USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 964 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 56 MET CE :methyl 150:sc= -1.62! (180deg=-2.99) USER MOD Set 1.2: A 123 MET CE :methyl 153:sc= -3.04 (180deg=-4.6!) USER MOD Set 1.3: A 133 TYR OH : rot 14:sc= -0.621 USER MOD Set 2.1: A 33 SER OG : rot -94:sc= 1.22 USER MOD Set 2.2: A 75 HIS : no HE2:sc= -0.968 K(o=0.25,f=-1.6!) USER MOD Set 3.1: A 26 TYR OH : rot 0:sc= 0.449 USER MOD Set 3.2: A 102 TYR OH : rot -90:sc= -1.27 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 25 SER OG : rot 166:sc= 0.0456 USER MOD Single : A 32 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=-0.00019) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 37 HIS : no HE2:sc= -1.99 K(o=-2,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 49:sc= -0.304 USER MOD Single : A 47 SER OG : rot 172:sc= 0 USER MOD Single : A 51 MET CE :methyl 155:sc= -0.132 (180deg=-0.927) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 SER OG : rot -87:sc= 0.0192 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= 0.0169 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 73 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.37) USER MOD Single : A 76 MET CE :methyl -127:sc= -0.11 (180deg=-2.09) USER MOD Single : A 83 GLN : amide:sc= 0.677 K(o=0.68,f=-0.38) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.833 K(o=-0.83,f=-5.5!) USER MOD Single : A 86 HIS : no HE2:sc= -0.719 K(o=-0.72,f=-2.6) USER MOD Single : A 87 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.73) USER MOD Single : A 91 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.9!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= -1.1 (180deg=-3.64!) USER MOD Single : A 95 ASN : amide:sc= -2.58! K(o=-2.6!,f=-1.5) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 103 LYS NZ :NH3+ -160:sc= -0.0489 (180deg=-0.675) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 172:sc= 0.459 (180deg=0.238) USER MOD Single : A 119 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.88!) USER MOD Single : A 135 SER OG : rot 74:sc= 0.0912 USER MOD Single : A 136 LYS NZ :NH3+ -115:sc= 0.403 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.767 14.891 1.949 1.00 1.00 N ATOM 309 CA LEU A 21 130.360 15.038 2.252 1.00 1.00 C ATOM 310 C LEU A 21 129.958 14.041 3.328 1.00 1.00 C ATOM 311 O LEU A 21 130.467 12.921 3.391 1.00 1.00 O ATOM 312 CB LEU A 21 129.527 14.828 0.994 1.00 1.00 C ATOM 313 CG LEU A 21 128.147 15.455 1.184 1.00 1.00 C ATOM 314 CD1 LEU A 21 128.174 16.921 0.744 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.131 14.703 0.336 1.00 1.00 C ATOM 0 HA LEU A 21 130.178 16.047 2.622 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.027 15.277 0.135 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.428 13.763 0.784 1.00 1.00 H new ATOM 0 HG LEU A 21 127.871 15.397 2.237 1.00 1.00 H new ATOM 0 HD11 LEU A 21 127.186 17.361 0.883 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.902 17.467 1.344 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.453 16.980 -0.308 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.145 15.148 0.469 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.417 14.764 -0.714 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.102 13.658 0.644 1.00 1.00 H new ATOM 327 N GLN A 22 129.044 14.486 4.176 1.00 1.00 N ATOM 328 CA GLN A 22 128.551 13.667 5.275 1.00 1.00 C ATOM 329 C GLN A 22 127.173 13.093 4.930 1.00 1.00 C ATOM 330 O GLN A 22 126.174 13.812 4.938 1.00 1.00 O ATOM 331 CB GLN A 22 128.467 14.541 6.523 1.00 1.00 C ATOM 332 CG GLN A 22 129.879 14.986 6.909 1.00 1.00 C ATOM 333 CD GLN A 22 129.829 15.931 8.104 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.767 16.141 8.688 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.922 16.525 8.503 1.00 1.00 N ATOM 0 H GLN A 22 128.626 15.415 4.124 1.00 1.00 H new ATOM 0 HA GLN A 22 129.228 12.831 5.453 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.836 15.409 6.334 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.009 13.987 7.342 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.488 14.115 7.151 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.355 15.483 6.064 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.803 16.351 8.019 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.895 17.163 9.299 1.00 1.00 H new ATOM 344 N TRP A 23 127.129 11.790 4.645 1.00 1.00 N ATOM 345 CA TRP A 23 125.866 11.125 4.315 1.00 1.00 C ATOM 346 C TRP A 23 125.079 10.810 5.588 1.00 1.00 C ATOM 347 O TRP A 23 125.636 10.392 6.603 1.00 1.00 O ATOM 348 CB TRP A 23 126.163 9.834 3.554 1.00 1.00 C ATOM 349 CG TRP A 23 127.160 10.126 2.481 1.00 1.00 C ATOM 350 CD1 TRP A 23 126.985 11.015 1.474 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.488 9.563 2.303 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.126 11.027 0.690 1.00 1.00 N ATOM 353 CE2 TRP A 23 129.077 10.149 1.160 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.229 8.607 3.015 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.357 9.804 0.739 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.522 8.253 2.596 1.00 1.00 C ATOM 357 CH2 TRP A 23 131.087 8.851 1.458 1.00 1.00 C ATOM 0 H TRP A 23 127.945 11.178 4.636 1.00 1.00 H new ATOM 0 HA TRP A 23 125.264 11.788 3.694 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.552 9.076 4.234 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.247 9.433 3.119 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.102 11.615 1.310 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.247 11.614 -0.135 1.00 1.00 H new ATOM 0 HE3 TRP A 23 128.802 8.141 3.891 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.785 10.269 -0.137 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 131.084 7.517 3.152 1.00 1.00 H new ATOM 0 HH2 TRP A 23 132.082 8.576 1.139 1.00 1.00 H new ATOM 368 N GLU A 24 123.767 11.009 5.495 1.00 1.00 N ATOM 369 CA GLU A 24 122.858 10.738 6.602 1.00 1.00 C ATOM 370 C GLU A 24 121.790 9.751 6.142 1.00 1.00 C ATOM 371 O GLU A 24 121.626 9.528 4.944 1.00 1.00 O ATOM 372 CB GLU A 24 122.197 12.039 7.064 1.00 1.00 C ATOM 373 CG GLU A 24 123.247 12.946 7.704 1.00 1.00 C ATOM 374 CD GLU A 24 122.615 14.269 8.118 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.414 14.407 7.952 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.341 15.127 8.592 1.00 1.00 O ATOM 0 H GLU A 24 123.307 11.361 4.655 1.00 1.00 H new ATOM 0 HA GLU A 24 123.416 10.311 7.435 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.733 12.544 6.217 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.404 11.822 7.780 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.682 12.454 8.574 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.060 13.127 7.001 1.00 1.00 H new ATOM 383 N SER A 25 121.064 9.162 7.087 1.00 1.00 N ATOM 384 CA SER A 25 120.029 8.222 6.711 1.00 1.00 C ATOM 385 C SER A 25 118.799 8.998 6.296 1.00 1.00 C ATOM 386 O SER A 25 118.672 10.183 6.597 1.00 1.00 O ATOM 387 CB SER A 25 119.686 7.280 7.863 1.00 1.00 C ATOM 388 OG SER A 25 118.702 7.889 8.678 1.00 1.00 O ATOM 0 H SER A 25 121.172 9.316 8.089 1.00 1.00 H new ATOM 0 HA SER A 25 120.390 7.612 5.883 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.319 6.330 7.476 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.578 7.062 8.450 1.00 1.00 H new ATOM 0 HG SER A 25 118.314 7.219 9.279 1.00 1.00 H new ATOM 394 N TYR A 26 117.896 8.329 5.617 1.00 1.00 N ATOM 395 CA TYR A 26 116.675 8.965 5.180 1.00 1.00 C ATOM 396 C TYR A 26 115.874 9.424 6.392 1.00 1.00 C ATOM 397 O TYR A 26 115.337 10.533 6.425 1.00 1.00 O ATOM 398 CB TYR A 26 115.860 7.970 4.364 1.00 1.00 C ATOM 399 CG TYR A 26 114.532 8.582 4.021 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.391 9.361 2.868 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.440 8.364 4.862 1.00 1.00 C ATOM 402 CE1 TYR A 26 113.150 9.923 2.556 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.198 8.924 4.553 1.00 1.00 C ATOM 404 CZ TYR A 26 112.053 9.705 3.398 1.00 1.00 C ATOM 405 OH TYR A 26 110.830 10.266 3.096 1.00 1.00 O ATOM 0 H TYR A 26 117.983 7.347 5.356 1.00 1.00 H new ATOM 0 HA TYR A 26 116.911 9.833 4.564 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.396 7.702 3.454 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.714 7.050 4.930 1.00 1.00 H new ATOM 0 HD1 TYR A 26 115.239 9.528 2.220 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.555 7.762 5.752 1.00 1.00 H new ATOM 0 HE1 TYR A 26 113.037 10.525 1.666 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.352 8.756 5.202 1.00 1.00 H new ATOM 0 HH TYR A 26 110.903 10.783 2.267 1.00 1.00 H new ATOM 415 N ALA A 27 115.812 8.541 7.379 1.00 1.00 N ATOM 416 CA ALA A 27 115.082 8.822 8.603 1.00 1.00 C ATOM 417 C ALA A 27 115.761 9.920 9.391 1.00 1.00 C ATOM 418 O ALA A 27 115.106 10.757 10.012 1.00 1.00 O ATOM 419 CB ALA A 27 114.986 7.559 9.460 1.00 1.00 C ATOM 0 H ALA A 27 116.259 7.625 7.354 1.00 1.00 H new ATOM 0 HA ALA A 27 114.079 9.153 8.334 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.437 7.781 10.375 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.464 6.780 8.903 1.00 1.00 H new ATOM 0 HB3 ALA A 27 115.988 7.214 9.713 1.00 1.00 H new ATOM 425 N GLU A 28 117.075 9.906 9.367 1.00 1.00 N ATOM 426 CA GLU A 28 117.857 10.889 10.087 1.00 1.00 C ATOM 427 C GLU A 28 117.741 12.264 9.453 1.00 1.00 C ATOM 428 O GLU A 28 117.676 13.276 10.152 1.00 1.00 O ATOM 429 CB GLU A 28 119.312 10.454 10.099 1.00 1.00 C ATOM 430 CG GLU A 28 119.499 9.313 11.100 1.00 1.00 C ATOM 431 CD GLU A 28 120.927 8.783 11.023 1.00 1.00 C ATOM 432 OE1 GLU A 28 121.713 9.358 10.288 1.00 1.00 O ATOM 433 OE2 GLU A 28 121.216 7.812 11.702 1.00 1.00 O ATOM 0 H GLU A 28 117.629 9.220 8.853 1.00 1.00 H new ATOM 0 HA GLU A 28 117.474 10.956 11.105 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.613 10.130 9.103 1.00 1.00 H new ATOM 0 HB3 GLU A 28 119.951 11.295 10.368 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.287 9.665 12.110 1.00 1.00 H new ATOM 0 HG3 GLU A 28 118.792 8.511 10.887 1.00 1.00 H new ATOM 440 N ALA A 29 117.726 12.302 8.130 1.00 1.00 N ATOM 441 CA ALA A 29 117.631 13.559 7.411 1.00 1.00 C ATOM 442 C ALA A 29 116.370 14.301 7.768 1.00 1.00 C ATOM 443 O ALA A 29 116.386 15.507 8.004 1.00 1.00 O ATOM 444 CB ALA A 29 117.575 13.279 5.922 1.00 1.00 C ATOM 0 H ALA A 29 117.778 11.476 7.534 1.00 1.00 H new ATOM 0 HA ALA A 29 118.500 14.159 7.679 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.504 14.220 5.377 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.478 12.751 5.617 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.703 12.664 5.700 1.00 1.00 H new ATOM 450 N LEU A 30 115.275 13.574 7.774 1.00 1.00 N ATOM 451 CA LEU A 30 114.004 14.176 8.071 1.00 1.00 C ATOM 452 C LEU A 30 113.990 14.658 9.501 1.00 1.00 C ATOM 453 O LEU A 30 113.507 15.741 9.793 1.00 1.00 O ATOM 454 CB LEU A 30 112.881 13.177 7.824 1.00 1.00 C ATOM 455 CG LEU A 30 112.773 12.880 6.333 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.179 11.495 6.173 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.834 13.887 5.655 1.00 1.00 C ATOM 0 H LEU A 30 115.243 12.574 7.578 1.00 1.00 H new ATOM 0 HA LEU A 30 113.848 15.032 7.415 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.073 12.256 8.375 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.937 13.578 8.194 1.00 1.00 H new ATOM 0 HG LEU A 30 113.761 12.947 5.877 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.091 11.257 5.113 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.826 10.763 6.656 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.192 11.467 6.635 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.767 13.662 4.591 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.843 13.819 6.103 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.225 14.896 5.789 1.00 1.00 H new ATOM 469 N GLU A 31 114.545 13.857 10.396 1.00 1.00 N ATOM 470 CA GLU A 31 114.586 14.216 11.783 1.00 1.00 C ATOM 471 C GLU A 31 115.291 15.526 11.954 1.00 1.00 C ATOM 472 O GLU A 31 114.840 16.400 12.677 1.00 1.00 O ATOM 473 CB GLU A 31 115.339 13.155 12.577 1.00 1.00 C ATOM 474 CG GLU A 31 114.340 12.295 13.321 1.00 1.00 C ATOM 475 CD GLU A 31 115.064 11.150 14.020 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.265 11.040 13.835 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.412 10.402 14.729 1.00 1.00 O ATOM 0 H GLU A 31 114.970 12.956 10.176 1.00 1.00 H new ATOM 0 HA GLU A 31 113.562 14.295 12.147 1.00 1.00 H new ATOM 0 HB2 GLU A 31 115.940 12.540 11.908 1.00 1.00 H new ATOM 0 HB3 GLU A 31 116.026 13.627 13.279 1.00 1.00 H new ATOM 0 HG2 GLU A 31 113.801 12.897 14.053 1.00 1.00 H new ATOM 0 HG3 GLU A 31 113.599 11.899 12.627 1.00 1.00 H new ATOM 484 N HIS A 32 116.410 15.646 11.279 1.00 1.00 N ATOM 485 CA HIS A 32 117.159 16.861 11.381 1.00 1.00 C ATOM 486 C HIS A 32 116.397 18.017 10.725 1.00 1.00 C ATOM 487 O HIS A 32 116.340 19.118 11.267 1.00 1.00 O ATOM 488 CB HIS A 32 118.544 16.704 10.747 1.00 1.00 C ATOM 489 CG HIS A 32 119.422 15.874 11.648 1.00 1.00 C ATOM 490 ND1 HIS A 32 120.777 15.701 11.405 1.00 1.00 N ATOM 491 CD2 HIS A 32 119.152 15.155 12.789 1.00 1.00 C ATOM 492 CE1 HIS A 32 121.267 14.907 12.375 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.319 14.545 13.244 1.00 1.00 N ATOM 0 H HIS A 32 116.809 14.932 10.669 1.00 1.00 H new ATOM 0 HA HIS A 32 117.294 17.089 12.438 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.456 16.229 9.770 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.994 17.683 10.586 1.00 1.00 H new ATOM 0 HD2 HIS A 32 118.183 15.075 13.260 1.00 1.00 H new ATOM 0 HE1 HIS A 32 122.300 14.600 12.443 1.00 1.00 H new ATOM 0 HE2 HIS A 32 120.427 13.949 14.065 1.00 1.00 H new ATOM 501 N SER A 33 115.819 17.758 9.547 1.00 1.00 N ATOM 502 CA SER A 33 115.073 18.777 8.810 1.00 1.00 C ATOM 503 C SER A 33 113.856 19.252 9.573 1.00 1.00 C ATOM 504 O SER A 33 113.519 20.432 9.542 1.00 1.00 O ATOM 505 CB SER A 33 114.635 18.235 7.459 1.00 1.00 C ATOM 506 OG SER A 33 115.796 17.942 6.712 1.00 1.00 O ATOM 0 H SER A 33 115.855 16.849 9.085 1.00 1.00 H new ATOM 0 HA SER A 33 115.742 19.626 8.673 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.027 17.339 7.586 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.019 18.967 6.936 1.00 1.00 H new ATOM 0 HG SER A 33 116.026 18.711 6.150 1.00 1.00 H new ATOM 512 N LYS A 34 113.207 18.344 10.281 1.00 1.00 N ATOM 513 CA LYS A 34 112.050 18.724 11.052 1.00 1.00 C ATOM 514 C LYS A 34 112.478 19.799 12.023 1.00 1.00 C ATOM 515 O LYS A 34 111.682 20.634 12.450 1.00 1.00 O ATOM 516 CB LYS A 34 111.510 17.528 11.832 1.00 1.00 C ATOM 517 CG LYS A 34 110.839 16.544 10.866 1.00 1.00 C ATOM 518 CD LYS A 34 110.627 15.191 11.562 1.00 1.00 C ATOM 519 CE LYS A 34 110.709 14.067 10.530 1.00 1.00 C ATOM 520 NZ LYS A 34 109.939 12.891 11.023 1.00 1.00 N ATOM 0 H LYS A 34 113.460 17.357 10.335 1.00 1.00 H new ATOM 0 HA LYS A 34 111.264 19.084 10.388 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.321 17.033 12.366 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.793 17.863 12.581 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.882 16.945 10.531 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.458 16.413 9.978 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.382 15.045 12.334 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.656 15.173 12.058 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.308 14.405 9.574 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.749 13.790 10.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 109.992 12.123 10.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.342 12.566 11.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.945 13.162 11.165 1.00 1.00 H new ATOM 534 N GLN A 35 113.746 19.716 12.414 1.00 1.00 N ATOM 535 CA GLN A 35 114.296 20.641 13.402 1.00 1.00 C ATOM 536 C GLN A 35 115.077 21.772 12.768 1.00 1.00 C ATOM 537 O GLN A 35 114.970 22.924 13.191 1.00 1.00 O ATOM 538 CB GLN A 35 115.241 19.885 14.332 1.00 1.00 C ATOM 539 CG GLN A 35 114.525 18.658 14.874 1.00 1.00 C ATOM 540 CD GLN A 35 115.470 17.818 15.736 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.599 18.230 16.005 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.073 16.655 16.188 1.00 1.00 N ATOM 0 H GLN A 35 114.409 19.023 12.065 1.00 1.00 H new ATOM 0 HA GLN A 35 113.451 21.066 13.943 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.141 19.589 13.794 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.557 20.529 15.152 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.662 18.966 15.465 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.147 18.056 14.047 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.138 16.313 15.965 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.699 16.091 16.763 1.00 1.00 H new ATOM 551 N ASP A 36 115.895 21.443 11.784 1.00 1.00 N ATOM 552 CA ASP A 36 116.733 22.444 11.141 1.00 1.00 C ATOM 553 C ASP A 36 116.094 23.034 9.891 1.00 1.00 C ATOM 554 O ASP A 36 116.473 24.121 9.456 1.00 1.00 O ATOM 555 CB ASP A 36 118.072 21.811 10.767 1.00 1.00 C ATOM 556 CG ASP A 36 118.834 21.423 12.028 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.393 21.796 13.103 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.850 20.761 11.900 1.00 1.00 O ATOM 0 H ASP A 36 115.998 20.498 11.414 1.00 1.00 H new ATOM 0 HA ASP A 36 116.869 23.259 11.852 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.907 20.930 10.146 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.662 22.511 10.176 1.00 1.00 H new ATOM 563 N HIS A 37 115.110 22.333 9.331 1.00 1.00 N ATOM 564 CA HIS A 37 114.399 22.806 8.150 1.00 1.00 C ATOM 565 C HIS A 37 115.270 22.777 6.897 1.00 1.00 C ATOM 566 O HIS A 37 114.916 23.360 5.873 1.00 1.00 O ATOM 567 CB HIS A 37 113.879 24.225 8.385 1.00 1.00 C ATOM 568 CG HIS A 37 113.350 24.335 9.792 1.00 1.00 C ATOM 569 ND1 HIS A 37 114.070 24.938 10.814 1.00 1.00 N ATOM 570 CD2 HIS A 37 112.169 23.925 10.359 1.00 1.00 C ATOM 571 CE1 HIS A 37 113.319 24.876 11.930 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.150 24.269 11.707 1.00 1.00 N ATOM 0 H HIS A 37 114.787 21.431 9.680 1.00 1.00 H new ATOM 0 HA HIS A 37 113.563 22.126 7.984 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.679 24.949 8.227 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.091 24.459 7.669 1.00 1.00 H new ATOM 0 HD1 HIS A 37 114.999 25.352 10.734 1.00 1.00 H new ATOM 0 HD2 HIS A 37 111.374 23.413 9.837 1.00 1.00 H new ATOM 0 HE1 HIS A 37 113.624 25.269 12.888 1.00 1.00 H new ATOM 580 N LYS A 38 116.418 22.109 6.986 1.00 1.00 N ATOM 581 CA LYS A 38 117.339 22.031 5.856 1.00 1.00 C ATOM 582 C LYS A 38 116.805 21.074 4.770 1.00 1.00 C ATOM 583 O LYS A 38 116.492 19.921 5.075 1.00 1.00 O ATOM 584 CB LYS A 38 118.688 21.523 6.363 1.00 1.00 C ATOM 585 CG LYS A 38 119.640 22.705 6.545 1.00 1.00 C ATOM 586 CD LYS A 38 120.942 22.214 7.175 1.00 1.00 C ATOM 587 CE LYS A 38 121.733 23.411 7.691 1.00 1.00 C ATOM 588 NZ LYS A 38 121.299 23.725 9.082 1.00 1.00 N ATOM 0 H LYS A 38 116.731 21.617 7.823 1.00 1.00 H new ATOM 0 HA LYS A 38 117.443 23.022 5.413 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.559 20.997 7.309 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.109 20.808 5.656 1.00 1.00 H new ATOM 0 HG2 LYS A 38 119.843 23.174 5.582 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.180 23.463 7.179 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.727 21.525 7.992 1.00 1.00 H new ATOM 0 HD3 LYS A 38 121.530 21.664 6.441 1.00 1.00 H new ATOM 0 HE2 LYS A 38 122.801 23.192 7.672 1.00 1.00 H new ATOM 0 HE3 LYS A 38 121.573 24.274 7.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 121.837 24.541 9.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 120.284 23.951 9.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 121.473 22.903 9.694 1.00 1.00 H new ATOM 602 N PRO A 39 116.705 21.493 3.516 1.00 1.00 N ATOM 603 CA PRO A 39 116.207 20.595 2.431 1.00 1.00 C ATOM 604 C PRO A 39 117.011 19.298 2.357 1.00 1.00 C ATOM 605 O PRO A 39 118.194 19.272 2.700 1.00 1.00 O ATOM 606 CB PRO A 39 116.378 21.397 1.138 1.00 1.00 C ATOM 607 CG PRO A 39 116.591 22.821 1.539 1.00 1.00 C ATOM 608 CD PRO A 39 117.032 22.837 3.000 1.00 1.00 C ATOM 0 HA PRO A 39 115.172 20.301 2.608 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.226 21.026 0.562 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.496 21.301 0.504 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.348 23.286 0.907 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.673 23.395 1.411 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.099 23.044 3.087 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.510 23.612 3.561 1.00 1.00 H new ATOM 616 N ILE A 40 116.357 18.225 1.920 1.00 1.00 N ATOM 617 CA ILE A 40 117.017 16.924 1.823 1.00 1.00 C ATOM 618 C ILE A 40 117.246 16.559 0.363 1.00 1.00 C ATOM 619 O ILE A 40 116.309 16.572 -0.431 1.00 1.00 O ATOM 620 CB ILE A 40 116.142 15.831 2.442 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.382 16.388 3.646 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.033 14.667 2.886 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.503 15.292 4.263 1.00 1.00 C ATOM 0 H ILE A 40 115.379 18.228 1.630 1.00 1.00 H new ATOM 0 HA ILE A 40 117.966 16.994 2.354 1.00 1.00 H new ATOM 0 HB ILE A 40 115.421 15.481 1.703 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.086 16.763 4.389 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.764 17.231 3.338 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.416 13.885 3.328 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.565 14.266 2.023 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.753 15.021 3.623 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.965 15.697 5.120 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.788 14.938 3.520 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.131 14.462 4.588 1.00 1.00 H new ATOM 635 N GLY A 41 118.476 16.193 0.023 1.00 1.00 N ATOM 636 CA GLY A 41 118.789 15.786 -1.335 1.00 1.00 C ATOM 637 C GLY A 41 118.960 14.270 -1.386 1.00 1.00 C ATOM 638 O GLY A 41 119.903 13.729 -0.806 1.00 1.00 O ATOM 0 H GLY A 41 119.267 16.171 0.667 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.992 16.096 -2.011 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.702 16.277 -1.672 1.00 1.00 H new ATOM 642 N LEU A 42 118.069 13.597 -2.113 1.00 1.00 N ATOM 643 CA LEU A 42 118.162 12.155 -2.261 1.00 1.00 C ATOM 644 C LEU A 42 118.849 11.851 -3.574 1.00 1.00 C ATOM 645 O LEU A 42 118.406 12.284 -4.640 1.00 1.00 O ATOM 646 CB LEU A 42 116.791 11.466 -2.304 1.00 1.00 C ATOM 647 CG LEU A 42 115.929 11.786 -1.081 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.715 13.288 -0.930 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.568 11.119 -1.272 1.00 1.00 C ATOM 0 H LEU A 42 117.284 14.027 -2.602 1.00 1.00 H new ATOM 0 HA LEU A 42 118.710 11.781 -1.396 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.263 11.774 -3.206 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.933 10.387 -2.371 1.00 1.00 H new ATOM 0 HG LEU A 42 116.435 11.419 -0.188 1.00 1.00 H new ATOM 0 HD11 LEU A 42 115.099 13.481 -0.052 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.679 13.783 -0.813 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.214 13.675 -1.817 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.934 11.333 -0.411 1.00 1.00 H new ATOM 0 HD22 LEU A 42 114.097 11.506 -2.175 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.701 10.041 -1.366 1.00 1.00 H new ATOM 661 N PHE A 43 119.937 11.123 -3.482 1.00 1.00 N ATOM 662 CA PHE A 43 120.708 10.766 -4.655 1.00 1.00 C ATOM 663 C PHE A 43 120.256 9.395 -5.160 1.00 1.00 C ATOM 664 O PHE A 43 120.619 8.370 -4.582 1.00 1.00 O ATOM 665 CB PHE A 43 122.183 10.744 -4.244 1.00 1.00 C ATOM 666 CG PHE A 43 123.099 10.718 -5.442 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.092 11.776 -6.360 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.991 9.649 -5.616 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.967 11.759 -7.450 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.869 9.641 -6.702 1.00 1.00 C ATOM 671 CZ PHE A 43 124.856 10.694 -7.619 1.00 1.00 C ATOM 0 H PHE A 43 120.312 10.764 -2.604 1.00 1.00 H new ATOM 0 HA PHE A 43 120.562 11.483 -5.463 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.404 11.622 -3.637 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.374 9.870 -3.622 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.411 12.604 -6.226 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.999 8.832 -4.910 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.956 12.570 -8.163 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.558 8.820 -6.833 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.534 10.685 -8.460 1.00 1.00 H new ATOM 681 N PHE A 44 119.491 9.369 -6.257 1.00 1.00 N ATOM 682 CA PHE A 44 119.024 8.116 -6.853 1.00 1.00 C ATOM 683 C PHE A 44 120.012 7.706 -7.932 1.00 1.00 C ATOM 684 O PHE A 44 120.239 8.463 -8.875 1.00 1.00 O ATOM 685 CB PHE A 44 117.637 8.305 -7.470 1.00 1.00 C ATOM 686 CG PHE A 44 116.600 8.328 -6.376 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.090 7.121 -5.885 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.143 9.547 -5.854 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.126 7.129 -4.871 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.177 9.553 -4.842 1.00 1.00 C ATOM 691 CZ PHE A 44 114.671 8.345 -4.349 1.00 1.00 C ATOM 0 H PHE A 44 119.182 10.206 -6.751 1.00 1.00 H new ATOM 0 HA PHE A 44 118.956 7.345 -6.085 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.603 9.235 -8.038 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.425 7.497 -8.170 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.441 6.183 -6.289 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.536 10.479 -6.232 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.733 6.197 -4.491 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.822 10.491 -4.441 1.00 1.00 H new ATOM 0 HZ PHE A 44 113.928 8.351 -3.565 1.00 1.00 H new ATOM 701 N THR A 45 120.610 6.521 -7.793 1.00 1.00 N ATOM 702 CA THR A 45 121.583 6.092 -8.794 1.00 1.00 C ATOM 703 C THR A 45 121.762 4.575 -8.923 1.00 1.00 C ATOM 704 O THR A 45 121.141 3.783 -8.215 1.00 1.00 O ATOM 705 CB THR A 45 122.941 6.720 -8.474 1.00 1.00 C ATOM 706 OG1 THR A 45 123.250 6.504 -7.104 1.00 1.00 O ATOM 707 CG2 THR A 45 122.904 8.224 -8.761 1.00 1.00 C ATOM 0 H THR A 45 120.446 5.866 -7.029 1.00 1.00 H new ATOM 0 HA THR A 45 121.184 6.429 -9.751 1.00 1.00 H new ATOM 0 HB THR A 45 123.705 6.258 -9.099 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.106 5.561 -6.881 1.00 1.00 H new ATOM 0 HG21 THR A 45 123.875 8.662 -8.530 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.673 8.388 -9.813 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.138 8.693 -8.144 1.00 1.00 H new ATOM 715 N GLY A 46 122.709 4.216 -9.794 1.00 1.00 N ATOM 716 CA GLY A 46 123.128 2.836 -10.026 1.00 1.00 C ATOM 717 C GLY A 46 124.649 2.844 -9.962 1.00 1.00 C ATOM 718 O GLY A 46 125.336 3.047 -10.964 1.00 1.00 O ATOM 0 H GLY A 46 123.214 4.892 -10.367 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.709 2.169 -9.273 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.780 2.480 -10.996 1.00 1.00 H new ATOM 722 N SER A 47 125.155 2.691 -8.751 1.00 1.00 N ATOM 723 CA SER A 47 126.586 2.758 -8.493 1.00 1.00 C ATOM 724 C SER A 47 127.455 1.848 -9.365 1.00 1.00 C ATOM 725 O SER A 47 128.584 2.223 -9.681 1.00 1.00 O ATOM 726 CB SER A 47 126.846 2.443 -7.020 1.00 1.00 C ATOM 727 OG SER A 47 126.094 3.336 -6.208 1.00 1.00 O ATOM 0 H SER A 47 124.589 2.517 -7.920 1.00 1.00 H new ATOM 0 HA SER A 47 126.881 3.775 -8.753 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.567 1.412 -6.802 1.00 1.00 H new ATOM 0 HB3 SER A 47 127.909 2.539 -6.798 1.00 1.00 H new ATOM 0 HG SER A 47 126.157 3.057 -5.271 1.00 1.00 H new ATOM 733 N ASP A 48 126.986 0.646 -9.719 1.00 1.00 N ATOM 734 CA ASP A 48 127.819 -0.270 -10.502 1.00 1.00 C ATOM 735 C ASP A 48 127.449 -0.380 -11.982 1.00 1.00 C ATOM 736 O ASP A 48 128.100 -1.150 -12.690 1.00 1.00 O ATOM 737 CB ASP A 48 127.745 -1.668 -9.890 1.00 1.00 C ATOM 738 CG ASP A 48 128.412 -1.676 -8.520 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.195 -0.777 -8.261 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.130 -2.579 -7.751 1.00 1.00 O ATOM 0 H ASP A 48 126.059 0.292 -9.483 1.00 1.00 H new ATOM 0 HA ASP A 48 128.823 0.153 -10.464 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.704 -1.979 -9.798 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.236 -2.387 -10.546 1.00 1.00 H new ATOM 745 N TRP A 49 126.391 0.297 -12.459 1.00 1.00 N ATOM 746 CA TRP A 49 126.008 0.108 -13.864 1.00 1.00 C ATOM 747 C TRP A 49 125.698 1.385 -14.645 1.00 1.00 C ATOM 748 O TRP A 49 125.798 1.367 -15.872 1.00 1.00 O ATOM 749 CB TRP A 49 124.801 -0.834 -13.944 1.00 1.00 C ATOM 750 CG TRP A 49 123.734 -0.420 -12.977 1.00 1.00 C ATOM 751 CD1 TRP A 49 123.872 -0.348 -11.630 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.352 -0.051 -13.264 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.676 0.060 -11.080 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.706 0.254 -12.042 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.606 0.054 -14.451 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.368 0.647 -11.999 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.260 0.449 -14.412 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.642 0.745 -13.187 1.00 1.00 C ATOM 0 H TRP A 49 125.814 0.946 -11.925 1.00 1.00 H new ATOM 0 HA TRP A 49 126.892 -0.316 -14.341 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.400 -0.832 -14.957 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.117 -1.855 -13.728 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.772 -0.574 -11.078 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.526 0.202 -10.081 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.072 -0.171 -15.399 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 119.898 0.874 -11.054 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.696 0.526 -15.330 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.606 1.048 -13.164 1.00 1.00 H new ATOM 769 N CYS A 50 125.341 2.483 -13.989 1.00 1.00 N ATOM 770 CA CYS A 50 125.047 3.716 -14.722 1.00 1.00 C ATOM 771 C CYS A 50 126.228 4.689 -14.615 1.00 1.00 C ATOM 772 O CYS A 50 126.504 5.245 -13.555 1.00 1.00 O ATOM 773 CB CYS A 50 123.743 4.335 -14.200 1.00 1.00 C ATOM 774 SG CYS A 50 123.883 4.718 -12.442 1.00 1.00 S ATOM 0 H CYS A 50 125.249 2.550 -12.975 1.00 1.00 H new ATOM 0 HA CYS A 50 124.906 3.489 -15.779 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.516 5.243 -14.759 1.00 1.00 H new ATOM 0 HB3 CYS A 50 122.915 3.645 -14.363 1.00 1.00 H new ATOM 779 N MET A 51 126.941 4.847 -15.730 1.00 1.00 N ATOM 780 CA MET A 51 128.125 5.700 -15.792 1.00 1.00 C ATOM 781 C MET A 51 127.793 7.163 -15.578 1.00 1.00 C ATOM 782 O MET A 51 128.571 7.894 -14.966 1.00 1.00 O ATOM 783 CB MET A 51 128.814 5.536 -17.151 1.00 1.00 C ATOM 784 CG MET A 51 130.122 6.337 -17.173 1.00 1.00 C ATOM 785 SD MET A 51 130.971 6.062 -18.750 1.00 1.00 S ATOM 786 CE MET A 51 129.778 6.899 -19.827 1.00 1.00 C ATOM 0 H MET A 51 126.714 4.388 -16.612 1.00 1.00 H new ATOM 0 HA MET A 51 128.789 5.386 -14.987 1.00 1.00 H new ATOM 0 HB2 MET A 51 129.019 4.482 -17.340 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.154 5.879 -17.947 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.913 7.399 -17.040 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.762 6.032 -16.345 1.00 1.00 H new ATOM 0 HE1 MET A 51 130.281 7.237 -20.733 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.979 6.207 -20.092 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.356 7.757 -19.304 1.00 1.00 H new ATOM 796 N TRP A 52 126.648 7.603 -16.075 1.00 1.00 N ATOM 797 CA TRP A 52 126.259 8.987 -15.913 1.00 1.00 C ATOM 798 C TRP A 52 126.184 9.305 -14.430 1.00 1.00 C ATOM 799 O TRP A 52 126.428 10.435 -14.006 1.00 1.00 O ATOM 800 CB TRP A 52 124.903 9.244 -16.575 1.00 1.00 C ATOM 801 CG TRP A 52 125.061 9.237 -18.063 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.754 10.155 -18.776 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.535 8.281 -19.030 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.687 9.823 -20.118 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.948 8.677 -20.326 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.748 7.121 -18.913 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.594 7.947 -21.463 1.00 1.00 C ATOM 808 CZ3 TRP A 52 123.389 6.385 -20.057 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.812 6.797 -21.326 1.00 1.00 C ATOM 0 H TRP A 52 125.981 7.026 -16.588 1.00 1.00 H new ATOM 0 HA TRP A 52 126.998 9.629 -16.392 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.188 8.479 -16.272 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.502 10.203 -16.246 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.274 11.007 -18.365 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.130 10.361 -20.863 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.417 6.793 -17.939 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.922 8.269 -22.440 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.783 5.497 -19.955 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.534 6.226 -22.200 1.00 1.00 H new ATOM 820 N CYS A 53 125.859 8.294 -13.646 1.00 1.00 N ATOM 821 CA CYS A 53 125.773 8.476 -12.211 1.00 1.00 C ATOM 822 C CYS A 53 127.143 8.747 -11.639 1.00 1.00 C ATOM 823 O CYS A 53 127.314 9.624 -10.791 1.00 1.00 O ATOM 824 CB CYS A 53 125.213 7.232 -11.546 1.00 1.00 C ATOM 825 SG CYS A 53 123.685 6.721 -12.357 1.00 1.00 S ATOM 0 H CYS A 53 125.653 7.350 -13.974 1.00 1.00 H new ATOM 0 HA CYS A 53 125.112 9.322 -12.020 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.945 6.426 -11.593 1.00 1.00 H new ATOM 0 HB3 CYS A 53 125.024 7.429 -10.491 1.00 1.00 H new ATOM 830 N ILE A 54 128.128 8.007 -12.124 1.00 1.00 N ATOM 831 CA ILE A 54 129.476 8.202 -11.660 1.00 1.00 C ATOM 832 C ILE A 54 129.892 9.619 -11.986 1.00 1.00 C ATOM 833 O ILE A 54 130.449 10.318 -11.144 1.00 1.00 O ATOM 834 CB ILE A 54 130.423 7.218 -12.340 1.00 1.00 C ATOM 835 CG1 ILE A 54 130.091 5.791 -11.875 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.860 7.568 -11.967 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.866 4.766 -12.710 1.00 1.00 C ATOM 0 H ILE A 54 128.014 7.278 -12.828 1.00 1.00 H new ATOM 0 HA ILE A 54 129.521 8.031 -10.584 1.00 1.00 H new ATOM 0 HB ILE A 54 130.308 7.277 -13.422 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.343 5.677 -10.821 1.00 1.00 H new ATOM 0 HG13 ILE A 54 129.020 5.611 -11.968 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.542 6.868 -12.450 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.085 8.582 -12.298 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.981 7.505 -10.886 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.621 3.760 -12.370 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.593 4.871 -13.760 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.936 4.938 -12.595 1.00 1.00 H new ATOM 849 N LYS A 55 129.626 10.047 -13.223 1.00 1.00 N ATOM 850 CA LYS A 55 129.990 11.380 -13.664 1.00 1.00 C ATOM 851 C LYS A 55 129.360 12.450 -12.787 1.00 1.00 C ATOM 852 O LYS A 55 130.042 13.382 -12.364 1.00 1.00 O ATOM 853 CB LYS A 55 129.547 11.583 -15.115 1.00 1.00 C ATOM 854 CG LYS A 55 130.230 10.563 -16.039 1.00 1.00 C ATOM 855 CD LYS A 55 131.745 10.804 -16.083 1.00 1.00 C ATOM 856 CE LYS A 55 132.328 10.140 -17.333 1.00 1.00 C ATOM 857 NZ LYS A 55 133.790 10.423 -17.412 1.00 1.00 N ATOM 0 H LYS A 55 129.159 9.482 -13.932 1.00 1.00 H new ATOM 0 HA LYS A 55 131.073 11.474 -13.588 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.464 11.479 -15.188 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.793 12.595 -15.437 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.027 9.552 -15.686 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.815 10.639 -17.044 1.00 1.00 H new ATOM 0 HD2 LYS A 55 131.954 11.874 -16.095 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.216 10.397 -15.188 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.157 9.064 -17.299 1.00 1.00 H new ATOM 0 HE3 LYS A 55 131.826 10.515 -18.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.186 9.972 -18.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 133.942 11.451 -17.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.263 10.044 -16.567 1.00 1.00 H new ATOM 871 N MET A 56 128.061 12.338 -12.511 1.00 1.00 N ATOM 872 CA MET A 56 127.408 13.331 -11.683 1.00 1.00 C ATOM 873 C MET A 56 128.020 13.310 -10.302 1.00 1.00 C ATOM 874 O MET A 56 128.293 14.348 -9.700 1.00 1.00 O ATOM 875 CB MET A 56 125.908 13.065 -11.580 1.00 1.00 C ATOM 876 CG MET A 56 125.268 14.184 -10.751 1.00 1.00 C ATOM 877 SD MET A 56 123.482 13.935 -10.648 1.00 1.00 S ATOM 878 CE MET A 56 123.193 15.162 -9.353 1.00 1.00 C ATOM 0 H MET A 56 127.458 11.585 -12.843 1.00 1.00 H new ATOM 0 HA MET A 56 127.550 14.309 -12.142 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.461 13.028 -12.574 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.727 12.097 -11.113 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.699 14.198 -9.750 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.483 15.152 -11.204 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.194 15.583 -9.467 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.277 14.686 -8.376 1.00 1.00 H new ATOM 0 HE3 MET A 56 123.933 15.958 -9.434 1.00 1.00 H new ATOM 888 N GLN A 57 128.221 12.099 -9.804 1.00 1.00 N ATOM 889 CA GLN A 57 128.788 11.905 -8.493 1.00 1.00 C ATOM 890 C GLN A 57 130.243 12.356 -8.467 1.00 1.00 C ATOM 891 O GLN A 57 130.653 13.079 -7.560 1.00 1.00 O ATOM 892 CB GLN A 57 128.678 10.426 -8.118 1.00 1.00 C ATOM 893 CG GLN A 57 129.745 10.078 -7.095 1.00 1.00 C ATOM 894 CD GLN A 57 129.380 8.788 -6.371 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.204 8.528 -6.111 1.00 1.00 O ATOM 896 NE2 GLN A 57 130.323 7.952 -6.038 1.00 1.00 N ATOM 0 H GLN A 57 127.996 11.235 -10.298 1.00 1.00 H new ATOM 0 HA GLN A 57 128.239 12.506 -7.768 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.689 10.216 -7.712 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.796 9.806 -9.006 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.710 9.965 -7.589 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.848 10.890 -6.376 1.00 1.00 H new ATOM 0 HE21 GLN A 57 131.296 8.168 -6.254 1.00 1.00 H new ATOM 0 HE22 GLN A 57 130.088 7.081 -5.562 1.00 1.00 H new ATOM 905 N ASP A 58 131.020 11.936 -9.448 1.00 1.00 N ATOM 906 CA ASP A 58 132.434 12.305 -9.486 1.00 1.00 C ATOM 907 C ASP A 58 132.644 13.791 -9.783 1.00 1.00 C ATOM 908 O ASP A 58 133.581 14.391 -9.258 1.00 1.00 O ATOM 909 CB ASP A 58 133.159 11.468 -10.544 1.00 1.00 C ATOM 910 CG ASP A 58 134.658 11.745 -10.493 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.053 12.614 -9.735 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.389 11.076 -11.203 1.00 1.00 O ATOM 0 H ASP A 58 130.708 11.348 -10.221 1.00 1.00 H new ATOM 0 HA ASP A 58 132.845 12.106 -8.496 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.971 10.408 -10.372 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.771 11.704 -11.535 1.00 1.00 H new ATOM 917 N GLN A 59 131.822 14.378 -10.647 1.00 1.00 N ATOM 918 CA GLN A 59 132.027 15.784 -10.999 1.00 1.00 C ATOM 919 C GLN A 59 131.247 16.786 -10.148 1.00 1.00 C ATOM 920 O GLN A 59 131.668 17.937 -10.060 1.00 1.00 O ATOM 921 CB GLN A 59 131.670 16.016 -12.466 1.00 1.00 C ATOM 922 CG GLN A 59 132.678 15.298 -13.362 1.00 1.00 C ATOM 923 CD GLN A 59 132.282 15.464 -14.826 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.269 16.099 -15.129 1.00 1.00 O ATOM 925 NE2 GLN A 59 133.032 14.942 -15.757 1.00 1.00 N ATOM 0 H GLN A 59 131.032 13.923 -11.105 1.00 1.00 H new ATOM 0 HA GLN A 59 133.084 15.967 -10.804 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.664 15.649 -12.668 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.670 17.084 -12.686 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.677 15.703 -13.198 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.717 14.240 -13.105 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.869 14.417 -15.503 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.781 15.058 -16.739 1.00 1.00 H new ATOM 934 N ILE A 60 130.109 16.399 -9.564 1.00 1.00 N ATOM 935 CA ILE A 60 129.324 17.372 -8.787 1.00 1.00 C ATOM 936 C ILE A 60 129.258 17.044 -7.298 1.00 1.00 C ATOM 937 O ILE A 60 129.601 17.892 -6.480 1.00 1.00 O ATOM 938 CB ILE A 60 127.897 17.464 -9.345 1.00 1.00 C ATOM 939 CG1 ILE A 60 127.947 17.953 -10.797 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.079 18.458 -8.510 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.566 17.802 -11.440 1.00 1.00 C ATOM 0 H ILE A 60 129.719 15.457 -9.608 1.00 1.00 H new ATOM 0 HA ILE A 60 129.839 18.328 -8.886 1.00 1.00 H new ATOM 0 HB ILE A 60 127.431 16.480 -9.302 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.262 18.996 -10.829 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.685 17.380 -11.359 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.066 18.521 -8.909 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.041 18.119 -7.475 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.548 19.441 -8.553 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.605 18.151 -12.472 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.269 16.753 -11.422 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.839 18.394 -10.884 1.00 1.00 H new ATOM 953 N LEU A 61 128.798 15.862 -6.920 1.00 1.00 N ATOM 954 CA LEU A 61 128.681 15.542 -5.498 1.00 1.00 C ATOM 955 C LEU A 61 130.032 15.594 -4.789 1.00 1.00 C ATOM 956 O LEU A 61 130.119 16.048 -3.648 1.00 1.00 O ATOM 957 CB LEU A 61 128.087 14.146 -5.275 1.00 1.00 C ATOM 958 CG LEU A 61 126.587 14.096 -5.639 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.738 14.806 -4.581 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.328 14.769 -6.976 1.00 1.00 C ATOM 0 H LEU A 61 128.505 15.121 -7.557 1.00 1.00 H new ATOM 0 HA LEU A 61 128.016 16.299 -5.081 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.632 13.419 -5.877 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.218 13.858 -4.232 1.00 1.00 H new ATOM 0 HG LEU A 61 126.311 13.043 -5.691 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.687 14.755 -4.864 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.878 14.320 -3.616 1.00 1.00 H new ATOM 0 HD13 LEU A 61 126.044 15.850 -4.509 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.264 14.720 -7.208 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.640 15.812 -6.925 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.894 14.259 -7.756 1.00 1.00 H new ATOM 972 N GLN A 62 131.080 15.092 -5.443 1.00 1.00 N ATOM 973 CA GLN A 62 132.407 15.057 -4.834 1.00 1.00 C ATOM 974 C GLN A 62 133.198 16.340 -5.098 1.00 1.00 C ATOM 975 O GLN A 62 134.359 16.444 -4.703 1.00 1.00 O ATOM 976 CB GLN A 62 133.192 13.869 -5.390 1.00 1.00 C ATOM 977 CG GLN A 62 132.541 12.560 -4.938 1.00 1.00 C ATOM 978 CD GLN A 62 133.249 11.378 -5.591 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.232 11.562 -6.309 1.00 1.00 O ATOM 980 NE2 GLN A 62 132.805 10.170 -5.384 1.00 1.00 N ATOM 0 H GLN A 62 131.036 14.707 -6.387 1.00 1.00 H new ATOM 0 HA GLN A 62 132.269 14.961 -3.757 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.218 13.916 -6.479 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.225 13.910 -5.045 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.594 12.473 -3.853 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.485 12.557 -5.207 1.00 1.00 H new ATOM 0 HE21 GLN A 62 131.990 10.021 -4.789 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.272 9.374 -5.817 1.00 1.00 H new ATOM 989 N SER A 63 132.577 17.308 -5.769 1.00 1.00 N ATOM 990 CA SER A 63 133.246 18.573 -6.080 1.00 1.00 C ATOM 991 C SER A 63 133.268 19.498 -4.869 1.00 1.00 C ATOM 992 O SER A 63 132.405 19.412 -3.999 1.00 1.00 O ATOM 993 CB SER A 63 132.530 19.268 -7.232 1.00 1.00 C ATOM 994 OG SER A 63 133.062 20.575 -7.394 1.00 1.00 O ATOM 0 H SER A 63 131.617 17.243 -6.107 1.00 1.00 H new ATOM 0 HA SER A 63 134.274 18.349 -6.363 1.00 1.00 H new ATOM 0 HB2 SER A 63 132.654 18.696 -8.151 1.00 1.00 H new ATOM 0 HB3 SER A 63 131.460 19.321 -7.032 1.00 1.00 H new ATOM 0 HG SER A 63 132.584 21.198 -6.807 1.00 1.00 H new ATOM 1000 N SER A 64 134.279 20.356 -4.794 1.00 1.00 N ATOM 1001 CA SER A 64 134.440 21.255 -3.655 1.00 1.00 C ATOM 1002 C SER A 64 133.236 22.178 -3.445 1.00 1.00 C ATOM 1003 O SER A 64 132.785 22.355 -2.314 1.00 1.00 O ATOM 1004 CB SER A 64 135.698 22.101 -3.862 1.00 1.00 C ATOM 1005 OG SER A 64 135.902 22.928 -2.726 1.00 1.00 O ATOM 0 H SER A 64 135.001 20.449 -5.509 1.00 1.00 H new ATOM 0 HA SER A 64 134.525 20.636 -2.762 1.00 1.00 H new ATOM 0 HB2 SER A 64 136.563 21.455 -4.016 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.594 22.714 -4.758 1.00 1.00 H new ATOM 0 HG SER A 64 136.708 23.470 -2.856 1.00 1.00 H new ATOM 1011 N GLU A 65 132.728 22.780 -4.515 1.00 1.00 N ATOM 1012 CA GLU A 65 131.600 23.697 -4.399 1.00 1.00 C ATOM 1013 C GLU A 65 130.341 23.010 -3.865 1.00 1.00 C ATOM 1014 O GLU A 65 129.658 23.552 -2.999 1.00 1.00 O ATOM 1015 CB GLU A 65 131.289 24.278 -5.782 1.00 1.00 C ATOM 1016 CG GLU A 65 132.464 25.121 -6.283 1.00 1.00 C ATOM 1017 CD GLU A 65 133.524 24.225 -6.919 1.00 1.00 C ATOM 1018 OE1 GLU A 65 133.394 23.015 -6.822 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.460 24.766 -7.481 1.00 1.00 O ATOM 0 H GLU A 65 133.076 22.651 -5.465 1.00 1.00 H new ATOM 0 HA GLU A 65 131.882 24.477 -3.692 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.086 23.470 -6.486 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.389 24.891 -5.732 1.00 1.00 H new ATOM 0 HG2 GLU A 65 132.112 25.852 -7.010 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.899 25.680 -5.454 1.00 1.00 H new ATOM 1026 N PHE A 66 130.039 21.823 -4.379 1.00 1.00 N ATOM 1027 CA PHE A 66 128.859 21.080 -3.936 1.00 1.00 C ATOM 1028 C PHE A 66 128.978 20.667 -2.477 1.00 1.00 C ATOM 1029 O PHE A 66 128.018 20.770 -1.715 1.00 1.00 O ATOM 1030 CB PHE A 66 128.688 19.816 -4.772 1.00 1.00 C ATOM 1031 CG PHE A 66 127.356 19.175 -4.459 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.197 18.390 -3.305 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.274 19.361 -5.329 1.00 1.00 C ATOM 1034 CE1 PHE A 66 125.958 17.796 -3.028 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.040 18.768 -5.050 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.881 17.986 -3.902 1.00 1.00 C ATOM 0 H PHE A 66 130.589 21.355 -5.099 1.00 1.00 H new ATOM 0 HA PHE A 66 127.999 21.739 -4.056 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.745 20.060 -5.833 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.497 19.117 -4.562 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.029 18.244 -2.632 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.394 19.964 -6.217 1.00 1.00 H new ATOM 0 HE1 PHE A 66 125.834 17.192 -2.141 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.208 18.914 -5.722 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.926 17.528 -3.689 1.00 1.00 H new ATOM 1046 N LYS A 67 130.151 20.163 -2.109 1.00 1.00 N ATOM 1047 CA LYS A 67 130.362 19.697 -0.758 1.00 1.00 C ATOM 1048 C LYS A 67 130.213 20.829 0.228 1.00 1.00 C ATOM 1049 O LYS A 67 129.599 20.665 1.283 1.00 1.00 O ATOM 1050 CB LYS A 67 131.744 19.063 -0.614 1.00 1.00 C ATOM 1051 CG LYS A 67 131.778 17.721 -1.357 1.00 1.00 C ATOM 1052 CD LYS A 67 133.107 17.007 -1.076 1.00 1.00 C ATOM 1053 CE LYS A 67 134.254 17.708 -1.816 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.466 16.838 -1.797 1.00 1.00 N ATOM 0 H LYS A 67 130.958 20.070 -2.726 1.00 1.00 H new ATOM 0 HA LYS A 67 129.605 18.943 -0.543 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.505 19.732 -1.016 1.00 1.00 H new ATOM 0 HB3 LYS A 67 131.977 18.912 0.440 1.00 1.00 H new ATOM 0 HG2 LYS A 67 130.944 17.096 -1.037 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.662 17.885 -2.428 1.00 1.00 H new ATOM 0 HD2 LYS A 67 133.306 17.002 -0.004 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.043 15.966 -1.393 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.962 17.919 -2.845 1.00 1.00 H new ATOM 0 HE3 LYS A 67 134.474 18.666 -1.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 136.307 17.419 -1.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.366 16.119 -1.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.571 16.368 -2.719 1.00 1.00 H new ATOM 1068 N HIS A 68 130.782 21.983 -0.097 1.00 1.00 N ATOM 1069 CA HIS A 68 130.704 23.111 0.796 1.00 1.00 C ATOM 1070 C HIS A 68 129.278 23.588 0.918 1.00 1.00 C ATOM 1071 O HIS A 68 128.795 23.852 2.019 1.00 1.00 O ATOM 1072 CB HIS A 68 131.558 24.264 0.280 1.00 1.00 C ATOM 1073 CG HIS A 68 131.500 25.397 1.264 1.00 1.00 C ATOM 1074 ND1 HIS A 68 132.007 25.287 2.550 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.999 26.673 1.168 1.00 1.00 C ATOM 1076 CE1 HIS A 68 131.803 26.464 3.171 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.193 27.344 2.373 1.00 1.00 N ATOM 0 H HIS A 68 131.294 22.153 -0.963 1.00 1.00 H new ATOM 0 HA HIS A 68 131.072 22.789 1.770 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.589 23.937 0.144 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.196 24.593 -0.694 1.00 1.00 H new ATOM 0 HD2 HIS A 68 130.527 27.092 0.292 1.00 1.00 H new ATOM 0 HE1 HIS A 68 132.097 26.671 4.189 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.926 28.302 2.598 1.00 1.00 H new ATOM 1085 N PHE A 69 128.607 23.714 -0.220 1.00 1.00 N ATOM 1086 CA PHE A 69 127.246 24.183 -0.233 1.00 1.00 C ATOM 1087 C PHE A 69 126.347 23.247 0.551 1.00 1.00 C ATOM 1088 O PHE A 69 125.535 23.680 1.365 1.00 1.00 O ATOM 1089 CB PHE A 69 126.744 24.277 -1.672 1.00 1.00 C ATOM 1090 CG PHE A 69 125.292 24.682 -1.655 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.924 25.937 -1.158 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.313 23.799 -2.124 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.574 26.308 -1.126 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.967 24.171 -2.095 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.595 25.423 -1.595 1.00 1.00 C ATOM 0 H PHE A 69 128.991 23.496 -1.139 1.00 1.00 H new ATOM 0 HA PHE A 69 127.219 25.168 0.232 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.332 25.005 -2.230 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.862 23.318 -2.176 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.681 26.619 -0.799 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.598 22.831 -2.508 1.00 1.00 H new ATOM 0 HE1 PHE A 69 123.288 27.275 -0.740 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.212 23.490 -2.459 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.553 25.707 -1.571 1.00 1.00 H new ATOM 1105 N ALA A 70 126.462 21.961 0.252 1.00 1.00 N ATOM 1106 CA ALA A 70 125.628 20.954 0.872 1.00 1.00 C ATOM 1107 C ALA A 70 125.903 20.782 2.362 1.00 1.00 C ATOM 1108 O ALA A 70 124.981 20.528 3.137 1.00 1.00 O ATOM 1109 CB ALA A 70 125.809 19.621 0.148 1.00 1.00 C ATOM 0 H ALA A 70 127.132 21.593 -0.423 1.00 1.00 H new ATOM 0 HA ALA A 70 124.597 21.295 0.784 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.180 18.864 0.617 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.523 19.733 -0.898 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.853 19.313 0.208 1.00 1.00 H new ATOM 1115 N GLY A 71 127.158 20.908 2.765 1.00 1.00 N ATOM 1116 CA GLY A 71 127.494 20.745 4.168 1.00 1.00 C ATOM 1117 C GLY A 71 126.849 21.839 4.995 1.00 1.00 C ATOM 1118 O GLY A 71 126.449 21.618 6.139 1.00 1.00 O ATOM 0 H GLY A 71 127.946 21.119 2.153 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.158 19.769 4.518 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.576 20.774 4.295 1.00 1.00 H new ATOM 1122 N VAL A 72 126.780 23.030 4.421 1.00 1.00 N ATOM 1123 CA VAL A 72 126.222 24.170 5.109 1.00 1.00 C ATOM 1124 C VAL A 72 124.697 24.271 4.961 1.00 1.00 C ATOM 1125 O VAL A 72 124.015 24.640 5.920 1.00 1.00 O ATOM 1126 CB VAL A 72 126.897 25.441 4.584 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.002 26.646 4.832 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.228 25.654 5.306 1.00 1.00 C ATOM 0 H VAL A 72 127.107 23.227 3.475 1.00 1.00 H new ATOM 0 HA VAL A 72 126.415 24.047 6.175 1.00 1.00 H new ATOM 0 HB VAL A 72 127.070 25.330 3.514 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.490 27.545 4.456 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.052 26.506 4.317 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.822 26.752 5.902 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.705 26.559 4.930 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.049 25.756 6.376 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.880 24.799 5.127 1.00 1.00 H new ATOM 1138 N HIS A 73 124.164 24.049 3.751 1.00 1.00 N ATOM 1139 CA HIS A 73 122.728 24.236 3.509 1.00 1.00 C ATOM 1140 C HIS A 73 121.890 22.975 3.303 1.00 1.00 C ATOM 1141 O HIS A 73 120.674 23.114 3.162 1.00 1.00 O ATOM 1142 CB HIS A 73 122.546 25.129 2.283 1.00 1.00 C ATOM 1143 CG HIS A 73 122.911 26.541 2.640 1.00 1.00 C ATOM 1144 ND1 HIS A 73 122.312 27.212 3.695 1.00 1.00 N ATOM 1145 CD2 HIS A 73 123.810 27.424 2.094 1.00 1.00 C ATOM 1146 CE1 HIS A 73 122.853 28.442 3.753 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.771 28.624 2.798 1.00 1.00 N ATOM 0 H HIS A 73 124.697 23.744 2.936 1.00 1.00 H new ATOM 0 HA HIS A 73 122.356 24.677 4.434 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.173 24.775 1.464 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.514 25.084 1.936 1.00 1.00 H new ATOM 0 HD2 HIS A 73 124.449 27.219 1.248 1.00 1.00 H new ATOM 0 HE1 HIS A 73 122.579 29.191 4.482 1.00 1.00 H new ATOM 0 HE2 HIS A 73 124.324 29.463 2.623 1.00 1.00 H new ATOM 1155 N LEU A 74 122.465 21.772 3.214 1.00 1.00 N ATOM 1156 CA LEU A 74 121.602 20.614 2.940 1.00 1.00 C ATOM 1157 C LEU A 74 121.917 19.352 3.718 1.00 1.00 C ATOM 1158 O LEU A 74 123.002 19.191 4.275 1.00 1.00 O ATOM 1159 CB LEU A 74 121.649 20.261 1.454 1.00 1.00 C ATOM 1160 CG LEU A 74 120.967 21.348 0.617 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.012 22.334 0.110 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.275 20.692 -0.571 1.00 1.00 C ATOM 0 H LEU A 74 123.460 21.576 3.319 1.00 1.00 H new ATOM 0 HA LEU A 74 120.615 20.944 3.266 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.685 20.146 1.135 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.156 19.303 1.287 1.00 1.00 H new ATOM 0 HG LEU A 74 120.237 21.880 1.228 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.525 23.106 -0.485 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.519 22.795 0.958 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.741 21.807 -0.506 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.786 21.456 -1.175 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.013 20.168 -1.178 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.530 19.982 -0.212 1.00 1.00 H new ATOM 1174 N HIS A 75 120.978 18.425 3.649 1.00 1.00 N ATOM 1175 CA HIS A 75 121.130 17.109 4.232 1.00 1.00 C ATOM 1176 C HIS A 75 121.152 16.155 3.047 1.00 1.00 C ATOM 1177 O HIS A 75 120.232 16.187 2.230 1.00 1.00 O ATOM 1178 CB HIS A 75 119.957 16.781 5.157 1.00 1.00 C ATOM 1179 CG HIS A 75 120.190 17.382 6.517 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.388 17.233 7.200 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.381 18.123 7.341 1.00 1.00 C ATOM 1182 CE1 HIS A 75 121.265 17.871 8.379 1.00 1.00 C ATOM 1183 NE2 HIS A 75 120.061 18.430 8.516 1.00 1.00 N ATOM 0 H HIS A 75 120.082 18.568 3.182 1.00 1.00 H new ATOM 0 HA HIS A 75 122.032 17.038 4.839 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.030 17.168 4.733 1.00 1.00 H new ATOM 0 HB3 HIS A 75 119.842 15.700 5.243 1.00 1.00 H new ATOM 0 HD1 HIS A 75 122.212 16.731 6.869 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.369 18.423 7.112 1.00 1.00 H new ATOM 0 HE1 HIS A 75 122.046 17.924 9.123 1.00 1.00 H new ATOM 1191 N MET A 76 122.194 15.339 2.915 1.00 1.00 N ATOM 1192 CA MET A 76 122.275 14.434 1.768 1.00 1.00 C ATOM 1193 C MET A 76 121.962 12.998 2.155 1.00 1.00 C ATOM 1194 O MET A 76 122.412 12.499 3.189 1.00 1.00 O ATOM 1195 CB MET A 76 123.661 14.507 1.122 1.00 1.00 C ATOM 1196 CG MET A 76 123.714 13.528 -0.057 1.00 1.00 C ATOM 1197 SD MET A 76 124.567 14.294 -1.463 1.00 1.00 S ATOM 1198 CE MET A 76 123.272 15.464 -1.958 1.00 1.00 C ATOM 0 H MET A 76 122.976 15.283 3.568 1.00 1.00 H new ATOM 0 HA MET A 76 121.523 14.759 1.049 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.863 15.521 0.778 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.431 14.258 1.853 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.232 12.616 0.240 1.00 1.00 H new ATOM 0 HG3 MET A 76 122.703 13.240 -0.347 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.053 15.337 -3.018 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.370 15.276 -1.376 1.00 1.00 H new ATOM 0 HE3 MET A 76 123.614 16.483 -1.777 1.00 1.00 H new ATOM 1208 N VAL A 77 121.188 12.339 1.298 1.00 1.00 N ATOM 1209 CA VAL A 77 120.814 10.956 1.517 1.00 1.00 C ATOM 1210 C VAL A 77 121.180 10.167 0.275 1.00 1.00 C ATOM 1211 O VAL A 77 120.856 10.559 -0.845 1.00 1.00 O ATOM 1212 CB VAL A 77 119.312 10.855 1.791 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.875 9.387 1.798 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.009 11.485 3.151 1.00 1.00 C ATOM 0 H VAL A 77 120.809 12.747 0.444 1.00 1.00 H new ATOM 0 HA VAL A 77 121.341 10.554 2.382 1.00 1.00 H new ATOM 0 HB VAL A 77 118.766 11.381 1.008 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.804 9.327 1.994 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.092 8.938 0.829 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.417 8.850 2.576 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.940 11.417 3.354 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.560 10.955 3.928 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.311 12.532 3.142 1.00 1.00 H new ATOM 1224 N GLU A 78 121.866 9.059 0.482 1.00 1.00 N ATOM 1225 CA GLU A 78 122.291 8.222 -0.623 1.00 1.00 C ATOM 1226 C GLU A 78 121.299 7.093 -0.844 1.00 1.00 C ATOM 1227 O GLU A 78 120.985 6.336 0.074 1.00 1.00 O ATOM 1228 CB GLU A 78 123.671 7.644 -0.310 1.00 1.00 C ATOM 1229 CG GLU A 78 124.172 6.817 -1.496 1.00 1.00 C ATOM 1230 CD GLU A 78 125.563 6.277 -1.190 1.00 1.00 C ATOM 1231 OE1 GLU A 78 125.976 6.373 -0.043 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.194 5.764 -2.098 1.00 1.00 O ATOM 0 H GLU A 78 122.140 8.718 1.403 1.00 1.00 H new ATOM 0 HA GLU A 78 122.339 8.823 -1.531 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.372 8.450 -0.096 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.620 7.021 0.583 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.486 5.993 -1.694 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.199 7.432 -2.396 1.00 1.00 H new ATOM 1239 N VAL A 79 120.817 6.983 -2.076 1.00 1.00 N ATOM 1240 CA VAL A 79 119.874 5.940 -2.431 1.00 1.00 C ATOM 1241 C VAL A 79 120.335 5.262 -3.717 1.00 1.00 C ATOM 1242 O VAL A 79 120.170 5.798 -4.813 1.00 1.00 O ATOM 1243 CB VAL A 79 118.485 6.540 -2.649 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.433 5.452 -2.432 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.264 7.698 -1.663 1.00 1.00 C ATOM 0 H VAL A 79 121.067 7.606 -2.844 1.00 1.00 H new ATOM 0 HA VAL A 79 119.826 5.211 -1.622 1.00 1.00 H new ATOM 0 HB VAL A 79 118.401 6.925 -3.665 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.439 5.871 -2.586 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.598 4.640 -3.140 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.512 5.068 -1.415 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.273 8.125 -1.819 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.342 7.326 -0.641 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.020 8.466 -1.828 1.00 1.00 H new ATOM 1255 N ASP A 80 121.019 4.134 -3.551 1.00 1.00 N ATOM 1256 CA ASP A 80 121.621 3.455 -4.698 1.00 1.00 C ATOM 1257 C ASP A 80 120.954 2.152 -5.107 1.00 1.00 C ATOM 1258 O ASP A 80 120.439 1.421 -4.260 1.00 1.00 O ATOM 1259 CB ASP A 80 123.091 3.171 -4.401 1.00 1.00 C ATOM 1260 CG ASP A 80 123.866 4.478 -4.308 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.382 5.471 -4.825 1.00 1.00 O ATOM 1262 OD2 ASP A 80 124.933 4.467 -3.716 1.00 1.00 O ATOM 0 H ASP A 80 121.170 3.676 -2.652 1.00 1.00 H new ATOM 0 HA ASP A 80 121.488 4.139 -5.536 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.181 2.618 -3.466 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.514 2.543 -5.185 1.00 1.00 H new ATOM 1267 N PHE A 81 121.011 1.840 -6.395 1.00 1.00 N ATOM 1268 CA PHE A 81 120.452 0.590 -6.891 1.00 1.00 C ATOM 1269 C PHE A 81 121.528 -0.155 -7.684 1.00 1.00 C ATOM 1270 O PHE A 81 121.521 -0.143 -8.917 1.00 1.00 O ATOM 1271 CB PHE A 81 119.242 0.873 -7.776 1.00 1.00 C ATOM 1272 CG PHE A 81 118.056 1.181 -6.897 1.00 1.00 C ATOM 1273 CD1 PHE A 81 117.251 0.140 -6.413 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.766 2.506 -6.556 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.155 0.427 -5.594 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.670 2.793 -5.735 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.865 1.753 -5.254 1.00 1.00 C ATOM 0 H PHE A 81 121.435 2.430 -7.110 1.00 1.00 H new ATOM 0 HA PHE A 81 120.127 -0.026 -6.053 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.448 1.713 -8.439 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.028 0.012 -8.409 1.00 1.00 H new ATOM 0 HD1 PHE A 81 117.478 -0.883 -6.673 1.00 1.00 H new ATOM 0 HD2 PHE A 81 118.388 3.308 -6.926 1.00 1.00 H new ATOM 0 HE1 PHE A 81 115.533 -0.374 -5.224 1.00 1.00 H new ATOM 0 HE2 PHE A 81 116.445 3.816 -5.472 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.019 1.975 -4.620 1.00 1.00 H new ATOM 1287 N PRO A 82 122.466 -0.769 -6.999 1.00 1.00 N ATOM 1288 CA PRO A 82 123.592 -1.499 -7.646 1.00 1.00 C ATOM 1289 C PRO A 82 123.206 -2.847 -8.242 1.00 1.00 C ATOM 1290 O PRO A 82 122.182 -3.429 -7.885 1.00 1.00 O ATOM 1291 CB PRO A 82 124.617 -1.672 -6.528 1.00 1.00 C ATOM 1292 CG PRO A 82 123.854 -1.596 -5.249 1.00 1.00 C ATOM 1293 CD PRO A 82 122.554 -0.834 -5.528 1.00 1.00 C ATOM 0 HA PRO A 82 123.965 -0.938 -8.503 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.133 -2.628 -6.617 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.378 -0.893 -6.574 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.638 -2.596 -4.872 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.440 -1.086 -4.484 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.693 -1.350 -5.102 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.577 0.163 -5.088 1.00 1.00 H new ATOM 1301 N GLN A 83 124.061 -3.353 -9.126 1.00 1.00 N ATOM 1302 CA GLN A 83 123.822 -4.658 -9.729 1.00 1.00 C ATOM 1303 C GLN A 83 124.152 -5.743 -8.719 1.00 1.00 C ATOM 1304 O GLN A 83 123.438 -6.738 -8.586 1.00 1.00 O ATOM 1305 CB GLN A 83 124.702 -4.861 -10.967 1.00 1.00 C ATOM 1306 CG GLN A 83 124.358 -3.826 -12.034 1.00 1.00 C ATOM 1307 CD GLN A 83 122.890 -3.944 -12.434 1.00 1.00 C ATOM 1308 OE1 GLN A 83 122.459 -4.995 -12.905 1.00 1.00 O ATOM 1309 NE2 GLN A 83 122.090 -2.929 -12.255 1.00 1.00 N ATOM 0 H GLN A 83 124.913 -2.887 -9.437 1.00 1.00 H new ATOM 0 HA GLN A 83 122.775 -4.711 -10.026 1.00 1.00 H new ATOM 0 HB2 GLN A 83 125.753 -4.775 -10.693 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.557 -5.866 -11.364 1.00 1.00 H new ATOM 0 HG2 GLN A 83 124.559 -2.824 -11.656 1.00 1.00 H new ATOM 0 HG3 GLN A 83 124.993 -3.970 -12.908 1.00 1.00 H new ATOM 0 HE21 GLN A 83 122.450 -2.058 -11.864 1.00 1.00 H new ATOM 0 HE22 GLN A 83 121.104 -3.006 -12.506 1.00 1.00 H new ATOM 1318 N LYS A 84 125.221 -5.507 -7.976 1.00 1.00 N ATOM 1319 CA LYS A 84 125.651 -6.413 -6.934 1.00 1.00 C ATOM 1320 C LYS A 84 125.212 -5.818 -5.606 1.00 1.00 C ATOM 1321 O LYS A 84 125.905 -5.002 -5.004 1.00 1.00 O ATOM 1322 CB LYS A 84 127.168 -6.561 -6.969 1.00 1.00 C ATOM 1323 CG LYS A 84 127.596 -7.739 -6.088 1.00 1.00 C ATOM 1324 CD LYS A 84 127.603 -9.035 -6.914 1.00 1.00 C ATOM 1325 CE LYS A 84 128.132 -10.198 -6.064 1.00 1.00 C ATOM 1326 NZ LYS A 84 128.139 -11.451 -6.880 1.00 1.00 N ATOM 0 H LYS A 84 125.812 -4.682 -8.081 1.00 1.00 H new ATOM 0 HA LYS A 84 125.212 -7.401 -7.074 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.503 -6.721 -7.994 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.640 -5.643 -6.619 1.00 1.00 H new ATOM 0 HG2 LYS A 84 128.588 -7.555 -5.676 1.00 1.00 H new ATOM 0 HG3 LYS A 84 126.914 -7.839 -5.244 1.00 1.00 H new ATOM 0 HD2 LYS A 84 126.595 -9.258 -7.263 1.00 1.00 H new ATOM 0 HD3 LYS A 84 128.226 -8.908 -7.799 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.139 -9.976 -5.711 1.00 1.00 H new ATOM 0 HE3 LYS A 84 127.507 -10.330 -5.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 128.498 -12.239 -6.303 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 127.171 -11.665 -7.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 128.753 -11.322 -7.709 1.00 1.00 H new ATOM 1340 N ASN A 85 124.033 -6.232 -5.190 1.00 1.00 N ATOM 1341 CA ASN A 85 123.433 -5.749 -3.951 1.00 1.00 C ATOM 1342 C ASN A 85 123.973 -6.480 -2.719 1.00 1.00 C ATOM 1343 O ASN A 85 123.834 -7.696 -2.577 1.00 1.00 O ATOM 1344 CB ASN A 85 121.917 -5.962 -4.022 1.00 1.00 C ATOM 1345 CG ASN A 85 121.282 -5.024 -5.048 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.808 -3.949 -5.323 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.173 -5.377 -5.644 1.00 1.00 N ATOM 0 H ASN A 85 123.461 -6.910 -5.694 1.00 1.00 H new ATOM 0 HA ASN A 85 123.684 -4.693 -3.850 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.703 -6.997 -4.288 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.475 -5.787 -3.041 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.747 -4.760 -6.335 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.734 -6.269 -5.417 1.00 1.00 H new ATOM 1354 N HIS A 86 124.575 -5.691 -1.827 1.00 1.00 N ATOM 1355 CA HIS A 86 125.129 -6.227 -0.579 1.00 1.00 C ATOM 1356 C HIS A 86 124.530 -5.490 0.617 1.00 1.00 C ATOM 1357 O HIS A 86 125.046 -5.585 1.734 1.00 1.00 O ATOM 1358 CB HIS A 86 126.647 -6.058 -0.556 1.00 1.00 C ATOM 1359 CG HIS A 86 127.275 -7.082 -1.453 1.00 1.00 C ATOM 1360 ND1 HIS A 86 127.465 -8.393 -1.050 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.754 -7.008 -2.735 1.00 1.00 C ATOM 1362 CE1 HIS A 86 128.037 -9.053 -2.071 1.00 1.00 C ATOM 1363 NE2 HIS A 86 128.237 -8.256 -3.123 1.00 1.00 N ATOM 0 H HIS A 86 124.692 -4.684 -1.943 1.00 1.00 H new ATOM 0 HA HIS A 86 124.881 -7.287 -0.521 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.917 -5.055 -0.886 1.00 1.00 H new ATOM 0 HB3 HIS A 86 127.021 -6.171 0.461 1.00 1.00 H new ATOM 0 HD1 HIS A 86 127.216 -8.786 -0.142 1.00 1.00 H new ATOM 0 HD2 HIS A 86 127.757 -6.120 -3.349 1.00 1.00 H new ATOM 0 HE1 HIS A 86 128.302 -10.100 -2.044 1.00 1.00 H new ATOM 1371 N GLN A 87 123.451 -4.756 0.384 1.00 1.00 N ATOM 1372 CA GLN A 87 122.800 -4.008 1.455 1.00 1.00 C ATOM 1373 C GLN A 87 121.748 -4.878 2.157 1.00 1.00 C ATOM 1374 O GLN A 87 121.227 -5.820 1.564 1.00 1.00 O ATOM 1375 CB GLN A 87 122.139 -2.760 0.869 1.00 1.00 C ATOM 1376 CG GLN A 87 123.084 -1.562 1.003 1.00 1.00 C ATOM 1377 CD GLN A 87 124.476 -1.934 0.500 1.00 1.00 C ATOM 1378 OE1 GLN A 87 125.354 -2.267 1.296 1.00 1.00 O ATOM 1379 NE2 GLN A 87 124.728 -1.896 -0.781 1.00 1.00 N ATOM 0 H GLN A 87 123.009 -4.661 -0.530 1.00 1.00 H new ATOM 0 HA GLN A 87 123.549 -3.715 2.191 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.893 -2.926 -0.180 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.202 -2.556 1.387 1.00 1.00 H new ATOM 0 HG2 GLN A 87 122.696 -0.718 0.433 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.138 -1.246 2.045 1.00 1.00 H new ATOM 0 HE21 GLN A 87 123.997 -1.619 -1.437 1.00 1.00 H new ATOM 0 HE22 GLN A 87 125.656 -2.143 -1.126 1.00 1.00 H new ATOM 1388 N PRO A 88 121.427 -4.590 3.400 1.00 1.00 N ATOM 1389 CA PRO A 88 120.415 -5.380 4.175 1.00 1.00 C ATOM 1390 C PRO A 88 118.989 -5.216 3.634 1.00 1.00 C ATOM 1391 O PRO A 88 118.681 -4.231 2.964 1.00 1.00 O ATOM 1392 CB PRO A 88 120.533 -4.836 5.601 1.00 1.00 C ATOM 1393 CG PRO A 88 121.119 -3.470 5.464 1.00 1.00 C ATOM 1394 CD PRO A 88 121.990 -3.488 4.207 1.00 1.00 C ATOM 0 HA PRO A 88 120.607 -6.451 4.108 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.558 -4.797 6.087 1.00 1.00 H new ATOM 0 HB3 PRO A 88 121.169 -5.476 6.213 1.00 1.00 H new ATOM 0 HG2 PRO A 88 120.334 -2.719 5.380 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.712 -3.214 6.342 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.942 -2.538 3.674 1.00 1.00 H new ATOM 0 HD3 PRO A 88 123.038 -3.665 4.450 1.00 1.00 H new ATOM 1402 N GLU A 89 118.136 -6.209 3.891 1.00 1.00 N ATOM 1403 CA GLU A 89 116.763 -6.185 3.385 1.00 1.00 C ATOM 1404 C GLU A 89 116.016 -4.909 3.777 1.00 1.00 C ATOM 1405 O GLU A 89 115.349 -4.315 2.938 1.00 1.00 O ATOM 1406 CB GLU A 89 115.979 -7.407 3.888 1.00 1.00 C ATOM 1407 CG GLU A 89 116.564 -8.694 3.291 1.00 1.00 C ATOM 1408 CD GLU A 89 116.413 -8.698 1.770 1.00 1.00 C ATOM 1409 OE1 GLU A 89 115.557 -7.981 1.276 1.00 1.00 O ATOM 1410 OE2 GLU A 89 117.164 -9.409 1.121 1.00 1.00 O ATOM 0 H GLU A 89 118.370 -7.035 4.443 1.00 1.00 H new ATOM 0 HA GLU A 89 116.834 -6.211 2.298 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.019 -7.451 4.976 1.00 1.00 H new ATOM 0 HB3 GLU A 89 114.929 -7.314 3.611 1.00 1.00 H new ATOM 0 HG2 GLU A 89 117.617 -8.779 3.558 1.00 1.00 H new ATOM 0 HG3 GLU A 89 116.057 -9.561 3.715 1.00 1.00 H new ATOM 1417 N GLU A 90 116.102 -4.482 5.033 1.00 1.00 N ATOM 1418 CA GLU A 90 115.378 -3.282 5.451 1.00 1.00 C ATOM 1419 C GLU A 90 115.809 -2.066 4.641 1.00 1.00 C ATOM 1420 O GLU A 90 114.979 -1.228 4.285 1.00 1.00 O ATOM 1421 CB GLU A 90 115.595 -3.031 6.946 1.00 1.00 C ATOM 1422 CG GLU A 90 114.911 -4.138 7.760 1.00 1.00 C ATOM 1423 CD GLU A 90 113.394 -4.067 7.594 1.00 1.00 C ATOM 1424 OE1 GLU A 90 112.904 -3.010 7.229 1.00 1.00 O ATOM 1425 OE2 GLU A 90 112.744 -5.071 7.834 1.00 1.00 O ATOM 0 H GLU A 90 116.651 -4.934 5.764 1.00 1.00 H new ATOM 0 HA GLU A 90 114.316 -3.446 5.268 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.662 -3.008 7.170 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.190 -2.058 7.224 1.00 1.00 H new ATOM 0 HG2 GLU A 90 115.273 -5.113 7.434 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.172 -4.037 8.813 1.00 1.00 H new ATOM 1432 N GLN A 91 117.094 -1.974 4.336 1.00 1.00 N ATOM 1433 CA GLN A 91 117.589 -0.848 3.552 1.00 1.00 C ATOM 1434 C GLN A 91 117.103 -0.966 2.116 1.00 1.00 C ATOM 1435 O GLN A 91 116.729 0.034 1.501 1.00 1.00 O ATOM 1436 CB GLN A 91 119.120 -0.791 3.588 1.00 1.00 C ATOM 1437 CG GLN A 91 119.599 0.427 2.788 1.00 1.00 C ATOM 1438 CD GLN A 91 121.088 0.662 3.020 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.667 0.099 3.951 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.744 1.480 2.241 1.00 1.00 N ATOM 0 H GLN A 91 117.804 -2.652 4.613 1.00 1.00 H new ATOM 0 HA GLN A 91 117.203 0.074 3.987 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.469 -0.724 4.618 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.540 -1.705 3.168 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.410 0.270 1.726 1.00 1.00 H new ATOM 0 HG3 GLN A 91 119.034 1.311 3.085 1.00 1.00 H new ATOM 0 HE21 GLN A 91 121.264 1.946 1.471 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.736 1.653 2.403 1.00 1.00 H new ATOM 1449 N ARG A 92 117.095 -2.184 1.585 1.00 1.00 N ATOM 1450 CA ARG A 92 116.644 -2.405 0.220 1.00 1.00 C ATOM 1451 C ARG A 92 115.163 -2.069 0.085 1.00 1.00 C ATOM 1452 O ARG A 92 114.755 -1.441 -0.893 1.00 1.00 O ATOM 1453 CB ARG A 92 116.884 -3.863 -0.174 1.00 1.00 C ATOM 1454 CG ARG A 92 118.387 -4.099 -0.327 1.00 1.00 C ATOM 1455 CD ARG A 92 118.656 -5.556 -0.722 1.00 1.00 C ATOM 1456 NE ARG A 92 118.101 -5.832 -2.043 1.00 1.00 N ATOM 1457 CZ ARG A 92 118.218 -7.031 -2.608 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.781 -8.014 -1.956 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.758 -7.229 -3.810 1.00 1.00 N ATOM 0 H ARG A 92 117.394 -3.026 2.077 1.00 1.00 H new ATOM 0 HA ARG A 92 117.210 -1.753 -0.445 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.474 -4.530 0.584 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.371 -4.089 -1.109 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.793 -3.428 -1.084 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.896 -3.868 0.609 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.729 -5.748 -0.723 1.00 1.00 H new ATOM 0 HD3 ARG A 92 118.213 -6.227 0.014 1.00 1.00 H new ATOM 0 HE ARG A 92 117.613 -5.090 -2.544 1.00 1.00 H new ATOM 0 HH11 ARG A 92 119.133 -7.864 -1.010 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.869 -8.932 -2.393 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.309 -6.466 -4.316 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.847 -8.147 -4.245 1.00 1.00 H new ATOM 1473 N GLN A 93 114.360 -2.483 1.058 1.00 1.00 N ATOM 1474 CA GLN A 93 112.930 -2.214 1.018 1.00 1.00 C ATOM 1475 C GLN A 93 112.662 -0.713 1.067 1.00 1.00 C ATOM 1476 O GLN A 93 111.852 -0.198 0.300 1.00 1.00 O ATOM 1477 CB GLN A 93 112.250 -2.912 2.198 1.00 1.00 C ATOM 1478 CG GLN A 93 112.343 -4.426 1.987 1.00 1.00 C ATOM 1479 CD GLN A 93 111.763 -5.176 3.186 1.00 1.00 C ATOM 1480 OE1 GLN A 93 112.265 -5.047 4.303 1.00 1.00 O ATOM 1481 NE2 GLN A 93 110.735 -5.963 3.019 1.00 1.00 N ATOM 0 H GLN A 93 114.673 -3.002 1.878 1.00 1.00 H new ATOM 0 HA GLN A 93 112.522 -2.600 0.084 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.732 -2.630 3.134 1.00 1.00 H new ATOM 0 HB3 GLN A 93 111.207 -2.603 2.271 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.804 -4.706 1.082 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.384 -4.714 1.840 1.00 1.00 H new ATOM 0 HE21 GLN A 93 110.319 -6.070 2.094 1.00 1.00 H new ATOM 0 HE22 GLN A 93 110.347 -6.471 3.814 1.00 1.00 H new ATOM 1490 N LYS A 94 113.350 -0.015 1.965 1.00 1.00 N ATOM 1491 CA LYS A 94 113.173 1.425 2.095 1.00 1.00 C ATOM 1492 C LYS A 94 113.546 2.134 0.801 1.00 1.00 C ATOM 1493 O LYS A 94 112.843 3.039 0.347 1.00 1.00 O ATOM 1494 CB LYS A 94 114.049 1.955 3.236 1.00 1.00 C ATOM 1495 CG LYS A 94 113.798 3.456 3.411 1.00 1.00 C ATOM 1496 CD LYS A 94 114.531 3.974 4.657 1.00 1.00 C ATOM 1497 CE LYS A 94 116.024 4.159 4.358 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.660 4.916 5.474 1.00 1.00 N ATOM 0 H LYS A 94 114.030 -0.420 2.608 1.00 1.00 H new ATOM 0 HA LYS A 94 112.124 1.623 2.313 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.821 1.426 4.161 1.00 1.00 H new ATOM 0 HB3 LYS A 94 115.101 1.774 3.017 1.00 1.00 H new ATOM 0 HG2 LYS A 94 114.141 3.995 2.528 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.729 3.645 3.504 1.00 1.00 H new ATOM 0 HD2 LYS A 94 114.097 4.922 4.975 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.402 3.272 5.481 1.00 1.00 H new ATOM 0 HE2 LYS A 94 116.506 3.188 4.240 1.00 1.00 H new ATOM 0 HE3 LYS A 94 116.155 4.696 3.418 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 117.332 5.608 5.085 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 115.927 5.413 6.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 117.166 4.255 6.098 1.00 1.00 H new ATOM 1512 N ASN A 95 114.662 1.722 0.217 1.00 1.00 N ATOM 1513 CA ASN A 95 115.132 2.327 -1.019 1.00 1.00 C ATOM 1514 C ASN A 95 114.109 2.142 -2.140 1.00 1.00 C ATOM 1515 O ASN A 95 113.859 3.073 -2.907 1.00 1.00 O ATOM 1516 CB ASN A 95 116.465 1.694 -1.425 1.00 1.00 C ATOM 1517 CG ASN A 95 117.566 2.105 -0.447 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.529 1.362 -0.252 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.491 3.253 0.175 1.00 1.00 N ATOM 0 H ASN A 95 115.256 0.975 0.578 1.00 1.00 H new ATOM 0 HA ASN A 95 115.268 3.395 -0.852 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.370 0.608 -1.441 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.731 2.006 -2.435 1.00 1.00 H new ATOM 0 HD21 ASN A 95 118.229 3.532 0.821 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.694 3.869 0.014 1.00 1.00 H new ATOM 1526 N GLN A 96 113.500 0.958 -2.238 1.00 1.00 N ATOM 1527 CA GLN A 96 112.503 0.702 -3.270 1.00 1.00 C ATOM 1528 C GLN A 96 111.265 1.560 -3.048 1.00 1.00 C ATOM 1529 O GLN A 96 110.684 2.081 -4.002 1.00 1.00 O ATOM 1530 CB GLN A 96 112.102 -0.773 -3.256 1.00 1.00 C ATOM 1531 CG GLN A 96 113.247 -1.629 -3.799 1.00 1.00 C ATOM 1532 CD GLN A 96 112.875 -3.106 -3.710 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.572 -3.609 -2.628 1.00 1.00 O ATOM 1534 NE2 GLN A 96 112.881 -3.833 -4.791 1.00 1.00 N ATOM 0 H GLN A 96 113.681 0.169 -1.618 1.00 1.00 H new ATOM 0 HA GLN A 96 112.941 0.955 -4.236 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.855 -1.082 -2.240 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.207 -0.921 -3.860 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.456 -1.359 -4.834 1.00 1.00 H new ATOM 0 HG3 GLN A 96 114.157 -1.439 -3.230 1.00 1.00 H new ATOM 0 HE21 GLN A 96 113.132 -3.414 -5.686 1.00 1.00 H new ATOM 0 HE22 GLN A 96 112.634 -4.821 -4.742 1.00 1.00 H new ATOM 1543 N GLU A 97 110.853 1.699 -1.790 1.00 1.00 N ATOM 1544 CA GLU A 97 109.669 2.496 -1.496 1.00 1.00 C ATOM 1545 C GLU A 97 109.886 3.944 -1.893 1.00 1.00 C ATOM 1546 O GLU A 97 109.014 4.579 -2.483 1.00 1.00 O ATOM 1547 CB GLU A 97 109.320 2.445 -0.011 1.00 1.00 C ATOM 1548 CG GLU A 97 108.811 1.055 0.361 1.00 1.00 C ATOM 1549 CD GLU A 97 108.479 1.020 1.847 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.659 2.039 2.497 1.00 1.00 O ATOM 1551 OE2 GLU A 97 108.045 -0.019 2.312 1.00 1.00 O ATOM 0 H GLU A 97 111.309 1.282 -0.978 1.00 1.00 H new ATOM 0 HA GLU A 97 108.846 2.073 -2.073 1.00 1.00 H new ATOM 0 HB2 GLU A 97 110.199 2.691 0.586 1.00 1.00 H new ATOM 0 HB3 GLU A 97 108.560 3.192 0.218 1.00 1.00 H new ATOM 0 HG2 GLU A 97 107.926 0.810 -0.227 1.00 1.00 H new ATOM 0 HG3 GLU A 97 109.566 0.304 0.128 1.00 1.00 H new ATOM 1558 N LEU A 98 111.065 4.450 -1.577 1.00 1.00 N ATOM 1559 CA LEU A 98 111.424 5.818 -1.911 1.00 1.00 C ATOM 1560 C LEU A 98 111.506 6.003 -3.415 1.00 1.00 C ATOM 1561 O LEU A 98 111.106 7.034 -3.946 1.00 1.00 O ATOM 1562 CB LEU A 98 112.755 6.187 -1.258 1.00 1.00 C ATOM 1563 CG LEU A 98 112.517 6.841 0.119 1.00 1.00 C ATOM 1564 CD1 LEU A 98 111.510 6.034 0.948 1.00 1.00 C ATOM 1565 CD2 LEU A 98 113.840 6.938 0.886 1.00 1.00 C ATOM 0 H LEU A 98 111.794 3.931 -1.087 1.00 1.00 H new ATOM 0 HA LEU A 98 110.647 6.480 -1.529 1.00 1.00 H new ATOM 0 HB2 LEU A 98 113.370 5.295 -1.142 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.306 6.872 -1.903 1.00 1.00 H new ATOM 0 HG LEU A 98 112.111 7.839 -0.048 1.00 1.00 H new ATOM 0 HD11 LEU A 98 111.362 6.519 1.913 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.559 5.984 0.417 1.00 1.00 H new ATOM 0 HD13 LEU A 98 111.892 5.025 1.103 1.00 1.00 H new ATOM 0 HD21 LEU A 98 113.664 7.401 1.857 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.252 5.939 1.029 1.00 1.00 H new ATOM 0 HD23 LEU A 98 114.546 7.543 0.318 1.00 1.00 H new ATOM 1577 N LYS A 99 112.028 5.000 -4.101 1.00 1.00 N ATOM 1578 CA LYS A 99 112.147 5.087 -5.538 1.00 1.00 C ATOM 1579 C LYS A 99 110.768 5.264 -6.131 1.00 1.00 C ATOM 1580 O LYS A 99 110.588 5.999 -7.101 1.00 1.00 O ATOM 1581 CB LYS A 99 112.779 3.809 -6.095 1.00 1.00 C ATOM 1582 CG LYS A 99 113.024 3.975 -7.596 1.00 1.00 C ATOM 1583 CD LYS A 99 113.647 2.698 -8.149 1.00 1.00 C ATOM 1584 CE LYS A 99 113.912 2.865 -9.644 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.532 1.618 -10.177 1.00 1.00 N ATOM 0 H LYS A 99 112.370 4.131 -3.690 1.00 1.00 H new ATOM 0 HA LYS A 99 112.781 5.935 -5.798 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.719 3.602 -5.583 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.123 2.957 -5.914 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.085 4.187 -8.108 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.684 4.823 -7.777 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.578 2.479 -7.626 1.00 1.00 H new ATOM 0 HD3 LYS A 99 112.980 1.853 -7.979 1.00 1.00 H new ATOM 0 HE2 LYS A 99 112.980 3.075 -10.169 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.572 3.715 -9.815 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.714 1.728 -11.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.429 1.438 -9.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.886 0.817 -10.026 1.00 1.00 H new ATOM 1599 N ALA A 100 109.788 4.581 -5.552 1.00 1.00 N ATOM 1600 CA ALA A 100 108.426 4.664 -6.031 1.00 1.00 C ATOM 1601 C ALA A 100 107.699 5.886 -5.468 1.00 1.00 C ATOM 1602 O ALA A 100 106.890 6.500 -6.161 1.00 1.00 O ATOM 1603 CB ALA A 100 107.673 3.408 -5.638 1.00 1.00 C ATOM 0 H ALA A 100 109.918 3.965 -4.750 1.00 1.00 H new ATOM 0 HA ALA A 100 108.460 4.762 -7.116 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.647 3.471 -5.999 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.160 2.539 -6.079 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.670 3.310 -4.552 1.00 1.00 H new ATOM 1609 N GLN A 101 107.961 6.228 -4.205 1.00 1.00 N ATOM 1610 CA GLN A 101 107.287 7.351 -3.588 1.00 1.00 C ATOM 1611 C GLN A 101 107.658 8.653 -4.277 1.00 1.00 C ATOM 1612 O GLN A 101 106.817 9.535 -4.449 1.00 1.00 O ATOM 1613 CB GLN A 101 107.603 7.398 -2.088 1.00 1.00 C ATOM 1614 CG GLN A 101 106.961 8.632 -1.469 1.00 1.00 C ATOM 1615 CD GLN A 101 107.162 8.628 0.042 1.00 1.00 C ATOM 1616 OE1 GLN A 101 107.470 7.590 0.626 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.007 9.738 0.711 1.00 1.00 N ATOM 0 H GLN A 101 108.628 5.745 -3.603 1.00 1.00 H new ATOM 0 HA GLN A 101 106.211 7.219 -3.704 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.230 6.498 -1.599 1.00 1.00 H new ATOM 0 HB3 GLN A 101 108.682 7.421 -1.934 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.399 9.533 -1.899 1.00 1.00 H new ATOM 0 HG3 GLN A 101 105.896 8.652 -1.702 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.752 10.596 0.223 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.141 9.747 1.722 1.00 1.00 H new ATOM 1626 N TYR A 102 108.935 8.786 -4.634 1.00 1.00 N ATOM 1627 CA TYR A 102 109.436 9.996 -5.265 1.00 1.00 C ATOM 1628 C TYR A 102 109.292 9.928 -6.782 1.00 1.00 C ATOM 1629 O TYR A 102 109.703 10.835 -7.503 1.00 1.00 O ATOM 1630 CB TYR A 102 110.919 10.210 -4.896 1.00 1.00 C ATOM 1631 CG TYR A 102 111.052 10.626 -3.438 1.00 1.00 C ATOM 1632 CD1 TYR A 102 110.670 9.751 -2.415 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.554 11.895 -3.109 1.00 1.00 C ATOM 1634 CE1 TYR A 102 110.783 10.139 -1.074 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.668 12.275 -1.768 1.00 1.00 C ATOM 1636 CZ TYR A 102 111.282 11.401 -0.751 1.00 1.00 C ATOM 1637 OH TYR A 102 111.392 11.785 0.569 1.00 1.00 O ATOM 0 H TYR A 102 109.641 8.063 -4.494 1.00 1.00 H new ATOM 0 HA TYR A 102 108.843 10.835 -4.900 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.479 9.291 -5.071 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.353 10.975 -5.539 1.00 1.00 H new ATOM 0 HD1 TYR A 102 110.286 8.772 -2.661 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.852 12.578 -3.891 1.00 1.00 H new ATOM 0 HE1 TYR A 102 110.483 9.460 -0.289 1.00 1.00 H new ATOM 0 HE2 TYR A 102 112.057 13.251 -1.518 1.00 1.00 H new ATOM 0 HH TYR A 102 110.562 12.223 0.853 1.00 1.00 H new ATOM 1647 N LYS A 103 108.679 8.834 -7.244 1.00 1.00 N ATOM 1648 CA LYS A 103 108.455 8.645 -8.674 1.00 1.00 C ATOM 1649 C LYS A 103 109.775 8.729 -9.421 1.00 1.00 C ATOM 1650 O LYS A 103 109.872 9.393 -10.452 1.00 1.00 O ATOM 1651 CB LYS A 103 107.500 9.723 -9.198 1.00 1.00 C ATOM 1652 CG LYS A 103 106.142 9.564 -8.516 1.00 1.00 C ATOM 1653 CD LYS A 103 105.181 10.648 -9.013 1.00 1.00 C ATOM 1654 CE LYS A 103 103.848 10.519 -8.274 1.00 1.00 C ATOM 1655 NZ LYS A 103 103.271 9.169 -8.532 1.00 1.00 N ATOM 0 H LYS A 103 108.334 8.076 -6.654 1.00 1.00 H new ATOM 0 HA LYS A 103 108.013 7.662 -8.836 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.907 10.714 -8.999 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.390 9.635 -10.279 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.732 8.577 -8.728 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.257 9.636 -7.435 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.610 11.636 -8.844 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.026 10.548 -10.087 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.996 10.665 -7.204 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.157 11.293 -8.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 102.250 9.184 -8.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.427 8.909 -9.527 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 103.733 8.470 -7.916 1.00 1.00 H new ATOM 1669 N VAL A 104 110.791 8.060 -8.900 1.00 1.00 N ATOM 1670 CA VAL A 104 112.099 8.081 -9.534 1.00 1.00 C ATOM 1671 C VAL A 104 112.209 6.954 -10.555 1.00 1.00 C ATOM 1672 O VAL A 104 111.963 5.795 -10.225 1.00 1.00 O ATOM 1673 CB VAL A 104 113.190 7.920 -8.484 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.550 7.874 -9.172 1.00 1.00 C ATOM 1675 CG2 VAL A 104 113.151 9.102 -7.515 1.00 1.00 C ATOM 0 H VAL A 104 110.737 7.501 -8.048 1.00 1.00 H new ATOM 0 HA VAL A 104 112.223 9.038 -10.042 1.00 1.00 H new ATOM 0 HB VAL A 104 113.027 6.995 -7.931 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.333 7.759 -8.423 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.581 7.030 -9.862 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.710 8.800 -9.724 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.933 8.984 -6.765 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.313 10.029 -8.065 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.179 9.137 -7.023 1.00 1.00 H new ATOM 1685 N THR A 105 112.570 7.295 -11.796 1.00 1.00 N ATOM 1686 CA THR A 105 112.694 6.298 -12.850 1.00 1.00 C ATOM 1687 C THR A 105 114.090 6.292 -13.455 1.00 1.00 C ATOM 1688 O THR A 105 114.718 5.245 -13.596 1.00 1.00 O ATOM 1689 CB THR A 105 111.669 6.571 -13.946 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.514 7.974 -14.111 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.332 5.943 -13.555 1.00 1.00 C ATOM 0 H THR A 105 112.779 8.249 -12.089 1.00 1.00 H new ATOM 0 HA THR A 105 112.512 5.320 -12.404 1.00 1.00 H new ATOM 0 HB THR A 105 112.010 6.136 -14.885 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.857 8.150 -14.816 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.597 6.136 -14.336 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.457 4.867 -13.433 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.987 6.377 -12.617 1.00 1.00 H new ATOM 1699 N GLY A 106 114.554 7.476 -13.831 1.00 1.00 N ATOM 1700 CA GLY A 106 115.863 7.614 -14.446 1.00 1.00 C ATOM 1701 C GLY A 106 116.889 8.139 -13.459 1.00 1.00 C ATOM 1702 O GLY A 106 116.558 8.870 -12.530 1.00 1.00 O ATOM 0 H GLY A 106 114.043 8.352 -13.720 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.189 6.648 -14.831 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.796 8.291 -15.298 1.00 1.00 H new ATOM 1706 N PHE A 107 118.136 7.762 -13.683 1.00 1.00 N ATOM 1707 CA PHE A 107 119.234 8.198 -12.835 1.00 1.00 C ATOM 1708 C PHE A 107 120.305 8.867 -13.707 1.00 1.00 C ATOM 1709 O PHE A 107 120.421 8.552 -14.889 1.00 1.00 O ATOM 1710 CB PHE A 107 119.838 6.994 -12.112 1.00 1.00 C ATOM 1711 CG PHE A 107 119.513 5.751 -12.900 1.00 1.00 C ATOM 1712 CD1 PHE A 107 120.241 5.450 -14.056 1.00 1.00 C ATOM 1713 CD2 PHE A 107 118.473 4.910 -12.486 1.00 1.00 C ATOM 1714 CE1 PHE A 107 119.931 4.306 -14.800 1.00 1.00 C ATOM 1715 CE2 PHE A 107 118.165 3.765 -13.228 1.00 1.00 C ATOM 1716 CZ PHE A 107 118.892 3.464 -14.386 1.00 1.00 C ATOM 0 H PHE A 107 118.415 7.151 -14.450 1.00 1.00 H new ATOM 0 HA PHE A 107 118.865 8.908 -12.095 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.918 7.111 -12.018 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.436 6.918 -11.102 1.00 1.00 H new ATOM 0 HD1 PHE A 107 121.042 6.100 -14.374 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.909 5.145 -11.595 1.00 1.00 H new ATOM 0 HE1 PHE A 107 120.493 4.073 -15.693 1.00 1.00 H new ATOM 0 HE2 PHE A 107 117.366 3.113 -12.907 1.00 1.00 H new ATOM 0 HZ PHE A 107 118.651 2.582 -14.960 1.00 1.00 H new ATOM 1726 N PRO A 108 121.094 9.758 -13.162 1.00 1.00 N ATOM 1727 CA PRO A 108 121.010 10.185 -11.741 1.00 1.00 C ATOM 1728 C PRO A 108 119.954 11.262 -11.553 1.00 1.00 C ATOM 1729 O PRO A 108 119.755 12.101 -12.431 1.00 1.00 O ATOM 1730 CB PRO A 108 122.401 10.746 -11.478 1.00 1.00 C ATOM 1731 CG PRO A 108 122.813 11.341 -12.779 1.00 1.00 C ATOM 1732 CD PRO A 108 122.172 10.471 -13.867 1.00 1.00 C ATOM 0 HA PRO A 108 120.728 9.377 -11.066 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.384 11.495 -10.686 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.092 9.964 -11.162 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.477 12.375 -12.858 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.899 11.350 -12.877 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.782 11.077 -14.685 1.00 1.00 H new ATOM 0 HD3 PRO A 108 122.893 9.778 -14.300 1.00 1.00 H new ATOM 1740 N GLU A 109 119.292 11.257 -10.408 1.00 1.00 N ATOM 1741 CA GLU A 109 118.283 12.269 -10.124 1.00 1.00 C ATOM 1742 C GLU A 109 118.417 12.724 -8.684 1.00 1.00 C ATOM 1743 O GLU A 109 118.407 11.906 -7.763 1.00 1.00 O ATOM 1744 CB GLU A 109 116.872 11.730 -10.373 1.00 1.00 C ATOM 1745 CG GLU A 109 116.601 11.662 -11.878 1.00 1.00 C ATOM 1746 CD GLU A 109 115.223 11.059 -12.132 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.559 10.720 -11.166 1.00 1.00 O ATOM 1748 OE2 GLU A 109 114.851 10.942 -13.289 1.00 1.00 O ATOM 0 H GLU A 109 119.431 10.572 -9.665 1.00 1.00 H new ATOM 0 HA GLU A 109 118.442 13.114 -10.794 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.768 10.739 -9.930 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.137 12.374 -9.890 1.00 1.00 H new ATOM 0 HG2 GLU A 109 116.656 12.661 -12.311 1.00 1.00 H new ATOM 0 HG3 GLU A 109 117.367 11.060 -12.367 1.00 1.00 H new ATOM 1755 N LEU A 110 118.523 14.027 -8.495 1.00 1.00 N ATOM 1756 CA LEU A 110 118.642 14.608 -7.169 1.00 1.00 C ATOM 1757 C LEU A 110 117.364 15.388 -6.896 1.00 1.00 C ATOM 1758 O LEU A 110 116.996 16.282 -7.659 1.00 1.00 O ATOM 1759 CB LEU A 110 119.867 15.533 -7.147 1.00 1.00 C ATOM 1760 CG LEU A 110 120.685 15.386 -5.850 1.00 1.00 C ATOM 1761 CD1 LEU A 110 122.042 16.076 -6.036 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.960 16.050 -4.678 1.00 1.00 C ATOM 0 H LEU A 110 118.529 14.710 -9.252 1.00 1.00 H new ATOM 0 HA LEU A 110 118.774 13.845 -6.402 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.504 15.310 -8.003 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.541 16.568 -7.253 1.00 1.00 H new ATOM 0 HG LEU A 110 120.815 14.325 -5.636 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.629 15.977 -5.123 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.577 15.609 -6.863 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.886 17.132 -6.255 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.554 15.935 -3.771 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.821 17.110 -4.890 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.988 15.578 -4.537 1.00 1.00 H new ATOM 1774 N VAL A 111 116.675 15.012 -5.830 1.00 1.00 N ATOM 1775 CA VAL A 111 115.410 15.645 -5.477 1.00 1.00 C ATOM 1776 C VAL A 111 115.501 16.364 -4.141 1.00 1.00 C ATOM 1777 O VAL A 111 115.969 15.794 -3.156 1.00 1.00 O ATOM 1778 CB VAL A 111 114.319 14.580 -5.411 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.889 14.199 -6.827 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.882 13.366 -4.706 1.00 1.00 C ATOM 0 H VAL A 111 116.969 14.272 -5.193 1.00 1.00 H new ATOM 0 HA VAL A 111 115.171 16.385 -6.241 1.00 1.00 H new ATOM 0 HB VAL A 111 113.453 14.961 -4.870 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.110 13.438 -6.778 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.504 15.080 -7.340 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.746 13.806 -7.374 1.00 1.00 H new ATOM 0 HG21 VAL A 111 114.117 12.592 -4.648 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.740 12.988 -5.262 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.195 13.643 -3.699 1.00 1.00 H new ATOM 1790 N PHE A 112 115.059 17.609 -4.107 1.00 1.00 N ATOM 1791 CA PHE A 112 115.104 18.390 -2.883 1.00 1.00 C ATOM 1792 C PHE A 112 113.731 18.410 -2.216 1.00 1.00 C ATOM 1793 O PHE A 112 112.730 18.736 -2.853 1.00 1.00 O ATOM 1794 CB PHE A 112 115.579 19.806 -3.220 1.00 1.00 C ATOM 1795 CG PHE A 112 116.935 19.699 -3.886 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.086 19.527 -3.108 1.00 1.00 C ATOM 1797 CD2 PHE A 112 117.036 19.746 -5.283 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.336 19.401 -3.728 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.287 19.626 -5.900 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.437 19.452 -5.122 1.00 1.00 C ATOM 0 H PHE A 112 114.666 18.100 -4.910 1.00 1.00 H new ATOM 0 HA PHE A 112 115.803 17.939 -2.178 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.867 20.299 -3.882 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.645 20.411 -2.316 1.00 1.00 H new ATOM 0 HD1 PHE A 112 118.010 19.491 -2.031 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.148 19.875 -5.884 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.224 19.264 -3.128 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.364 19.668 -6.976 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.402 19.357 -5.598 1.00 1.00 H new ATOM 1810 N ILE A 113 113.696 18.040 -0.932 1.00 1.00 N ATOM 1811 CA ILE A 113 112.450 18.011 -0.175 1.00 1.00 C ATOM 1812 C ILE A 113 112.612 18.692 1.168 1.00 1.00 C ATOM 1813 O ILE A 113 113.705 18.758 1.723 1.00 1.00 O ATOM 1814 CB ILE A 113 111.939 16.577 0.006 1.00 1.00 C ATOM 1815 CG1 ILE A 113 112.933 15.729 0.801 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.764 15.946 -1.371 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.261 14.415 1.207 1.00 1.00 C ATOM 0 H ILE A 113 114.518 17.757 -0.399 1.00 1.00 H new ATOM 0 HA ILE A 113 111.706 18.563 -0.750 1.00 1.00 H new ATOM 0 HB ILE A 113 110.996 16.613 0.551 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.820 15.527 0.200 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.265 16.271 1.687 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.401 14.924 -1.260 1.00 1.00 H new ATOM 0 HG22 ILE A 113 111.044 16.526 -1.948 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.722 15.936 -1.891 1.00 1.00 H new ATOM 0 HD11 ILE A 113 112.965 13.806 1.774 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.387 14.628 1.823 1.00 1.00 H new ATOM 0 HD13 ILE A 113 111.951 13.873 0.313 1.00 1.00 H new ATOM 1829 N ASP A 114 111.486 19.133 1.708 1.00 1.00 N ATOM 1830 CA ASP A 114 111.462 19.739 3.017 1.00 1.00 C ATOM 1831 C ASP A 114 111.233 18.620 4.017 1.00 1.00 C ATOM 1832 O ASP A 114 111.113 17.456 3.639 1.00 1.00 O ATOM 1833 CB ASP A 114 110.336 20.776 3.112 1.00 1.00 C ATOM 1834 CG ASP A 114 110.744 22.067 2.405 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.589 22.768 2.937 1.00 1.00 O ATOM 1836 OD2 ASP A 114 110.204 22.335 1.345 1.00 1.00 O ATOM 0 H ASP A 114 110.576 19.079 1.251 1.00 1.00 H new ATOM 0 HA ASP A 114 112.399 20.258 3.218 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.427 20.378 2.661 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.109 20.982 4.158 1.00 1.00 H new ATOM 1841 N ALA A 115 111.187 18.961 5.282 1.00 1.00 N ATOM 1842 CA ALA A 115 110.993 17.977 6.337 1.00 1.00 C ATOM 1843 C ALA A 115 109.595 17.373 6.306 1.00 1.00 C ATOM 1844 O ALA A 115 109.343 16.361 6.956 1.00 1.00 O ATOM 1845 CB ALA A 115 111.198 18.647 7.690 1.00 1.00 C ATOM 0 H ALA A 115 111.282 19.920 5.615 1.00 1.00 H new ATOM 0 HA ALA A 115 111.716 17.177 6.178 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.054 17.915 8.484 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.209 19.050 7.747 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.478 19.457 7.808 1.00 1.00 H new ATOM 1851 N GLU A 116 108.692 17.973 5.539 1.00 1.00 N ATOM 1852 CA GLU A 116 107.335 17.452 5.431 1.00 1.00 C ATOM 1853 C GLU A 116 107.221 16.587 4.184 1.00 1.00 C ATOM 1854 O GLU A 116 106.162 16.029 3.904 1.00 1.00 O ATOM 1855 CB GLU A 116 106.327 18.597 5.343 1.00 1.00 C ATOM 1856 CG GLU A 116 106.297 19.366 6.662 1.00 1.00 C ATOM 1857 CD GLU A 116 105.304 20.520 6.564 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.730 20.692 5.500 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.127 21.212 7.552 1.00 1.00 O ATOM 0 H GLU A 116 108.872 18.812 4.988 1.00 1.00 H new ATOM 0 HA GLU A 116 107.118 16.857 6.318 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.596 19.268 4.527 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.335 18.204 5.119 1.00 1.00 H new ATOM 0 HG2 GLU A 116 106.014 18.699 7.476 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.291 19.748 6.894 1.00 1.00 H new ATOM 1866 N GLY A 117 108.314 16.462 3.448 1.00 1.00 N ATOM 1867 CA GLY A 117 108.308 15.639 2.251 1.00 1.00 C ATOM 1868 C GLY A 117 107.824 16.403 1.028 1.00 1.00 C ATOM 1869 O GLY A 117 107.513 15.797 0.004 1.00 1.00 O ATOM 0 H GLY A 117 109.205 16.913 3.655 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.314 15.262 2.067 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.667 14.772 2.412 1.00 1.00 H new ATOM 1873 N LYS A 118 107.767 17.728 1.112 1.00 1.00 N ATOM 1874 CA LYS A 118 107.329 18.510 -0.035 1.00 1.00 C ATOM 1875 C LYS A 118 108.501 18.766 -0.958 1.00 1.00 C ATOM 1876 O LYS A 118 109.598 19.024 -0.497 1.00 1.00 O ATOM 1877 CB LYS A 118 106.698 19.823 0.406 1.00 1.00 C ATOM 1878 CG LYS A 118 105.337 19.524 1.023 1.00 1.00 C ATOM 1879 CD LYS A 118 104.718 20.826 1.532 1.00 1.00 C ATOM 1880 CE LYS A 118 103.288 20.565 2.012 1.00 1.00 C ATOM 1881 NZ LYS A 118 103.297 19.564 3.118 1.00 1.00 N ATOM 0 H LYS A 118 108.012 18.271 1.940 1.00 1.00 H new ATOM 0 HA LYS A 118 106.570 17.942 -0.573 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.339 20.327 1.129 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.588 20.495 -0.445 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.683 19.061 0.284 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.444 18.814 1.843 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.317 21.230 2.348 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.715 21.573 0.738 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.835 21.495 2.356 1.00 1.00 H new ATOM 0 HE3 LYS A 118 102.679 20.200 1.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.344 19.492 3.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.584 18.637 2.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 103.969 19.864 3.853 1.00 1.00 H new ATOM 1895 N GLN A 119 108.259 18.666 -2.256 1.00 1.00 N ATOM 1896 CA GLN A 119 109.311 18.855 -3.248 1.00 1.00 C ATOM 1897 C GLN A 119 109.551 20.329 -3.556 1.00 1.00 C ATOM 1898 O GLN A 119 108.635 21.051 -3.954 1.00 1.00 O ATOM 1899 CB GLN A 119 108.923 18.097 -4.522 1.00 1.00 C ATOM 1900 CG GLN A 119 109.493 18.798 -5.754 1.00 1.00 C ATOM 1901 CD GLN A 119 109.404 17.879 -6.967 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.649 16.905 -6.959 1.00 1.00 O ATOM 1903 NE2 GLN A 119 110.133 18.135 -8.018 1.00 1.00 N ATOM 0 H GLN A 119 107.342 18.455 -2.650 1.00 1.00 H new ATOM 0 HA GLN A 119 110.245 18.464 -2.844 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.297 17.074 -4.472 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.838 18.036 -4.600 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.943 19.719 -5.945 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.531 19.078 -5.575 1.00 1.00 H new ATOM 0 HE21 GLN A 119 110.757 18.942 -8.022 1.00 1.00 H new ATOM 0 HE22 GLN A 119 110.079 17.528 -8.836 1.00 1.00 H new ATOM 1912 N LEU A 120 110.801 20.760 -3.392 1.00 1.00 N ATOM 1913 CA LEU A 120 111.158 22.142 -3.682 1.00 1.00 C ATOM 1914 C LEU A 120 111.793 22.258 -5.063 1.00 1.00 C ATOM 1915 O LEU A 120 111.679 23.296 -5.718 1.00 1.00 O ATOM 1916 CB LEU A 120 112.170 22.682 -2.663 1.00 1.00 C ATOM 1917 CG LEU A 120 111.643 22.509 -1.232 1.00 1.00 C ATOM 1918 CD1 LEU A 120 112.022 21.143 -0.682 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.250 23.571 -0.324 1.00 1.00 C ATOM 0 H LEU A 120 111.572 20.179 -3.064 1.00 1.00 H new ATOM 0 HA LEU A 120 110.235 22.720 -3.635 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.119 22.157 -2.772 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.364 23.736 -2.859 1.00 1.00 H new ATOM 0 HG LEU A 120 110.558 22.606 -1.260 1.00 1.00 H new ATOM 0 HD11 LEU A 120 111.639 21.041 0.333 1.00 1.00 H new ATOM 0 HD12 LEU A 120 111.592 20.365 -1.312 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.107 21.043 -0.672 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.872 23.442 0.690 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.335 23.471 -0.322 1.00 1.00 H new ATOM 0 HD23 LEU A 120 111.978 24.561 -0.690 1.00 1.00 H new ATOM 1931 N ALA A 121 112.476 21.193 -5.498 1.00 1.00 N ATOM 1932 CA ALA A 121 113.139 21.196 -6.797 1.00 1.00 C ATOM 1933 C ALA A 121 113.767 19.835 -7.101 1.00 1.00 C ATOM 1934 O ALA A 121 113.954 19.014 -6.204 1.00 1.00 O ATOM 1935 CB ALA A 121 114.250 22.249 -6.815 1.00 1.00 C ATOM 0 H ALA A 121 112.581 20.326 -4.970 1.00 1.00 H new ATOM 0 HA ALA A 121 112.384 21.422 -7.550 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.740 22.244 -7.789 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.821 23.234 -6.629 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.981 22.020 -6.040 1.00 1.00 H new ATOM 1941 N ARG A 122 114.109 19.611 -8.362 1.00 1.00 N ATOM 1942 CA ARG A 122 114.743 18.357 -8.760 1.00 1.00 C ATOM 1943 C ARG A 122 115.684 18.601 -9.931 1.00 1.00 C ATOM 1944 O ARG A 122 115.387 19.397 -10.823 1.00 1.00 O ATOM 1945 CB ARG A 122 113.687 17.306 -9.133 1.00 1.00 C ATOM 1946 CG ARG A 122 112.877 17.778 -10.346 1.00 1.00 C ATOM 1947 CD ARG A 122 111.828 16.724 -10.715 1.00 1.00 C ATOM 1948 NE ARG A 122 111.092 17.164 -11.895 1.00 1.00 N ATOM 1949 CZ ARG A 122 110.300 16.339 -12.572 1.00 1.00 C ATOM 1950 NH1 ARG A 122 110.172 15.095 -12.197 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.645 16.780 -13.612 1.00 1.00 N ATOM 0 H ARG A 122 113.961 20.274 -9.123 1.00 1.00 H new ATOM 0 HA ARG A 122 115.317 17.975 -7.916 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.172 16.356 -9.358 1.00 1.00 H new ATOM 0 HB3 ARG A 122 113.022 17.132 -8.287 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.389 18.726 -10.122 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.542 17.954 -11.192 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.312 15.767 -10.911 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.142 16.570 -9.882 1.00 1.00 H new ATOM 0 HE ARG A 122 111.188 18.130 -12.209 1.00 1.00 H new ATOM 0 HH11 ARG A 122 110.681 14.753 -11.382 1.00 1.00 H new ATOM 0 HH12 ARG A 122 109.563 14.465 -12.719 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.743 17.753 -13.901 1.00 1.00 H new ATOM 0 HH22 ARG A 122 109.036 16.151 -14.135 1.00 1.00 H new ATOM 1965 N MET A 123 116.813 17.897 -9.931 1.00 1.00 N ATOM 1966 CA MET A 123 117.775 18.034 -11.009 1.00 1.00 C ATOM 1967 C MET A 123 118.458 16.705 -11.312 1.00 1.00 C ATOM 1968 O MET A 123 118.493 15.801 -10.478 1.00 1.00 O ATOM 1969 CB MET A 123 118.852 19.052 -10.646 1.00 1.00 C ATOM 1970 CG MET A 123 118.213 20.413 -10.350 1.00 1.00 C ATOM 1971 SD MET A 123 119.483 21.694 -10.437 1.00 1.00 S ATOM 1972 CE MET A 123 120.147 21.468 -8.770 1.00 1.00 C ATOM 0 H MET A 123 117.078 17.234 -9.203 1.00 1.00 H new ATOM 0 HA MET A 123 117.224 18.370 -11.887 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.411 18.707 -9.776 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.565 19.147 -11.465 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.420 20.620 -11.069 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.754 20.406 -9.362 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.192 21.778 -8.749 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.575 22.072 -8.066 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.075 20.417 -8.489 1.00 1.00 H new ATOM 1982 N GLY A 124 119.004 16.609 -12.514 1.00 1.00 N ATOM 1983 CA GLY A 124 119.701 15.402 -12.943 1.00 1.00 C ATOM 1984 C GLY A 124 121.147 15.738 -13.265 1.00 1.00 C ATOM 1985 O GLY A 124 121.709 16.675 -12.701 1.00 1.00 O ATOM 0 H GLY A 124 118.979 17.352 -13.212 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.658 14.647 -12.158 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.211 14.979 -13.820 1.00 1.00 H new ATOM 1989 N PHE A 125 121.738 15.012 -14.201 1.00 1.00 N ATOM 1990 CA PHE A 125 123.104 15.301 -14.600 1.00 1.00 C ATOM 1991 C PHE A 125 123.098 16.532 -15.502 1.00 1.00 C ATOM 1992 O PHE A 125 122.280 16.621 -16.417 1.00 1.00 O ATOM 1993 CB PHE A 125 123.689 14.100 -15.352 1.00 1.00 C ATOM 1994 CG PHE A 125 124.995 14.496 -15.987 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.093 14.804 -15.179 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.109 14.560 -17.381 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.308 15.177 -15.763 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.323 14.935 -17.965 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.424 15.243 -17.157 1.00 1.00 C ATOM 0 H PHE A 125 121.301 14.231 -14.691 1.00 1.00 H new ATOM 0 HA PHE A 125 123.718 15.493 -13.720 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.843 13.267 -14.666 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.990 13.759 -16.115 1.00 1.00 H new ATOM 0 HD1 PHE A 125 126.003 14.754 -14.104 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.260 14.320 -18.004 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.157 15.414 -15.139 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.411 14.987 -19.040 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.362 15.531 -17.608 1.00 1.00 H new ATOM 2009 N GLU A 126 123.987 17.487 -15.246 1.00 1.00 N ATOM 2010 CA GLU A 126 124.033 18.703 -16.055 1.00 1.00 C ATOM 2011 C GLU A 126 125.473 19.201 -16.203 1.00 1.00 C ATOM 2012 O GLU A 126 126.088 19.580 -15.206 1.00 1.00 O ATOM 2013 CB GLU A 126 123.201 19.801 -15.388 1.00 1.00 C ATOM 2014 CG GLU A 126 121.797 19.269 -15.113 1.00 1.00 C ATOM 2015 CD GLU A 126 120.890 20.402 -14.650 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.414 21.435 -14.266 1.00 1.00 O ATOM 2017 OE2 GLU A 126 119.684 20.223 -14.689 1.00 1.00 O ATOM 0 H GLU A 126 124.677 17.446 -14.496 1.00 1.00 H new ATOM 0 HA GLU A 126 123.629 18.471 -17.041 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.672 20.116 -14.457 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.151 20.678 -16.033 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.390 18.812 -16.015 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.837 18.490 -14.351 1.00 1.00 H new ATOM 2024 N PRO A 127 126.035 19.244 -17.392 1.00 1.00 N ATOM 2025 CA PRO A 127 127.421 19.747 -17.555 1.00 1.00 C ATOM 2026 C PRO A 127 127.573 21.149 -16.973 1.00 1.00 C ATOM 2027 O PRO A 127 126.586 21.866 -16.791 1.00 1.00 O ATOM 2028 CB PRO A 127 127.660 19.773 -19.065 1.00 1.00 C ATOM 2029 CG PRO A 127 126.600 18.923 -19.682 1.00 1.00 C ATOM 2030 CD PRO A 127 125.447 18.821 -18.681 1.00 1.00 C ATOM 0 HA PRO A 127 128.138 19.116 -17.030 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.610 20.793 -19.447 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.652 19.391 -19.306 1.00 1.00 H new ATOM 0 HG2 PRO A 127 126.256 19.360 -20.619 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.992 17.933 -19.917 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.615 19.464 -18.967 1.00 1.00 H new ATOM 0 HD3 PRO A 127 125.059 17.804 -18.625 1.00 1.00 H new ATOM 2038 N GLY A 128 128.813 21.521 -16.677 1.00 1.00 N ATOM 2039 CA GLY A 128 129.083 22.834 -16.108 1.00 1.00 C ATOM 2040 C GLY A 128 129.897 22.723 -14.838 1.00 1.00 C ATOM 2041 O GLY A 128 130.563 23.686 -14.457 1.00 1.00 O ATOM 0 H GLY A 128 129.638 20.939 -16.820 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.619 23.445 -16.834 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.142 23.342 -15.897 1.00 1.00 H new ATOM 2045 N GLY A 129 129.882 21.574 -14.178 1.00 1.00 N ATOM 2046 CA GLY A 129 130.666 21.415 -12.975 1.00 1.00 C ATOM 2047 C GLY A 129 129.890 21.749 -11.698 1.00 1.00 C ATOM 2048 O GLY A 129 128.698 22.055 -11.731 1.00 1.00 O ATOM 0 H GLY A 129 129.343 20.753 -14.454 1.00 1.00 H new ATOM 0 HA2 GLY A 129 131.024 20.387 -12.916 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.546 22.056 -13.035 1.00 1.00 H new ATOM 2052 N GLY A 130 130.583 21.601 -10.579 1.00 1.00 N ATOM 2053 CA GLY A 130 129.973 21.792 -9.262 1.00 1.00 C ATOM 2054 C GLY A 130 129.514 23.218 -8.960 1.00 1.00 C ATOM 2055 O GLY A 130 128.442 23.414 -8.385 1.00 1.00 O ATOM 0 H GLY A 130 131.571 21.349 -10.552 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.115 21.125 -9.176 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.690 21.489 -8.499 1.00 1.00 H new ATOM 2059 N ALA A 131 130.314 24.208 -9.320 1.00 1.00 N ATOM 2060 CA ALA A 131 129.958 25.593 -9.047 1.00 1.00 C ATOM 2061 C ALA A 131 128.637 25.937 -9.723 1.00 1.00 C ATOM 2062 O ALA A 131 127.758 26.563 -9.130 1.00 1.00 O ATOM 2063 CB ALA A 131 131.045 26.520 -9.593 1.00 1.00 C ATOM 0 H ALA A 131 131.206 24.082 -9.798 1.00 1.00 H new ATOM 0 HA ALA A 131 129.862 25.723 -7.969 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.776 27.556 -9.388 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.995 26.289 -9.112 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.139 26.376 -10.669 1.00 1.00 H new ATOM 2069 N ALA A 132 128.521 25.561 -10.979 1.00 1.00 N ATOM 2070 CA ALA A 132 127.323 25.857 -11.742 1.00 1.00 C ATOM 2071 C ALA A 132 126.083 25.144 -11.182 1.00 1.00 C ATOM 2072 O ALA A 132 124.991 25.711 -11.163 1.00 1.00 O ATOM 2073 CB ALA A 132 127.545 25.440 -13.191 1.00 1.00 C ATOM 0 H ALA A 132 129.239 25.051 -11.494 1.00 1.00 H new ATOM 0 HA ALA A 132 127.136 26.929 -11.673 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.650 25.658 -13.774 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.390 25.992 -13.603 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.754 24.371 -13.234 1.00 1.00 H new ATOM 2079 N TYR A 133 126.251 23.896 -10.746 1.00 1.00 N ATOM 2080 CA TYR A 133 125.143 23.107 -10.210 1.00 1.00 C ATOM 2081 C TYR A 133 124.570 23.746 -8.950 1.00 1.00 C ATOM 2082 O TYR A 133 123.351 23.776 -8.762 1.00 1.00 O ATOM 2083 CB TYR A 133 125.639 21.697 -9.885 1.00 1.00 C ATOM 2084 CG TYR A 133 124.479 20.809 -9.492 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.967 20.853 -8.188 1.00 1.00 C ATOM 2086 CD2 TYR A 133 123.924 19.928 -10.431 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.901 20.024 -7.828 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.858 19.098 -10.069 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.346 19.146 -8.768 1.00 1.00 C ATOM 2090 OH TYR A 133 121.291 18.329 -8.414 1.00 1.00 O ATOM 0 H TYR A 133 127.147 23.409 -10.754 1.00 1.00 H new ATOM 0 HA TYR A 133 124.354 23.066 -10.961 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.151 21.276 -10.750 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.366 21.738 -9.073 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.396 21.527 -7.462 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.320 19.890 -11.435 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.505 20.060 -6.824 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.430 18.421 -10.793 1.00 1.00 H new ATOM 0 HH TYR A 133 120.911 18.635 -7.564 1.00 1.00 H new ATOM 2100 N VAL A 134 125.446 24.231 -8.070 1.00 1.00 N ATOM 2101 CA VAL A 134 124.984 24.831 -6.838 1.00 1.00 C ATOM 2102 C VAL A 134 124.217 26.127 -7.111 1.00 1.00 C ATOM 2103 O VAL A 134 123.248 26.423 -6.440 1.00 1.00 O ATOM 2104 CB VAL A 134 126.146 25.052 -5.869 1.00 1.00 C ATOM 2105 CG1 VAL A 134 126.780 23.709 -5.497 1.00 1.00 C ATOM 2106 CG2 VAL A 134 127.207 25.932 -6.498 1.00 1.00 C ATOM 0 H VAL A 134 126.459 24.217 -8.191 1.00 1.00 H new ATOM 0 HA VAL A 134 124.290 24.139 -6.362 1.00 1.00 H new ATOM 0 HB VAL A 134 125.754 25.540 -4.977 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.607 23.876 -4.807 1.00 1.00 H new ATOM 0 HG12 VAL A 134 126.033 23.073 -5.022 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.152 23.221 -6.398 1.00 1.00 H new ATOM 0 HG21 VAL A 134 128.025 26.077 -5.792 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.587 25.454 -7.401 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.773 26.899 -6.754 1.00 1.00 H new ATOM 2116 N SER A 135 124.629 26.914 -8.088 1.00 1.00 N ATOM 2117 CA SER A 135 123.903 28.145 -8.373 1.00 1.00 C ATOM 2118 C SER A 135 122.453 27.815 -8.732 1.00 1.00 C ATOM 2119 O SER A 135 121.515 28.502 -8.324 1.00 1.00 O ATOM 2120 CB SER A 135 124.557 28.879 -9.540 1.00 1.00 C ATOM 2121 OG SER A 135 125.904 29.184 -9.205 1.00 1.00 O ATOM 0 H SER A 135 125.437 26.734 -8.684 1.00 1.00 H new ATOM 0 HA SER A 135 123.926 28.782 -7.489 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.524 28.262 -10.438 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.009 29.795 -9.762 1.00 1.00 H new ATOM 0 HG SER A 135 126.443 28.366 -9.238 1.00 1.00 H new ATOM 2127 N LYS A 136 122.300 26.761 -9.530 1.00 1.00 N ATOM 2128 CA LYS A 136 120.986 26.319 -10.002 1.00 1.00 C ATOM 2129 C LYS A 136 120.087 25.860 -8.857 1.00 1.00 C ATOM 2130 O LYS A 136 118.899 26.183 -8.824 1.00 1.00 O ATOM 2131 CB LYS A 136 121.159 25.170 -11.002 1.00 1.00 C ATOM 2132 CG LYS A 136 121.780 25.691 -12.304 1.00 1.00 C ATOM 2133 CD LYS A 136 121.922 24.538 -13.306 1.00 1.00 C ATOM 2134 CE LYS A 136 122.524 25.061 -14.615 1.00 1.00 C ATOM 2135 NZ LYS A 136 122.681 23.933 -15.577 1.00 1.00 N ATOM 0 H LYS A 136 123.076 26.191 -9.867 1.00 1.00 H new ATOM 0 HA LYS A 136 120.506 27.172 -10.481 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.794 24.396 -10.572 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.193 24.710 -11.210 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.156 26.478 -12.727 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.756 26.132 -12.102 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.558 23.757 -12.889 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.948 24.088 -13.497 1.00 1.00 H new ATOM 0 HE2 LYS A 136 121.880 25.830 -15.042 1.00 1.00 H new ATOM 0 HE3 LYS A 136 123.491 25.526 -14.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 123.691 23.777 -15.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 122.268 23.070 -15.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 122.193 24.164 -16.466 1.00 1.00 H new ATOM 2149 N VAL A 137 120.646 25.100 -7.925 1.00 1.00 N ATOM 2150 CA VAL A 137 119.845 24.612 -6.813 1.00 1.00 C ATOM 2151 C VAL A 137 119.387 25.776 -5.938 1.00 1.00 C ATOM 2152 O VAL A 137 118.273 25.772 -5.417 1.00 1.00 O ATOM 2153 CB VAL A 137 120.611 23.559 -6.000 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.551 24.236 -5.037 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.618 22.706 -5.202 1.00 1.00 C ATOM 0 H VAL A 137 121.625 24.814 -7.915 1.00 1.00 H new ATOM 0 HA VAL A 137 118.957 24.124 -7.214 1.00 1.00 H new ATOM 0 HB VAL A 137 121.179 22.930 -6.685 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.090 23.482 -4.464 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.262 24.848 -5.592 1.00 1.00 H new ATOM 0 HG13 VAL A 137 120.981 24.869 -4.357 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.162 21.958 -4.625 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.051 23.345 -4.525 1.00 1.00 H new ATOM 0 HG23 VAL A 137 118.934 22.207 -5.888 1.00 1.00 H new ATOM 2165 N LYS A 138 120.262 26.762 -5.766 1.00 1.00 N ATOM 2166 CA LYS A 138 119.940 27.914 -4.939 1.00 1.00 C ATOM 2167 C LYS A 138 118.695 28.616 -5.461 1.00 1.00 C ATOM 2168 O LYS A 138 117.810 28.982 -4.690 1.00 1.00 O ATOM 2169 CB LYS A 138 121.114 28.897 -4.934 1.00 1.00 C ATOM 2170 CG LYS A 138 122.262 28.332 -4.100 1.00 1.00 C ATOM 2171 CD LYS A 138 123.459 29.279 -4.197 1.00 1.00 C ATOM 2172 CE LYS A 138 124.610 28.753 -3.339 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.776 29.671 -3.465 1.00 1.00 N ATOM 0 H LYS A 138 121.191 26.785 -6.185 1.00 1.00 H new ATOM 0 HA LYS A 138 119.750 27.566 -3.924 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.450 29.080 -5.954 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.795 29.856 -4.526 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.953 28.220 -3.061 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.536 27.340 -4.459 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.779 29.369 -5.235 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.172 30.277 -3.864 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.299 28.682 -2.297 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.887 27.748 -3.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.561 29.317 -2.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.076 29.717 -4.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.506 30.622 -3.141 1.00 1.00 H new ATOM 2187 N SER A 139 118.625 28.801 -6.767 1.00 1.00 N ATOM 2188 CA SER A 139 117.476 29.456 -7.362 1.00 1.00 C ATOM 2189 C SER A 139 116.225 28.602 -7.190 1.00 1.00 C ATOM 2190 O SER A 139 115.129 29.113 -6.961 1.00 1.00 O ATOM 2191 CB SER A 139 117.726 29.697 -8.852 1.00 1.00 C ATOM 2192 OG SER A 139 118.951 30.399 -9.010 1.00 1.00 O ATOM 0 H SER A 139 119.343 28.510 -7.430 1.00 1.00 H new ATOM 0 HA SER A 139 117.325 30.411 -6.858 1.00 1.00 H new ATOM 0 HB2 SER A 139 117.765 28.747 -9.385 1.00 1.00 H new ATOM 0 HB3 SER A 139 116.905 30.271 -9.283 1.00 1.00 H new ATOM 0 HG SER A 139 119.118 30.555 -9.963 1.00 1.00 H new ATOM 2198 N ALA A 140 116.402 27.293 -7.307 1.00 1.00 N ATOM 2199 CA ALA A 140 115.292 26.357 -7.185 1.00 1.00 C ATOM 2200 C ALA A 140 114.719 26.292 -5.771 1.00 1.00 C ATOM 2201 O ALA A 140 113.504 26.185 -5.598 1.00 1.00 O ATOM 2202 CB ALA A 140 115.770 24.972 -7.601 1.00 1.00 C ATOM 0 H ALA A 140 117.305 26.854 -7.487 1.00 1.00 H new ATOM 0 HA ALA A 140 114.492 26.711 -7.835 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.948 24.262 -7.514 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.116 25.002 -8.634 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.589 24.660 -6.953 1.00 1.00 H new ATOM 2208 N LEU A 141 115.575 26.310 -4.762 1.00 1.00 N ATOM 2209 CA LEU A 141 115.100 26.204 -3.384 1.00 1.00 C ATOM 2210 C LEU A 141 114.740 27.554 -2.788 1.00 1.00 C ATOM 2211 O LEU A 141 114.256 27.618 -1.657 1.00 1.00 O ATOM 2212 CB LEU A 141 116.156 25.534 -2.516 1.00 1.00 C ATOM 2213 CG LEU A 141 115.993 24.014 -2.590 1.00 1.00 C ATOM 2214 CD1 LEU A 141 116.035 23.541 -4.044 1.00 1.00 C ATOM 2215 CD2 LEU A 141 117.126 23.349 -1.815 1.00 1.00 C ATOM 0 H LEU A 141 116.586 26.395 -4.863 1.00 1.00 H new ATOM 0 HA LEU A 141 114.193 25.599 -3.407 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.153 25.820 -2.853 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.060 25.870 -1.484 1.00 1.00 H new ATOM 0 HG LEU A 141 115.030 23.742 -2.157 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.918 22.458 -4.078 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.226 24.011 -4.603 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.991 23.816 -4.489 1.00 1.00 H new ATOM 0 HD21 LEU A 141 117.014 22.266 -1.865 1.00 1.00 H new ATOM 0 HD22 LEU A 141 118.083 23.635 -2.252 1.00 1.00 H new ATOM 0 HD23 LEU A 141 117.092 23.670 -0.774 1.00 1.00 H new ATOM 2227 N LYS A 142 114.950 28.627 -3.545 1.00 1.00 N ATOM 2228 CA LYS A 142 114.614 29.970 -3.084 1.00 1.00 C ATOM 2229 C LYS A 142 115.475 30.397 -1.900 1.00 1.00 C ATOM 2230 O LYS A 142 114.981 30.990 -0.942 1.00 1.00 O ATOM 2231 CB LYS A 142 113.130 30.039 -2.678 1.00 1.00 C ATOM 2232 CG LYS A 142 112.233 29.393 -3.752 1.00 1.00 C ATOM 2233 CD LYS A 142 112.202 30.262 -5.013 1.00 1.00 C ATOM 2234 CE LYS A 142 111.280 29.627 -6.052 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.171 30.543 -7.222 1.00 1.00 N ATOM 0 H LYS A 142 115.352 28.592 -4.482 1.00 1.00 H new ATOM 0 HA LYS A 142 114.807 30.651 -3.913 1.00 1.00 H new ATOM 0 HB2 LYS A 142 112.986 29.530 -1.725 1.00 1.00 H new ATOM 0 HB3 LYS A 142 112.837 31.079 -2.532 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.606 28.399 -3.997 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.222 29.268 -3.364 1.00 1.00 H new ATOM 0 HD2 LYS A 142 111.853 31.265 -4.767 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.208 30.366 -5.420 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.674 28.660 -6.365 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.295 29.446 -5.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.545 30.120 -7.937 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 110.778 31.455 -6.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.114 30.694 -7.634 1.00 1.00 H new ATOM 2249 N LEU A 143 116.780 30.180 -2.020 1.00 1.00 N ATOM 2250 CA LEU A 143 117.727 30.634 -1.010 1.00 1.00 C ATOM 2251 C LEU A 143 118.053 32.082 -1.356 1.00 1.00 C ATOM 2252 O LEU A 143 119.024 32.681 -0.894 1.00 1.00 O ATOM 2253 CB LEU A 143 118.992 29.782 -1.048 1.00 1.00 C ATOM 2254 CG LEU A 143 118.834 28.504 -0.206 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.407 27.934 -0.282 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.799 27.459 -0.752 1.00 1.00 C ATOM 0 H LEU A 143 117.206 29.692 -2.808 1.00 1.00 H new ATOM 0 HA LEU A 143 117.310 30.549 -0.007 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.221 29.514 -2.079 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.835 30.363 -0.675 1.00 1.00 H new ATOM 0 HG LEU A 143 119.043 28.750 0.835 1.00 1.00 H new ATOM 0 HD11 LEU A 143 117.342 27.033 0.327 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.699 28.675 0.090 1.00 1.00 H new ATOM 0 HD13 LEU A 143 117.167 27.690 -1.317 1.00 1.00 H new ATOM 0 HD21 LEU A 143 119.707 26.541 -0.172 1.00 1.00 H new ATOM 0 HD22 LEU A 143 119.561 27.254 -1.796 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.820 27.834 -0.680 1.00 1.00 H new