USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 949 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 117 ASN : amide:sc= -1.07 K(o=-2.6,f=-4.8!) USER MOD Set 1.2: A 134 GLN : amide:sc= -1.54 K(o=-2.6,f=-4.7!) USER MOD Set 2.1: A 115 ASN : amide:sc= -2.03 X(o=-4.4,f=-4.7) USER MOD Set 2.2: A 128 SER OG : rot -95:sc= 0.538 USER MOD Set 2.3: A 131 GLN : amide:sc= -2.9 K(o=-4.4,f=-6.4!) USER MOD Set 3.1: A 24 HIS : no HE2:sc= -12.8! C(o=-25!,f=-30!) USER MOD Set 3.2: A 73 ASN : amide:sc= -7.66! C(o=-25!,f=-35!) USER MOD Set 3.3: A 136 MET CE :methyl 172:sc= -4.04 (180deg=-0.971) USER MOD Set 4.1: A 47 HIS : no HE2:sc= -5.52 K(o=-5,f=-8.9!) USER MOD Set 4.2: A 78 ASN : amide:sc= 0.475 K(o=-5,f=-9.8!) USER MOD Set 5.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 72 HIS :FLIP no HD1:sc= -0.619 F(o=-1.9!,f=-0.62) USER MOD Set 6.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 106 SER OG : rot 69:sc= 0.551 USER MOD Single : A 22 HIS :FLIP no HE2:sc= -0.376 F(o=-1.7,f=-0.38) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -121:sc= -2.96 (180deg=-9.46!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -1.43! (180deg=-2.8!) USER MOD Single : A 64 SER OG : rot 176:sc= -1.07! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -78:sc= -2.04! USER MOD Single : A 76 MET CE :methyl -175:sc= -4.11! (180deg=-4.35!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -63:sc= 0.908 USER MOD Single : A 96 TYR OH : rot 30:sc= -1.82 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 121 SER OG : rot 57:sc= 1.29 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -115:sc= -0.282! (180deg=-7.11!) USER MOD Single : A 124 TYR OH : rot 150:sc= 0 USER MOD Single : A 126 TYR OH : rot 151:sc= -0.135 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN :FLIP amide:sc= -3.17! C(o=-5.8!,f=-3.2!) USER MOD Single : A 144 THR OG1 : rot -77:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -10.245 0.090 -10.581 1.00 0.00 N ATOM 309 CA HIS A 22 -10.520 -0.852 -9.498 1.00 0.00 C ATOM 310 C HIS A 22 -9.322 -1.768 -9.279 1.00 0.00 C ATOM 311 O HIS A 22 -9.269 -2.874 -9.817 1.00 0.00 O ATOM 312 CB HIS A 22 -11.764 -1.684 -9.814 1.00 0.00 C ATOM 313 CG HIS A 22 -11.792 -2.222 -11.212 1.00 0.00 C ATOM 314 ND1 HIS A 22 -10.787 -2.483 -12.086 1.00 0.00 N flip ATOM 315 CD2 HIS A 22 -12.958 -2.560 -11.865 1.00 0.00 C flip ATOM 316 CE1 HIS A 22 -11.363 -2.966 -13.234 1.00 0.00 C flip ATOM 317 NE2 HIS A 22 -12.673 -3.004 -13.076 1.00 0.00 N flip ATOM 0 HA HIS A 22 -10.703 -0.284 -8.586 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.821 -2.517 -9.113 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.651 -1.071 -9.653 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -9.790 -2.346 -11.920 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.952 -2.475 -11.450 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.830 -3.267 -14.124 1.00 0.00 H new ATOM 326 N ILE A 23 -8.352 -1.292 -8.506 1.00 0.00 N ATOM 327 CA ILE A 23 -7.142 -2.057 -8.242 1.00 0.00 C ATOM 328 C ILE A 23 -6.657 -1.874 -6.793 1.00 0.00 C ATOM 329 O ILE A 23 -7.092 -2.592 -5.883 1.00 0.00 O ATOM 330 CB ILE A 23 -6.030 -1.640 -9.238 1.00 0.00 C ATOM 331 CG1 ILE A 23 -6.377 -2.110 -10.655 1.00 0.00 C ATOM 332 CG2 ILE A 23 -4.675 -2.177 -8.814 1.00 0.00 C ATOM 333 CD1 ILE A 23 -6.606 -0.973 -11.626 1.00 0.00 C ATOM 0 H ILE A 23 -8.381 -0.379 -8.052 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.375 -3.113 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.970 -0.552 -9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.570 -2.740 -11.029 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.273 -2.730 -10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.919 -1.866 -9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.421 -1.786 -7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.711 -3.266 -8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.847 -1.377 -12.609 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.433 -0.355 -11.275 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.703 -0.366 -11.695 1.00 0.00 H new ATOM 345 N HIS A 24 -5.752 -0.914 -6.580 1.00 0.00 N ATOM 346 CA HIS A 24 -5.211 -0.653 -5.251 1.00 0.00 C ATOM 347 C HIS A 24 -6.084 0.343 -4.487 1.00 0.00 C ATOM 348 O HIS A 24 -5.573 1.198 -3.764 1.00 0.00 O ATOM 349 CB HIS A 24 -3.783 -0.120 -5.353 1.00 0.00 C ATOM 350 CG HIS A 24 -2.891 -0.953 -6.221 1.00 0.00 C ATOM 351 ND1 HIS A 24 -3.098 -2.297 -6.447 1.00 0.00 N ATOM 352 CD2 HIS A 24 -1.781 -0.622 -6.920 1.00 0.00 C ATOM 353 CE1 HIS A 24 -2.153 -2.757 -7.248 1.00 0.00 C ATOM 354 NE2 HIS A 24 -1.340 -1.760 -7.549 1.00 0.00 N ATOM 0 H HIS A 24 -5.382 -0.308 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.203 -1.595 -4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.811 0.897 -5.745 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.353 -0.064 -4.353 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -3.861 -2.850 -6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.326 0.356 -6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.061 -3.775 -7.597 1.00 0.00 H new ATOM 363 N TRP A 25 -7.399 0.231 -4.658 1.00 0.00 N ATOM 364 CA TRP A 25 -8.340 1.133 -3.994 1.00 0.00 C ATOM 365 C TRP A 25 -9.705 0.494 -3.789 1.00 0.00 C ATOM 366 O TRP A 25 -10.534 1.042 -3.063 1.00 0.00 O ATOM 367 CB TRP A 25 -8.518 2.408 -4.815 1.00 0.00 C ATOM 368 CG TRP A 25 -8.037 2.247 -6.214 1.00 0.00 C ATOM 369 CD1 TRP A 25 -8.772 1.877 -7.292 1.00 0.00 C ATOM 370 CD2 TRP A 25 -6.702 2.432 -6.677 1.00 0.00 C ATOM 371 NE1 TRP A 25 -7.974 1.819 -8.401 1.00 0.00 N ATOM 372 CE2 TRP A 25 -6.697 2.162 -8.053 1.00 0.00 C ATOM 373 CE3 TRP A 25 -5.512 2.804 -6.058 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -5.542 2.252 -8.825 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -4.368 2.894 -6.817 1.00 0.00 C ATOM 376 CH2 TRP A 25 -4.387 2.621 -8.191 1.00 0.00 C ATOM 0 H TRP A 25 -7.838 -0.474 -5.250 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.917 1.363 -3.016 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.571 2.688 -4.825 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.976 3.224 -4.338 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -9.830 1.660 -7.277 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.282 1.561 -9.338 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -5.487 3.018 -5.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.557 2.039 -9.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -3.439 3.180 -6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -3.473 2.703 -8.760 1.00 0.00 H new ATOM 387 N ARG A 26 -9.950 -0.652 -4.433 1.00 0.00 N ATOM 388 CA ARG A 26 -11.247 -1.334 -4.303 1.00 0.00 C ATOM 389 C ARG A 26 -11.894 -1.047 -2.949 1.00 0.00 C ATOM 390 O ARG A 26 -13.012 -0.537 -2.877 1.00 0.00 O ATOM 391 CB ARG A 26 -11.050 -2.834 -4.443 1.00 0.00 C ATOM 392 CG ARG A 26 -12.250 -3.631 -4.919 1.00 0.00 C ATOM 393 CD ARG A 26 -13.478 -3.406 -4.050 1.00 0.00 C ATOM 394 NE ARG A 26 -14.447 -2.518 -4.688 1.00 0.00 N ATOM 395 CZ ARG A 26 -15.339 -2.921 -5.591 1.00 0.00 C ATOM 396 NH1 ARG A 26 -15.387 -4.193 -5.966 1.00 0.00 N ATOM 397 NH2 ARG A 26 -16.185 -2.048 -6.122 1.00 0.00 N ATOM 0 H ARG A 26 -9.280 -1.123 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.902 -0.960 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.228 -3.007 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.739 -3.229 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.481 -3.355 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.000 -4.692 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.951 -4.364 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.172 -2.981 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.440 -1.532 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.738 -4.869 -5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.073 -4.495 -6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.152 -1.069 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.868 -2.356 -6.814 1.00 0.00 H new ATOM 411 N THR A 27 -11.173 -1.384 -1.877 1.00 0.00 N ATOM 412 CA THR A 27 -11.656 -1.173 -0.514 1.00 0.00 C ATOM 413 C THR A 27 -10.697 -1.797 0.496 1.00 0.00 C ATOM 414 O THR A 27 -10.017 -2.778 0.195 1.00 0.00 O ATOM 415 CB THR A 27 -13.052 -1.777 -0.332 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.494 -1.619 1.005 1.00 0.00 O ATOM 417 CG2 THR A 27 -13.112 -3.252 -0.663 1.00 0.00 C ATOM 0 H THR A 27 -10.246 -1.807 -1.930 1.00 0.00 H new ATOM 0 HA THR A 27 -11.710 -0.098 -0.341 1.00 0.00 H new ATOM 0 HB THR A 27 -13.695 -1.238 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.388 -2.009 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.128 -3.617 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.821 -3.404 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.430 -3.799 -0.012 1.00 0.00 H new ATOM 425 N LEU A 28 -10.648 -1.225 1.694 1.00 0.00 N ATOM 426 CA LEU A 28 -9.771 -1.730 2.745 1.00 0.00 C ATOM 427 C LEU A 28 -10.381 -2.955 3.422 1.00 0.00 C ATOM 428 O LEU A 28 -9.664 -3.845 3.877 1.00 0.00 O ATOM 429 CB LEU A 28 -9.504 -0.641 3.784 1.00 0.00 C ATOM 430 CG LEU A 28 -8.194 -0.796 4.559 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.688 0.557 5.031 1.00 0.00 C ATOM 432 CD2 LEU A 28 -8.384 -1.739 5.739 1.00 0.00 C ATOM 0 H LEU A 28 -11.204 -0.413 1.962 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.827 -2.023 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.500 0.326 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.330 -0.627 4.495 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.447 -1.225 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.756 0.425 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.514 1.201 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.431 1.016 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.443 -1.839 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.146 -1.337 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.699 -2.717 5.376 1.00 0.00 H new ATOM 444 N GLU A 29 -11.708 -2.991 3.486 1.00 0.00 N ATOM 445 CA GLU A 29 -12.412 -4.106 4.109 1.00 0.00 C ATOM 446 C GLU A 29 -12.216 -5.390 3.308 1.00 0.00 C ATOM 447 O GLU A 29 -11.476 -6.284 3.720 1.00 0.00 O ATOM 448 CB GLU A 29 -13.904 -3.787 4.237 1.00 0.00 C ATOM 449 CG GLU A 29 -14.380 -3.680 5.676 1.00 0.00 C ATOM 450 CD GLU A 29 -15.212 -4.870 6.108 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.334 -5.032 5.584 1.00 0.00 O ATOM 452 OE2 GLU A 29 -14.741 -5.643 6.969 1.00 0.00 O ATOM 0 H GLU A 29 -12.317 -2.262 3.115 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.995 -4.257 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.112 -2.849 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.478 -4.562 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.516 -3.588 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.968 -2.770 5.793 1.00 0.00 H new ATOM 459 N ASP A 30 -12.886 -5.476 2.161 1.00 0.00 N ATOM 460 CA ASP A 30 -12.786 -6.652 1.303 1.00 0.00 C ATOM 461 C ASP A 30 -11.334 -6.942 0.935 1.00 0.00 C ATOM 462 O ASP A 30 -10.947 -8.097 0.750 1.00 0.00 O ATOM 463 CB ASP A 30 -13.614 -6.456 0.031 1.00 0.00 C ATOM 464 CG ASP A 30 -15.006 -5.931 0.326 1.00 0.00 C ATOM 465 OD1 ASP A 30 -15.116 -4.871 0.978 1.00 0.00 O ATOM 466 OD2 ASP A 30 -15.986 -6.577 -0.098 1.00 0.00 O ATOM 0 H ASP A 30 -13.503 -4.746 1.805 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.178 -7.504 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.099 -5.761 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.691 -7.405 -0.500 1.00 0.00 H new ATOM 471 N GLY A 31 -10.532 -5.886 0.831 1.00 0.00 N ATOM 472 CA GLY A 31 -9.132 -6.049 0.485 1.00 0.00 C ATOM 473 C GLY A 31 -8.394 -6.947 1.459 1.00 0.00 C ATOM 474 O GLY A 31 -7.596 -7.791 1.051 1.00 0.00 O ATOM 0 H GLY A 31 -10.827 -4.921 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.055 -6.467 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.651 -5.071 0.461 1.00 0.00 H new ATOM 478 N LYS A 32 -8.657 -6.763 2.749 1.00 0.00 N ATOM 479 CA LYS A 32 -8.009 -7.561 3.782 1.00 0.00 C ATOM 480 C LYS A 32 -8.489 -9.008 3.739 1.00 0.00 C ATOM 481 O LYS A 32 -7.685 -9.939 3.694 1.00 0.00 O ATOM 482 CB LYS A 32 -8.281 -6.964 5.164 1.00 0.00 C ATOM 483 CG LYS A 32 -7.292 -7.413 6.227 1.00 0.00 C ATOM 484 CD LYS A 32 -7.790 -8.642 6.972 1.00 0.00 C ATOM 485 CE LYS A 32 -6.819 -9.805 6.847 1.00 0.00 C ATOM 486 NZ LYS A 32 -6.958 -10.770 7.972 1.00 0.00 N ATOM 0 H LYS A 32 -9.314 -6.068 3.103 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.936 -7.548 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.255 -5.877 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.288 -7.239 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.332 -7.634 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.124 -6.601 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.932 -8.397 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.763 -8.936 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.991 -10.322 5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.798 -9.424 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.278 -11.547 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.768 -10.284 8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.925 -11.154 7.983 1.00 0.00 H new ATOM 500 N LYS A 33 -9.807 -9.191 3.753 1.00 0.00 N ATOM 501 CA LYS A 33 -10.394 -10.526 3.717 1.00 0.00 C ATOM 502 C LYS A 33 -9.974 -11.273 2.455 1.00 0.00 C ATOM 503 O LYS A 33 -9.813 -12.494 2.470 1.00 0.00 O ATOM 504 CB LYS A 33 -11.919 -10.438 3.789 1.00 0.00 C ATOM 505 CG LYS A 33 -12.584 -11.745 4.193 1.00 0.00 C ATOM 506 CD LYS A 33 -13.723 -12.107 3.251 1.00 0.00 C ATOM 507 CE LYS A 33 -13.770 -13.604 2.986 1.00 0.00 C ATOM 508 NZ LYS A 33 -14.546 -13.926 1.757 1.00 0.00 N ATOM 0 H LYS A 33 -10.487 -8.432 3.789 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.028 -11.079 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.197 -9.662 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.303 -10.129 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.844 -12.545 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.965 -11.661 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.670 -11.782 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.601 -11.573 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.754 -13.987 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.218 -14.110 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.554 -14.956 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.522 -13.583 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.104 -13.464 0.937 1.00 0.00 H new ATOM 522 N GLU A 34 -9.798 -10.534 1.365 1.00 0.00 N ATOM 523 CA GLU A 34 -9.398 -11.128 0.096 1.00 0.00 C ATOM 524 C GLU A 34 -7.949 -11.599 0.148 1.00 0.00 C ATOM 525 O GLU A 34 -7.643 -12.736 -0.213 1.00 0.00 O ATOM 526 CB GLU A 34 -9.579 -10.125 -1.042 1.00 0.00 C ATOM 527 CG GLU A 34 -9.334 -10.722 -2.417 1.00 0.00 C ATOM 528 CD GLU A 34 -10.334 -10.235 -3.449 1.00 0.00 C ATOM 529 OE1 GLU A 34 -11.426 -10.834 -3.545 1.00 0.00 O ATOM 530 OE2 GLU A 34 -10.025 -9.257 -4.160 1.00 0.00 O ATOM 0 H GLU A 34 -9.926 -9.523 1.335 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.036 -11.992 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.591 -9.722 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.897 -9.288 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.326 -10.469 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.384 -11.809 -2.352 1.00 0.00 H new ATOM 537 N ALA A 35 -7.061 -10.718 0.599 1.00 0.00 N ATOM 538 CA ALA A 35 -5.644 -11.045 0.700 1.00 0.00 C ATOM 539 C ALA A 35 -5.424 -12.295 1.548 1.00 0.00 C ATOM 540 O ALA A 35 -4.413 -12.982 1.407 1.00 0.00 O ATOM 541 CB ALA A 35 -4.873 -9.870 1.283 1.00 0.00 C ATOM 0 H ALA A 35 -7.298 -9.773 0.900 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.273 -11.250 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.816 -10.127 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.993 -9.000 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.257 -9.640 2.277 1.00 0.00 H new ATOM 547 N ALA A 36 -6.377 -12.583 2.429 1.00 0.00 N ATOM 548 CA ALA A 36 -6.289 -13.748 3.301 1.00 0.00 C ATOM 549 C ALA A 36 -6.366 -15.042 2.499 1.00 0.00 C ATOM 550 O ALA A 36 -5.672 -16.013 2.800 1.00 0.00 O ATOM 551 CB ALA A 36 -7.394 -13.707 4.344 1.00 0.00 C ATOM 0 H ALA A 36 -7.220 -12.024 2.558 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.323 -13.722 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.318 -14.582 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.294 -12.803 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.364 -13.706 3.847 1.00 0.00 H new ATOM 557 N ALA A 37 -7.217 -15.052 1.477 1.00 0.00 N ATOM 558 CA ALA A 37 -7.387 -16.230 0.632 1.00 0.00 C ATOM 559 C ALA A 37 -6.053 -16.684 0.045 1.00 0.00 C ATOM 560 O ALA A 37 -5.491 -17.694 0.465 1.00 0.00 O ATOM 561 CB ALA A 37 -8.388 -15.943 -0.478 1.00 0.00 C ATOM 0 H ALA A 37 -7.800 -14.257 1.214 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.773 -17.039 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.505 -16.830 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.350 -15.677 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.026 -15.116 -1.089 1.00 0.00 H new ATOM 567 N SER A 38 -5.552 -15.929 -0.928 1.00 0.00 N ATOM 568 CA SER A 38 -4.284 -16.255 -1.568 1.00 0.00 C ATOM 569 C SER A 38 -3.117 -15.985 -0.626 1.00 0.00 C ATOM 570 O SER A 38 -2.071 -16.631 -0.715 1.00 0.00 O ATOM 571 CB SER A 38 -4.114 -15.445 -2.855 1.00 0.00 C ATOM 572 OG SER A 38 -4.656 -16.136 -3.967 1.00 0.00 O ATOM 0 H SER A 38 -6.004 -15.089 -1.289 1.00 0.00 H new ATOM 0 HA SER A 38 -4.292 -17.317 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.607 -14.479 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.056 -15.246 -3.027 1.00 0.00 H new ATOM 0 HG SER A 38 -4.536 -15.597 -4.777 1.00 0.00 H new ATOM 578 N GLY A 39 -3.301 -15.028 0.278 1.00 0.00 N ATOM 579 CA GLY A 39 -2.257 -14.689 1.226 1.00 0.00 C ATOM 580 C GLY A 39 -1.316 -13.626 0.695 1.00 0.00 C ATOM 581 O GLY A 39 -0.150 -13.571 1.087 1.00 0.00 O ATOM 0 H GLY A 39 -4.157 -14.481 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.712 -14.338 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.687 -15.585 1.470 1.00 0.00 H new ATOM 585 N LEU A 40 -1.820 -12.779 -0.195 1.00 0.00 N ATOM 586 CA LEU A 40 -1.010 -11.714 -0.774 1.00 0.00 C ATOM 587 C LEU A 40 -1.114 -10.439 0.065 1.00 0.00 C ATOM 588 O LEU A 40 -2.138 -10.186 0.701 1.00 0.00 O ATOM 589 CB LEU A 40 -1.433 -11.444 -2.222 1.00 0.00 C ATOM 590 CG LEU A 40 -2.761 -10.704 -2.393 1.00 0.00 C ATOM 591 CD1 LEU A 40 -2.511 -9.234 -2.677 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.590 -11.332 -3.506 1.00 0.00 C ATOM 0 H LEU A 40 -2.783 -12.809 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 40 0.031 -12.037 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.649 -10.865 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.498 -12.397 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.324 -10.788 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.464 -8.719 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.961 -8.791 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.928 -9.134 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.530 -10.790 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.037 -11.282 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.797 -12.374 -3.262 1.00 0.00 H new ATOM 604 N PRO A 41 -0.043 -9.628 0.090 1.00 0.00 N ATOM 605 CA PRO A 41 0.000 -8.381 0.869 1.00 0.00 C ATOM 606 C PRO A 41 -1.009 -7.337 0.398 1.00 0.00 C ATOM 607 O PRO A 41 -1.587 -7.449 -0.684 1.00 0.00 O ATOM 608 CB PRO A 41 1.428 -7.871 0.656 1.00 0.00 C ATOM 609 CG PRO A 41 1.877 -8.518 -0.607 1.00 0.00 C ATOM 610 CD PRO A 41 1.221 -9.867 -0.627 1.00 0.00 C ATOM 0 HA PRO A 41 -0.259 -8.562 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.452 -6.784 0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.074 -8.142 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.584 -7.927 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.963 -8.610 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.048 -10.217 -1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.831 -10.621 -0.130 1.00 0.00 H new ATOM 618 N LEU A 42 -1.213 -6.319 1.228 1.00 0.00 N ATOM 619 CA LEU A 42 -2.147 -5.245 0.915 1.00 0.00 C ATOM 620 C LEU A 42 -1.431 -4.072 0.248 1.00 0.00 C ATOM 621 O LEU A 42 -0.370 -3.634 0.703 1.00 0.00 O ATOM 622 CB LEU A 42 -2.854 -4.772 2.187 1.00 0.00 C ATOM 623 CG LEU A 42 -4.215 -5.418 2.453 1.00 0.00 C ATOM 624 CD1 LEU A 42 -4.089 -6.933 2.494 1.00 0.00 C ATOM 625 CD2 LEU A 42 -4.807 -4.894 3.753 1.00 0.00 C ATOM 0 H LEU A 42 -0.741 -6.216 2.126 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.888 -5.634 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.204 -4.968 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.987 -3.692 2.129 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.888 -5.153 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.067 -7.374 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.708 -7.292 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.401 -7.219 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.775 -5.364 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.136 -5.129 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.935 -3.814 3.685 1.00 0.00 H new ATOM 637 N MET A 43 -2.028 -3.566 -0.830 1.00 0.00 N ATOM 638 CA MET A 43 -1.468 -2.440 -1.569 1.00 0.00 C ATOM 639 C MET A 43 -2.009 -1.123 -1.028 1.00 0.00 C ATOM 640 O MET A 43 -3.152 -0.750 -1.307 1.00 0.00 O ATOM 641 CB MET A 43 -1.808 -2.559 -3.059 1.00 0.00 C ATOM 642 CG MET A 43 -0.876 -1.776 -3.977 1.00 0.00 C ATOM 643 SD MET A 43 0.871 -2.071 -3.636 1.00 0.00 S ATOM 644 CE MET A 43 1.221 -0.719 -2.515 1.00 0.00 C ATOM 0 H MET A 43 -2.905 -3.922 -1.211 1.00 0.00 H new ATOM 0 HA MET A 43 -0.385 -2.457 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.781 -3.611 -3.344 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.830 -2.213 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.088 -2.043 -5.012 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.085 -0.711 -3.874 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.014 -0.097 -2.931 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.322 -0.118 -2.378 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.541 -1.118 -1.552 1.00 0.00 H new ATOM 654 N VAL A 44 -1.188 -0.426 -0.252 1.00 0.00 N ATOM 655 CA VAL A 44 -1.599 0.842 0.328 1.00 0.00 C ATOM 656 C VAL A 44 -1.065 2.024 -0.463 1.00 0.00 C ATOM 657 O VAL A 44 0.138 2.156 -0.680 1.00 0.00 O ATOM 658 CB VAL A 44 -1.147 0.971 1.791 1.00 0.00 C ATOM 659 CG1 VAL A 44 -1.671 2.260 2.408 1.00 0.00 C ATOM 660 CG2 VAL A 44 -1.613 -0.232 2.584 1.00 0.00 C ATOM 0 H VAL A 44 -0.240 -0.717 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.688 0.854 0.290 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.058 1.007 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.338 2.329 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.290 3.113 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.761 2.262 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.289 -0.133 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.701 -0.292 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.186 -1.138 2.155 1.00 0.00 H new ATOM 670 N ILE A 45 -1.978 2.889 -0.876 1.00 0.00 N ATOM 671 CA ILE A 45 -1.628 4.080 -1.628 1.00 0.00 C ATOM 672 C ILE A 45 -2.409 5.272 -1.093 1.00 0.00 C ATOM 673 O ILE A 45 -3.592 5.435 -1.391 1.00 0.00 O ATOM 674 CB ILE A 45 -1.921 3.909 -3.133 1.00 0.00 C ATOM 675 CG1 ILE A 45 -1.116 2.740 -3.702 1.00 0.00 C ATOM 676 CG2 ILE A 45 -1.610 5.193 -3.893 1.00 0.00 C ATOM 677 CD1 ILE A 45 -1.804 2.045 -4.854 1.00 0.00 C ATOM 0 H ILE A 45 -2.977 2.785 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.558 4.248 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.982 3.691 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.144 3.105 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.930 2.016 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.824 5.050 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.226 6.004 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.557 5.445 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.179 1.226 -5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.764 1.651 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.966 2.756 -5.664 1.00 0.00 H new ATOM 689 N ILE A 46 -1.749 6.091 -0.288 1.00 0.00 N ATOM 690 CA ILE A 46 -2.392 7.253 0.293 1.00 0.00 C ATOM 691 C ILE A 46 -1.819 8.534 -0.279 1.00 0.00 C ATOM 692 O ILE A 46 -0.628 8.616 -0.583 1.00 0.00 O ATOM 693 CB ILE A 46 -2.255 7.259 1.822 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.613 5.885 2.382 1.00 0.00 C ATOM 695 CG2 ILE A 46 -3.147 8.327 2.431 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.665 5.411 3.459 1.00 0.00 C ATOM 0 H ILE A 46 -0.771 5.970 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.451 7.198 0.040 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.221 7.487 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.624 5.918 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.619 5.160 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.038 8.317 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.859 9.305 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.186 8.126 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.978 4.429 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.656 5.346 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.677 6.116 4.290 1.00 0.00 H new ATOM 708 N HIS A 47 -2.678 9.524 -0.447 1.00 0.00 N ATOM 709 CA HIS A 47 -2.260 10.799 -1.010 1.00 0.00 C ATOM 710 C HIS A 47 -3.043 11.955 -0.405 1.00 0.00 C ATOM 711 O HIS A 47 -4.251 12.064 -0.605 1.00 0.00 O ATOM 712 CB HIS A 47 -2.473 10.775 -2.519 1.00 0.00 C ATOM 713 CG HIS A 47 -3.860 10.366 -2.903 1.00 0.00 C ATOM 714 ND1 HIS A 47 -4.654 11.109 -3.749 1.00 0.00 N ATOM 715 CD2 HIS A 47 -4.604 9.290 -2.537 1.00 0.00 C ATOM 716 CE1 HIS A 47 -5.825 10.515 -3.886 1.00 0.00 C ATOM 717 NE2 HIS A 47 -5.822 9.410 -3.163 1.00 0.00 N ATOM 0 H HIS A 47 -3.667 9.472 -0.203 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.205 10.947 -0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.265 11.764 -2.926 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.758 10.088 -2.971 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.380 11.982 -4.199 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.297 8.491 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.647 10.873 -4.488 1.00 0.00 H new ATOM 726 N LYS A 48 -2.353 12.823 0.329 1.00 0.00 N ATOM 727 CA LYS A 48 -3.019 13.971 0.947 1.00 0.00 C ATOM 728 C LYS A 48 -2.432 15.295 0.459 1.00 0.00 C ATOM 729 O LYS A 48 -1.582 15.888 1.121 1.00 0.00 O ATOM 730 CB LYS A 48 -2.935 13.891 2.471 1.00 0.00 C ATOM 731 CG LYS A 48 -4.212 13.392 3.126 1.00 0.00 C ATOM 732 CD LYS A 48 -4.296 13.821 4.583 1.00 0.00 C ATOM 733 CE LYS A 48 -5.407 14.837 4.803 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.905 16.236 4.718 1.00 0.00 N ATOM 0 H LYS A 48 -1.351 12.759 0.510 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.066 13.936 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.113 13.230 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.696 14.879 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.075 13.776 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.254 12.305 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.471 12.947 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.343 14.250 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.189 14.686 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.861 14.673 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.692 16.897 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.176 16.388 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.495 16.401 3.777 1.00 0.00 H new ATOM 748 N SER A 49 -2.904 15.757 -0.696 1.00 0.00 N ATOM 749 CA SER A 49 -2.437 17.018 -1.268 1.00 0.00 C ATOM 750 C SER A 49 -0.924 17.006 -1.469 1.00 0.00 C ATOM 751 O SER A 49 -0.217 16.189 -0.882 1.00 0.00 O ATOM 752 CB SER A 49 -2.832 18.187 -0.364 1.00 0.00 C ATOM 753 OG SER A 49 -4.076 18.739 -0.758 1.00 0.00 O ATOM 0 H SER A 49 -3.610 15.277 -1.255 1.00 0.00 H new ATOM 0 HA SER A 49 -2.910 17.140 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.893 17.847 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.061 18.957 -0.402 1.00 0.00 H new ATOM 0 HG SER A 49 -4.307 19.483 -0.164 1.00 0.00 H new ATOM 759 N TRP A 50 -0.437 17.920 -2.306 1.00 0.00 N ATOM 760 CA TRP A 50 0.995 18.018 -2.590 1.00 0.00 C ATOM 761 C TRP A 50 1.588 16.637 -2.854 1.00 0.00 C ATOM 762 O TRP A 50 2.753 16.377 -2.548 1.00 0.00 O ATOM 763 CB TRP A 50 1.734 18.684 -1.423 1.00 0.00 C ATOM 764 CG TRP A 50 0.878 19.621 -0.621 1.00 0.00 C ATOM 765 CD1 TRP A 50 0.205 19.334 0.531 1.00 0.00 C ATOM 766 CD2 TRP A 50 0.602 20.996 -0.915 1.00 0.00 C ATOM 767 NE1 TRP A 50 -0.471 20.444 0.973 1.00 0.00 N ATOM 768 CE2 TRP A 50 -0.244 21.478 0.103 1.00 0.00 C ATOM 769 CE3 TRP A 50 0.988 21.868 -1.937 1.00 0.00 C ATOM 770 CZ2 TRP A 50 -0.709 22.790 0.127 1.00 0.00 C ATOM 771 CZ3 TRP A 50 0.524 23.170 -1.913 1.00 0.00 C ATOM 772 CH2 TRP A 50 -0.315 23.620 -0.887 1.00 0.00 C ATOM 0 H TRP A 50 -1.012 18.603 -2.799 1.00 0.00 H new ATOM 0 HA TRP A 50 1.118 18.632 -3.482 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.126 17.910 -0.763 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.591 19.233 -1.813 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.204 18.373 1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -1.048 20.491 1.813 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.637 21.531 -2.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.357 23.140 0.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.814 23.851 -2.699 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.659 24.644 -0.896 1.00 0.00 H new ATOM 783 N CYS A 51 0.770 15.750 -3.411 1.00 0.00 N ATOM 784 CA CYS A 51 1.198 14.388 -3.703 1.00 0.00 C ATOM 785 C CYS A 51 1.435 14.193 -5.201 1.00 0.00 C ATOM 786 O CYS A 51 0.488 14.023 -5.969 1.00 0.00 O ATOM 787 CB CYS A 51 0.142 13.393 -3.199 1.00 0.00 C ATOM 788 SG CYS A 51 0.237 11.727 -3.944 1.00 0.00 S ATOM 0 H CYS A 51 -0.196 15.952 -3.670 1.00 0.00 H new ATOM 0 HA CYS A 51 2.141 14.206 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.241 13.298 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.848 13.806 -3.394 1.00 0.00 H new ATOM 793 N GLY A 52 2.700 14.193 -5.608 1.00 0.00 N ATOM 794 CA GLY A 52 3.023 13.987 -7.009 1.00 0.00 C ATOM 795 C GLY A 52 3.127 12.513 -7.338 1.00 0.00 C ATOM 796 O GLY A 52 2.902 12.103 -8.477 1.00 0.00 O ATOM 0 H GLY A 52 3.505 14.331 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.257 14.448 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.965 14.482 -7.244 1.00 0.00 H new ATOM 800 N ALA A 53 3.456 11.712 -6.325 1.00 0.00 N ATOM 801 CA ALA A 53 3.577 10.271 -6.496 1.00 0.00 C ATOM 802 C ALA A 53 2.268 9.677 -6.990 1.00 0.00 C ATOM 803 O ALA A 53 2.243 8.572 -7.527 1.00 0.00 O ATOM 804 CB ALA A 53 3.998 9.619 -5.189 1.00 0.00 C ATOM 0 H ALA A 53 3.643 12.040 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 53 4.344 10.076 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.085 8.542 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.961 10.022 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.251 9.825 -4.422 1.00 0.00 H new ATOM 810 N CYS A 54 1.185 10.421 -6.811 1.00 0.00 N ATOM 811 CA CYS A 54 -0.122 9.973 -7.251 1.00 0.00 C ATOM 812 C CYS A 54 -0.589 10.787 -8.458 1.00 0.00 C ATOM 813 O CYS A 54 -1.449 10.346 -9.221 1.00 0.00 O ATOM 814 CB CYS A 54 -1.135 10.088 -6.110 1.00 0.00 C ATOM 815 SG CYS A 54 -1.222 11.748 -5.359 1.00 0.00 S ATOM 0 H CYS A 54 1.189 11.338 -6.363 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.047 8.927 -7.547 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.122 9.818 -6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.879 9.364 -5.337 1.00 0.00 H new ATOM 820 N LYS A 55 -0.011 11.977 -8.625 1.00 0.00 N ATOM 821 CA LYS A 55 -0.365 12.854 -9.735 1.00 0.00 C ATOM 822 C LYS A 55 0.012 12.230 -11.076 1.00 0.00 C ATOM 823 O LYS A 55 -0.838 12.073 -11.952 1.00 0.00 O ATOM 824 CB LYS A 55 0.319 14.213 -9.584 1.00 0.00 C ATOM 825 CG LYS A 55 -0.482 15.360 -10.179 1.00 0.00 C ATOM 826 CD LYS A 55 0.347 16.631 -10.268 1.00 0.00 C ATOM 827 CE LYS A 55 -0.375 17.711 -11.059 1.00 0.00 C ATOM 828 NZ LYS A 55 0.287 19.037 -10.921 1.00 0.00 N ATOM 0 H LYS A 55 0.705 12.354 -8.004 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.446 12.994 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.491 14.410 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.297 14.175 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.833 15.083 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.366 15.543 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.564 16.997 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.304 16.410 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.408 17.429 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.407 17.783 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.236 19.745 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.296 19.318 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.264 18.975 -11.272 1.00 0.00 H new ATOM 842 N ALA A 56 1.284 11.867 -11.235 1.00 0.00 N ATOM 843 CA ALA A 56 1.737 11.254 -12.480 1.00 0.00 C ATOM 844 C ALA A 56 1.384 9.778 -12.508 1.00 0.00 C ATOM 845 O ALA A 56 1.339 9.161 -13.570 1.00 0.00 O ATOM 846 CB ALA A 56 3.236 11.452 -12.653 1.00 0.00 C ATOM 0 H ALA A 56 2.009 11.985 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 56 1.227 11.741 -13.311 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.559 10.989 -13.586 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.462 12.518 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.763 10.990 -11.818 1.00 0.00 H new ATOM 852 N LEU A 57 1.129 9.218 -11.336 1.00 0.00 N ATOM 853 CA LEU A 57 0.777 7.817 -11.231 1.00 0.00 C ATOM 854 C LEU A 57 -0.637 7.555 -11.746 1.00 0.00 C ATOM 855 O LEU A 57 -0.982 6.428 -12.052 1.00 0.00 O ATOM 856 CB LEU A 57 0.905 7.350 -9.780 1.00 0.00 C ATOM 857 CG LEU A 57 2.232 6.669 -9.437 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.335 5.319 -10.130 1.00 0.00 C ATOM 859 CD2 LEU A 57 3.403 7.560 -9.824 1.00 0.00 C ATOM 0 H LEU A 57 1.160 9.715 -10.446 1.00 0.00 H new ATOM 0 HA LEU A 57 1.469 7.250 -11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.775 8.211 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.091 6.658 -9.563 1.00 0.00 H new ATOM 0 HG LEU A 57 2.266 6.504 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.285 4.850 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.515 4.679 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.279 5.459 -11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.339 7.060 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.372 7.756 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.338 8.503 -9.281 1.00 0.00 H new ATOM 871 N LYS A 58 -1.462 8.592 -11.832 1.00 0.00 N ATOM 872 CA LYS A 58 -2.836 8.412 -12.301 1.00 0.00 C ATOM 873 C LYS A 58 -2.900 8.118 -13.808 1.00 0.00 C ATOM 874 O LYS A 58 -3.478 7.110 -14.220 1.00 0.00 O ATOM 875 CB LYS A 58 -3.692 9.637 -11.954 1.00 0.00 C ATOM 876 CG LYS A 58 -5.128 9.540 -12.446 1.00 0.00 C ATOM 877 CD LYS A 58 -5.758 10.916 -12.601 1.00 0.00 C ATOM 878 CE LYS A 58 -5.899 11.304 -14.065 1.00 0.00 C ATOM 879 NZ LYS A 58 -5.537 12.728 -14.303 1.00 0.00 N ATOM 0 H LYS A 58 -1.213 9.551 -11.589 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.241 7.542 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.696 9.771 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.230 10.526 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.152 9.018 -13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.715 8.947 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.739 10.924 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.148 11.657 -12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.262 10.662 -14.673 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.926 11.132 -14.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.647 12.950 -15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.161 13.343 -13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.549 12.887 -14.019 1.00 0.00 H new ATOM 893 N PRO A 59 -2.314 8.985 -14.656 1.00 0.00 N ATOM 894 CA PRO A 59 -2.332 8.796 -16.113 1.00 0.00 C ATOM 895 C PRO A 59 -1.429 7.659 -16.574 1.00 0.00 C ATOM 896 O PRO A 59 -1.611 7.114 -17.662 1.00 0.00 O ATOM 897 CB PRO A 59 -1.821 10.134 -16.669 1.00 0.00 C ATOM 898 CG PRO A 59 -1.767 11.065 -15.504 1.00 0.00 C ATOM 899 CD PRO A 59 -1.598 10.207 -14.284 1.00 0.00 C ATOM 0 HA PRO A 59 -3.329 8.527 -16.461 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.837 10.018 -17.123 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.486 10.515 -17.444 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.938 11.765 -15.604 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.679 11.658 -15.438 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.548 10.012 -14.067 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.026 10.674 -13.397 1.00 0.00 H new ATOM 907 N LYS A 60 -0.460 7.297 -15.742 1.00 0.00 N ATOM 908 CA LYS A 60 0.458 6.216 -16.076 1.00 0.00 C ATOM 909 C LYS A 60 -0.047 4.912 -15.493 1.00 0.00 C ATOM 910 O LYS A 60 -0.036 3.882 -16.159 1.00 0.00 O ATOM 911 CB LYS A 60 1.860 6.500 -15.549 1.00 0.00 C ATOM 912 CG LYS A 60 2.002 6.192 -14.073 1.00 0.00 C ATOM 913 CD LYS A 60 3.387 6.536 -13.551 1.00 0.00 C ATOM 914 CE LYS A 60 3.776 7.980 -13.839 1.00 0.00 C ATOM 915 NZ LYS A 60 5.106 8.076 -14.500 1.00 0.00 N ATOM 0 H LYS A 60 -0.290 7.734 -14.836 1.00 0.00 H new ATOM 0 HA LYS A 60 0.507 6.140 -17.162 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.582 5.908 -16.111 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.104 7.548 -15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.254 6.752 -13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.803 5.134 -13.902 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.420 6.362 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.119 5.868 -14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.020 8.439 -14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.793 8.544 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.129 8.915 -15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.848 8.157 -13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.272 7.223 -15.072 1.00 0.00 H new ATOM 929 N PHE A 61 -0.519 4.963 -14.246 1.00 0.00 N ATOM 930 CA PHE A 61 -1.055 3.772 -13.615 1.00 0.00 C ATOM 931 C PHE A 61 -2.227 3.284 -14.441 1.00 0.00 C ATOM 932 O PHE A 61 -2.596 2.118 -14.382 1.00 0.00 O ATOM 933 CB PHE A 61 -1.455 4.025 -12.165 1.00 0.00 C ATOM 934 CG PHE A 61 -1.669 2.767 -11.377 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.909 2.150 -11.338 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.618 2.200 -10.676 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.093 0.989 -10.610 1.00 0.00 C ATOM 938 CE2 PHE A 61 -0.797 1.042 -9.948 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.035 0.435 -9.914 1.00 0.00 C ATOM 0 H PHE A 61 -0.538 5.803 -13.668 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.284 3.003 -13.581 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.681 4.621 -11.681 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.370 4.616 -12.146 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.738 2.579 -11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.354 2.670 -10.700 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.063 0.515 -10.585 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.031 0.611 -9.405 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.178 -0.472 -9.345 1.00 0.00 H new ATOM 949 N ALA A 62 -2.764 4.175 -15.283 1.00 0.00 N ATOM 950 CA ALA A 62 -3.825 3.797 -16.194 1.00 0.00 C ATOM 951 C ALA A 62 -3.304 2.650 -17.067 1.00 0.00 C ATOM 952 O ALA A 62 -4.065 1.855 -17.619 1.00 0.00 O ATOM 953 CB ALA A 62 -4.243 4.993 -17.041 1.00 0.00 C ATOM 0 H ALA A 62 -2.477 5.152 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.707 3.468 -15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.041 4.696 -17.721 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.599 5.792 -16.391 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.388 5.347 -17.617 1.00 0.00 H new ATOM 959 N GLU A 63 -1.968 2.578 -17.133 1.00 0.00 N ATOM 960 CA GLU A 63 -1.235 1.554 -17.862 1.00 0.00 C ATOM 961 C GLU A 63 -1.303 0.230 -17.114 1.00 0.00 C ATOM 962 O GLU A 63 -0.973 -0.827 -17.656 1.00 0.00 O ATOM 963 CB GLU A 63 0.223 1.997 -18.021 1.00 0.00 C ATOM 964 CG GLU A 63 0.977 1.246 -19.108 1.00 0.00 C ATOM 965 CD GLU A 63 1.763 2.167 -20.018 1.00 0.00 C ATOM 966 OE1 GLU A 63 1.170 2.704 -20.977 1.00 0.00 O ATOM 967 OE2 GLU A 63 2.974 2.352 -19.774 1.00 0.00 O ATOM 0 H GLU A 63 -1.359 3.250 -16.667 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.682 1.418 -18.847 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.247 3.063 -18.246 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.740 1.860 -17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.658 0.532 -18.645 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.269 0.671 -19.704 1.00 0.00 H new ATOM 974 N SER A 64 -1.737 0.305 -15.861 1.00 0.00 N ATOM 975 CA SER A 64 -1.868 -0.858 -15.003 1.00 0.00 C ATOM 976 C SER A 64 -2.740 -1.940 -15.628 1.00 0.00 C ATOM 977 O SER A 64 -2.994 -2.958 -14.994 1.00 0.00 O ATOM 978 CB SER A 64 -2.460 -0.442 -13.665 1.00 0.00 C ATOM 979 OG SER A 64 -1.526 0.292 -12.893 1.00 0.00 O ATOM 0 H SER A 64 -2.008 1.180 -15.413 1.00 0.00 H new ATOM 0 HA SER A 64 -0.871 -1.276 -14.864 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.351 0.163 -13.832 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.774 -1.328 -13.113 1.00 0.00 H new ATOM 0 HG SER A 64 -1.955 0.601 -12.068 1.00 0.00 H new ATOM 985 N THR A 65 -3.191 -1.741 -16.866 1.00 0.00 N ATOM 986 CA THR A 65 -4.005 -2.745 -17.535 1.00 0.00 C ATOM 987 C THR A 65 -3.363 -4.107 -17.338 1.00 0.00 C ATOM 988 O THR A 65 -4.039 -5.101 -17.071 1.00 0.00 O ATOM 989 CB THR A 65 -4.131 -2.432 -19.025 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.747 -1.094 -19.294 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.532 -2.622 -19.551 1.00 0.00 C ATOM 0 H THR A 65 -3.007 -0.903 -17.418 1.00 0.00 H new ATOM 0 HA THR A 65 -5.007 -2.743 -17.105 1.00 0.00 H new ATOM 0 HB THR A 65 -3.469 -3.137 -19.528 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.834 -0.915 -20.254 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.557 -2.384 -20.614 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.839 -3.658 -19.404 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.214 -1.962 -19.016 1.00 0.00 H new ATOM 999 N GLU A 66 -2.037 -4.123 -17.424 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.280 -5.340 -17.210 1.00 0.00 C ATOM 1001 C GLU A 66 -1.130 -5.574 -15.721 1.00 0.00 C ATOM 1002 O GLU A 66 -1.096 -6.712 -15.261 1.00 0.00 O ATOM 1003 CB GLU A 66 0.091 -5.263 -17.882 1.00 0.00 C ATOM 1004 CG GLU A 66 0.465 -6.537 -18.615 1.00 0.00 C ATOM 1005 CD GLU A 66 1.832 -7.061 -18.218 1.00 0.00 C ATOM 1006 OE1 GLU A 66 1.992 -7.474 -17.051 1.00 0.00 O ATOM 1007 OE2 GLU A 66 2.741 -7.060 -19.076 1.00 0.00 O ATOM 0 H GLU A 66 -1.469 -3.304 -17.641 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.817 -6.175 -17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.098 -4.430 -18.585 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.848 -5.049 -17.127 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.285 -7.301 -18.413 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.449 -6.351 -19.689 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.087 -4.486 -14.962 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.996 -4.596 -13.521 1.00 0.00 C ATOM 1016 C ILE A 67 -2.325 -5.094 -12.962 1.00 0.00 C ATOM 1017 O ILE A 67 -2.403 -5.526 -11.813 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.615 -3.254 -12.868 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.666 -2.704 -13.497 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.443 -3.422 -11.365 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.073 -1.349 -12.958 1.00 0.00 C ATOM 0 H ILE A 67 -1.114 -3.531 -15.319 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.206 -5.310 -13.286 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.421 -2.541 -13.042 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.477 -3.412 -13.327 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.528 -2.630 -14.576 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.174 -2.464 -10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.378 -3.775 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.346 -4.148 -11.168 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.989 -1.022 -13.450 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.280 -0.627 -13.152 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.243 -1.421 -11.884 1.00 0.00 H new ATOM 1033 N SER A 68 -3.370 -5.048 -13.796 1.00 0.00 N ATOM 1034 CA SER A 68 -4.686 -5.516 -13.393 1.00 0.00 C ATOM 1035 C SER A 68 -4.642 -7.017 -13.156 1.00 0.00 C ATOM 1036 O SER A 68 -5.326 -7.542 -12.276 1.00 0.00 O ATOM 1037 CB SER A 68 -5.728 -5.177 -14.463 1.00 0.00 C ATOM 1038 OG SER A 68 -6.806 -4.441 -13.910 1.00 0.00 O ATOM 0 H SER A 68 -3.323 -4.691 -14.750 1.00 0.00 H new ATOM 0 HA SER A 68 -4.972 -5.015 -12.468 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.260 -4.599 -15.260 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.104 -6.096 -14.913 1.00 0.00 H new ATOM 0 HG SER A 68 -7.457 -4.235 -14.613 1.00 0.00 H new ATOM 1044 N GLU A 69 -3.808 -7.702 -13.934 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.647 -9.142 -13.788 1.00 0.00 C ATOM 1046 C GLU A 69 -2.595 -9.426 -12.729 1.00 0.00 C ATOM 1047 O GLU A 69 -2.774 -10.294 -11.875 1.00 0.00 O ATOM 1048 CB GLU A 69 -3.274 -9.816 -15.116 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.404 -8.970 -16.025 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.180 -9.610 -17.381 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.228 -10.410 -17.509 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.954 -9.315 -18.314 1.00 0.00 O ATOM 0 H GLU A 69 -3.237 -7.284 -14.668 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.603 -9.563 -13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.754 -10.750 -14.902 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.190 -10.075 -15.648 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.869 -7.994 -16.161 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.441 -8.800 -15.544 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.511 -8.657 -12.768 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.444 -8.798 -11.783 1.00 0.00 C ATOM 1061 C LEU A 70 -0.959 -8.402 -10.404 1.00 0.00 C ATOM 1062 O LEU A 70 -0.383 -8.771 -9.385 1.00 0.00 O ATOM 1063 CB LEU A 70 0.743 -7.906 -12.142 1.00 0.00 C ATOM 1064 CG LEU A 70 1.805 -8.550 -13.033 1.00 0.00 C ATOM 1065 CD1 LEU A 70 1.948 -7.762 -14.324 1.00 0.00 C ATOM 1066 CD2 LEU A 70 3.140 -8.628 -12.300 1.00 0.00 C ATOM 0 H LEU A 70 -1.349 -7.933 -13.468 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.121 -9.839 -11.777 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.366 -7.014 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.220 -7.576 -11.219 1.00 0.00 H new ATOM 0 HG LEU A 70 1.491 -9.565 -13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.707 -8.228 -14.953 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.995 -7.753 -14.852 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.245 -6.739 -14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.885 -9.089 -12.949 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.466 -7.624 -12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.025 -9.227 -11.397 1.00 0.00 H new ATOM 1078 N SER A 71 -2.049 -7.633 -10.392 1.00 0.00 N ATOM 1079 CA SER A 71 -2.656 -7.145 -9.153 1.00 0.00 C ATOM 1080 C SER A 71 -2.745 -8.222 -8.078 1.00 0.00 C ATOM 1081 O SER A 71 -2.845 -7.910 -6.895 1.00 0.00 O ATOM 1082 CB SER A 71 -4.053 -6.608 -9.430 1.00 0.00 C ATOM 1083 OG SER A 71 -4.153 -5.237 -9.089 1.00 0.00 O ATOM 0 H SER A 71 -2.534 -7.332 -11.237 1.00 0.00 H new ATOM 0 HA SER A 71 -2.008 -6.352 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.294 -6.741 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.785 -7.181 -8.861 1.00 0.00 H new ATOM 0 HG SER A 71 -4.247 -5.148 -8.118 1.00 0.00 H new ATOM 1089 N HIS A 72 -2.683 -9.486 -8.475 1.00 0.00 N ATOM 1090 CA HIS A 72 -2.731 -10.576 -7.513 1.00 0.00 C ATOM 1091 C HIS A 72 -1.585 -10.425 -6.513 1.00 0.00 C ATOM 1092 O HIS A 72 -1.569 -11.065 -5.460 1.00 0.00 O ATOM 1093 CB HIS A 72 -2.658 -11.928 -8.240 1.00 0.00 C ATOM 1094 CG HIS A 72 -2.082 -13.037 -7.414 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -0.811 -13.271 -7.014 1.00 0.00 N flip ATOM 1096 CD2 HIS A 72 -2.838 -14.070 -6.903 1.00 0.00 C flip ATOM 1097 CE1 HIS A 72 -0.821 -14.428 -6.275 1.00 0.00 C flip ATOM 1098 NE2 HIS A 72 -2.058 -14.890 -6.221 1.00 0.00 N flip ATOM 0 H HIS A 72 -2.600 -9.779 -9.448 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.674 -10.540 -6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.661 -12.211 -8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.057 -11.811 -9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.903 -14.190 -7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.041 -14.886 -5.813 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.359 -15.735 -5.736 1.00 0.00 H new ATOM 1107 N ASN A 73 -0.632 -9.564 -6.860 1.00 0.00 N ATOM 1108 CA ASN A 73 0.524 -9.307 -6.014 1.00 0.00 C ATOM 1109 C ASN A 73 0.110 -8.632 -4.702 1.00 0.00 C ATOM 1110 O ASN A 73 0.452 -9.101 -3.616 1.00 0.00 O ATOM 1111 CB ASN A 73 1.538 -8.435 -6.768 1.00 0.00 C ATOM 1112 CG ASN A 73 0.887 -7.323 -7.575 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -0.029 -6.650 -7.102 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.351 -7.128 -8.807 1.00 0.00 N ATOM 0 H ASN A 73 -0.641 -9.030 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 73 0.988 -10.262 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.234 -7.997 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.124 -9.066 -7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.946 -6.400 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.112 -7.707 -9.163 1.00 0.00 H new ATOM 1121 N PHE A 74 -0.623 -7.529 -4.815 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.088 -6.775 -3.672 1.00 0.00 C ATOM 1123 C PHE A 74 -2.589 -6.517 -3.809 1.00 0.00 C ATOM 1124 O PHE A 74 -3.184 -6.907 -4.811 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.300 -5.481 -3.597 1.00 0.00 C ATOM 1126 CG PHE A 74 1.181 -5.711 -3.492 1.00 0.00 C ATOM 1127 CD1 PHE A 74 1.927 -5.998 -4.621 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.826 -5.663 -2.265 1.00 0.00 C ATOM 1129 CE1 PHE A 74 3.284 -6.231 -4.536 1.00 0.00 C ATOM 1130 CE2 PHE A 74 3.186 -5.899 -2.171 1.00 0.00 C ATOM 1131 CZ PHE A 74 3.916 -6.183 -3.309 1.00 0.00 C ATOM 0 H PHE A 74 -0.909 -7.136 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.932 -7.332 -2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.509 -4.881 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.636 -4.905 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.440 -6.040 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.260 -5.439 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.852 -6.451 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.676 -5.861 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.978 -6.367 -3.239 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.225 -5.900 -2.810 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.672 -5.679 -2.906 1.00 0.00 C ATOM 1143 C VAL A 75 -5.138 -4.247 -2.616 1.00 0.00 C ATOM 1144 O VAL A 75 -4.567 -3.512 -1.812 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.452 -6.652 -1.993 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.214 -6.331 -0.523 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -6.946 -6.624 -2.323 1.00 0.00 C ATOM 0 H VAL A 75 -2.784 -5.556 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.893 -5.870 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.082 -7.660 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.774 -7.030 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.151 -6.418 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.546 -5.314 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.476 -7.316 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.333 -5.616 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.095 -6.920 -3.361 1.00 0.00 H new ATOM 1157 N MET A 76 -6.214 -3.911 -3.315 1.00 0.00 N ATOM 1158 CA MET A 76 -6.911 -2.630 -3.266 1.00 0.00 C ATOM 1159 C MET A 76 -7.000 -1.978 -1.883 1.00 0.00 C ATOM 1160 O MET A 76 -7.885 -2.314 -1.090 1.00 0.00 O ATOM 1161 CB MET A 76 -8.338 -2.884 -3.771 1.00 0.00 C ATOM 1162 CG MET A 76 -8.716 -4.371 -3.886 1.00 0.00 C ATOM 1163 SD MET A 76 -8.207 -5.127 -5.453 1.00 0.00 S ATOM 1164 CE MET A 76 -9.719 -5.051 -6.407 1.00 0.00 C ATOM 0 H MET A 76 -6.650 -4.561 -3.969 1.00 0.00 H new ATOM 0 HA MET A 76 -6.336 -1.933 -3.876 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.041 -2.394 -3.098 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.453 -2.416 -4.748 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.259 -4.919 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.796 -4.473 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.575 -5.562 -7.359 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.523 -5.536 -5.854 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.982 -4.009 -6.590 1.00 0.00 H new ATOM 1174 N VAL A 77 -6.124 -0.992 -1.631 1.00 0.00 N ATOM 1175 CA VAL A 77 -6.148 -0.248 -0.372 1.00 0.00 C ATOM 1176 C VAL A 77 -5.558 1.159 -0.514 1.00 0.00 C ATOM 1177 O VAL A 77 -4.524 1.476 0.066 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.418 -1.004 0.761 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.249 -0.129 1.997 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.184 -2.258 1.114 1.00 0.00 C ATOM 0 H VAL A 77 -5.396 -0.697 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.201 -0.152 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.423 -1.272 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.732 -0.692 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.665 0.755 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.229 0.177 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.666 -2.788 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.187 -1.990 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.253 -2.901 0.237 1.00 0.00 H new ATOM 1190 N ASN A 78 -6.242 2.009 -1.265 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.804 3.383 -1.450 1.00 0.00 C ATOM 1192 C ASN A 78 -6.632 4.310 -0.565 1.00 0.00 C ATOM 1193 O ASN A 78 -7.831 4.487 -0.779 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.918 3.779 -2.922 1.00 0.00 C ATOM 1195 CG ASN A 78 -6.445 5.185 -3.136 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -7.571 5.380 -3.597 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -5.627 6.169 -2.798 1.00 0.00 N ATOM 0 H ASN A 78 -7.103 1.771 -1.756 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.757 3.472 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.937 3.693 -3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.575 3.073 -3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.920 7.139 -2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.704 5.957 -2.420 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.985 4.880 0.439 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.658 5.773 1.380 1.00 0.00 C ATOM 1206 C LEU A 79 -6.424 7.249 1.031 1.00 0.00 C ATOM 1207 O LEU A 79 -5.330 7.646 0.626 1.00 0.00 O ATOM 1208 CB LEU A 79 -6.195 5.455 2.812 1.00 0.00 C ATOM 1209 CG LEU A 79 -6.102 6.641 3.777 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -7.489 7.109 4.185 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -5.287 6.265 5.004 1.00 0.00 C ATOM 0 H LEU A 79 -4.992 4.742 0.627 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.732 5.604 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.880 4.721 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.215 4.982 2.757 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.599 7.461 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.402 7.952 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.044 7.418 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.018 6.293 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.231 7.119 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.764 5.429 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.281 5.977 4.698 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.469 8.057 1.198 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.391 9.486 0.907 1.00 0.00 C ATOM 1225 C GLU A 80 -7.821 10.309 2.119 1.00 0.00 C ATOM 1226 O GLU A 80 -8.182 9.759 3.159 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.269 9.832 -0.298 1.00 0.00 C ATOM 1228 CG GLU A 80 -7.581 10.732 -1.311 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.071 12.166 -1.248 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.303 12.373 -1.236 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -7.222 13.082 -1.210 1.00 0.00 O ATOM 0 H GLU A 80 -8.380 7.746 1.534 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.355 9.729 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.574 8.909 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.177 10.321 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.505 10.712 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.749 10.339 -2.314 1.00 0.00 H new ATOM 1238 N ASP A 81 -7.777 11.629 1.977 1.00 0.00 N ATOM 1239 CA ASP A 81 -8.161 12.533 3.059 1.00 0.00 C ATOM 1240 C ASP A 81 -9.582 12.251 3.544 1.00 0.00 C ATOM 1241 O ASP A 81 -9.942 12.603 4.667 1.00 0.00 O ATOM 1242 CB ASP A 81 -8.047 13.987 2.595 1.00 0.00 C ATOM 1243 CG ASP A 81 -8.999 14.311 1.460 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -10.224 14.161 1.651 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -8.519 14.715 0.380 1.00 0.00 O ATOM 0 H ASP A 81 -7.479 12.099 1.122 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.480 12.364 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.250 14.650 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.024 14.183 2.274 1.00 0.00 H new ATOM 1250 N GLU A 82 -10.385 11.618 2.693 1.00 0.00 N ATOM 1251 CA GLU A 82 -11.767 11.293 3.039 1.00 0.00 C ATOM 1252 C GLU A 82 -11.859 10.650 4.422 1.00 0.00 C ATOM 1253 O GLU A 82 -12.871 10.775 5.108 1.00 0.00 O ATOM 1254 CB GLU A 82 -12.370 10.358 1.989 1.00 0.00 C ATOM 1255 CG GLU A 82 -13.883 10.242 2.076 1.00 0.00 C ATOM 1256 CD GLU A 82 -14.590 10.940 0.929 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -14.328 12.142 0.715 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -15.403 10.283 0.245 1.00 0.00 O ATOM 0 H GLU A 82 -10.103 11.320 1.759 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.332 12.225 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.098 10.716 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.931 9.367 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.163 9.189 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.222 10.668 3.020 1.00 0.00 H new ATOM 1265 N GLU A 83 -10.793 9.964 4.824 1.00 0.00 N ATOM 1266 CA GLU A 83 -10.759 9.304 6.125 1.00 0.00 C ATOM 1267 C GLU A 83 -10.098 10.198 7.171 1.00 0.00 C ATOM 1268 O GLU A 83 -10.667 10.453 8.233 1.00 0.00 O ATOM 1269 CB GLU A 83 -10.012 7.973 6.029 1.00 0.00 C ATOM 1270 CG GLU A 83 -10.164 7.100 7.264 1.00 0.00 C ATOM 1271 CD GLU A 83 -10.583 5.683 6.930 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -9.696 4.857 6.630 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -11.800 5.398 6.967 1.00 0.00 O ATOM 0 H GLU A 83 -9.944 9.851 4.270 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.787 9.112 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.374 7.424 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.953 8.171 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.219 7.077 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.903 7.546 7.930 1.00 0.00 H new ATOM 1280 N GLU A 84 -8.896 10.673 6.862 1.00 0.00 N ATOM 1281 CA GLU A 84 -8.159 11.540 7.774 1.00 0.00 C ATOM 1282 C GLU A 84 -7.916 10.851 9.116 1.00 0.00 C ATOM 1283 O GLU A 84 -8.284 11.372 10.168 1.00 0.00 O ATOM 1284 CB GLU A 84 -8.921 12.850 7.989 1.00 0.00 C ATOM 1285 CG GLU A 84 -8.100 13.923 8.688 1.00 0.00 C ATOM 1286 CD GLU A 84 -8.832 14.544 9.862 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -9.825 15.264 9.630 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -8.409 14.312 11.014 1.00 0.00 O ATOM 0 H GLU A 84 -8.412 10.472 5.987 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.191 11.757 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.254 13.230 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.816 12.648 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.163 13.489 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.842 14.703 7.971 1.00 0.00 H new ATOM 1295 N PRO A 85 -7.287 9.662 9.096 1.00 0.00 N ATOM 1296 CA PRO A 85 -6.998 8.904 10.313 1.00 0.00 C ATOM 1297 C PRO A 85 -5.749 9.410 11.031 1.00 0.00 C ATOM 1298 O PRO A 85 -4.678 9.515 10.433 1.00 0.00 O ATOM 1299 CB PRO A 85 -6.772 7.491 9.784 1.00 0.00 C ATOM 1300 CG PRO A 85 -6.202 7.690 8.421 1.00 0.00 C ATOM 1301 CD PRO A 85 -6.811 8.963 7.887 1.00 0.00 C ATOM 0 HA PRO A 85 -7.797 8.984 11.050 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.088 6.933 10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.704 6.927 9.746 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.115 7.766 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.438 6.845 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.078 9.559 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.629 8.756 7.197 1.00 0.00 H new ATOM 1309 N LYS A 86 -5.894 9.720 12.315 1.00 0.00 N ATOM 1310 CA LYS A 86 -4.777 10.213 13.112 1.00 0.00 C ATOM 1311 C LYS A 86 -3.778 9.095 13.392 1.00 0.00 C ATOM 1312 O LYS A 86 -3.740 8.541 14.491 1.00 0.00 O ATOM 1313 CB LYS A 86 -5.282 10.802 14.431 1.00 0.00 C ATOM 1314 CG LYS A 86 -4.276 11.713 15.114 1.00 0.00 C ATOM 1315 CD LYS A 86 -4.389 13.145 14.612 1.00 0.00 C ATOM 1316 CE LYS A 86 -5.132 14.025 15.604 1.00 0.00 C ATOM 1317 NZ LYS A 86 -5.413 15.377 15.047 1.00 0.00 N ATOM 0 H LYS A 86 -6.773 9.639 12.825 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.274 10.995 12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.198 11.362 14.242 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.540 9.988 15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.437 11.691 16.192 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.267 11.342 14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.392 13.551 14.439 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.908 13.156 13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.070 13.545 15.883 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.541 14.123 16.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.921 15.945 15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.517 15.846 14.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.998 15.286 14.192 1.00 0.00 H new ATOM 1331 N ASP A 87 -2.971 8.764 12.388 1.00 0.00 N ATOM 1332 CA ASP A 87 -1.975 7.707 12.525 1.00 0.00 C ATOM 1333 C ASP A 87 -0.630 8.149 11.955 1.00 0.00 C ATOM 1334 O ASP A 87 -0.388 9.339 11.759 1.00 0.00 O ATOM 1335 CB ASP A 87 -2.457 6.437 11.820 1.00 0.00 C ATOM 1336 CG ASP A 87 -2.140 5.183 12.611 1.00 0.00 C ATOM 1337 OD1 ASP A 87 -2.531 5.114 13.795 1.00 0.00 O ATOM 1338 OD2 ASP A 87 -1.500 4.272 12.046 1.00 0.00 O ATOM 0 H ASP A 87 -2.987 9.212 11.472 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.842 7.496 13.586 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.533 6.500 11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.991 6.371 10.837 1.00 0.00 H new ATOM 1343 N GLU A 88 0.244 7.180 11.696 1.00 0.00 N ATOM 1344 CA GLU A 88 1.566 7.466 11.151 1.00 0.00 C ATOM 1345 C GLU A 88 1.882 6.572 9.950 1.00 0.00 C ATOM 1346 O GLU A 88 2.822 6.839 9.200 1.00 0.00 O ATOM 1347 CB GLU A 88 2.634 7.284 12.230 1.00 0.00 C ATOM 1348 CG GLU A 88 3.322 8.580 12.616 1.00 0.00 C ATOM 1349 CD GLU A 88 2.437 9.487 13.448 1.00 0.00 C ATOM 1350 OE1 GLU A 88 1.494 8.973 14.086 1.00 0.00 O ATOM 1351 OE2 GLU A 88 2.687 10.711 13.461 1.00 0.00 O ATOM 0 H GLU A 88 0.059 6.190 11.855 1.00 0.00 H new ATOM 0 HA GLU A 88 1.568 8.502 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.175 6.846 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.382 6.575 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.230 8.352 13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.628 9.107 11.712 1.00 0.00 H new ATOM 1358 N ASP A 89 1.100 5.508 9.775 1.00 0.00 N ATOM 1359 CA ASP A 89 1.307 4.577 8.669 1.00 0.00 C ATOM 1360 C ASP A 89 1.415 5.306 7.331 1.00 0.00 C ATOM 1361 O ASP A 89 2.039 4.803 6.398 1.00 0.00 O ATOM 1362 CB ASP A 89 0.167 3.554 8.616 1.00 0.00 C ATOM 1363 CG ASP A 89 0.556 2.226 9.238 1.00 0.00 C ATOM 1364 OD1 ASP A 89 1.052 2.230 10.384 1.00 0.00 O ATOM 1365 OD2 ASP A 89 0.366 1.180 8.578 1.00 0.00 O ATOM 0 H ASP A 89 0.318 5.270 10.385 1.00 0.00 H new ATOM 0 HA ASP A 89 2.250 4.060 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.703 3.955 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.127 3.395 7.579 1.00 0.00 H new ATOM 1370 N PHE A 90 0.810 6.486 7.235 1.00 0.00 N ATOM 1371 CA PHE A 90 0.854 7.253 5.995 1.00 0.00 C ATOM 1372 C PHE A 90 2.262 7.776 5.716 1.00 0.00 C ATOM 1373 O PHE A 90 2.621 8.023 4.566 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.145 8.414 6.031 1.00 0.00 C ATOM 1375 CG PHE A 90 -0.027 9.286 7.247 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.116 10.036 7.473 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -1.065 9.361 8.160 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.222 10.843 8.588 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -0.966 10.167 9.276 1.00 0.00 C ATOM 1380 CZ PHE A 90 0.178 10.909 9.492 1.00 0.00 C ATOM 0 H PHE A 90 0.289 6.928 7.992 1.00 0.00 H new ATOM 0 HA PHE A 90 0.573 6.580 5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.004 9.028 5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.156 8.011 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.933 9.989 6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.962 8.782 7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.119 11.422 8.754 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.783 10.217 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.257 11.540 10.365 1.00 0.00 H new ATOM 1390 N SER A 91 3.060 7.935 6.770 1.00 0.00 N ATOM 1391 CA SER A 91 4.430 8.420 6.620 1.00 0.00 C ATOM 1392 C SER A 91 5.270 8.108 7.858 1.00 0.00 C ATOM 1393 O SER A 91 5.775 9.015 8.521 1.00 0.00 O ATOM 1394 CB SER A 91 4.444 9.927 6.347 1.00 0.00 C ATOM 1395 OG SER A 91 5.754 10.373 6.052 1.00 0.00 O ATOM 0 H SER A 91 2.784 7.736 7.732 1.00 0.00 H new ATOM 0 HA SER A 91 4.869 7.901 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.781 10.156 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.060 10.462 7.216 1.00 0.00 H new ATOM 0 HG SER A 91 6.330 10.236 6.833 1.00 0.00 H new ATOM 1401 N PRO A 92 5.438 6.815 8.187 1.00 0.00 N ATOM 1402 CA PRO A 92 6.230 6.392 9.348 1.00 0.00 C ATOM 1403 C PRO A 92 7.666 6.897 9.282 1.00 0.00 C ATOM 1404 O PRO A 92 8.223 7.354 10.280 1.00 0.00 O ATOM 1405 CB PRO A 92 6.203 4.861 9.271 1.00 0.00 C ATOM 1406 CG PRO A 92 5.010 4.540 8.439 1.00 0.00 C ATOM 1407 CD PRO A 92 4.879 5.666 7.454 1.00 0.00 C ATOM 0 HA PRO A 92 5.825 6.790 10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.116 4.472 8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.124 4.417 10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.136 3.586 7.927 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.115 4.455 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.432 5.465 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.840 5.835 7.170 1.00 0.00 H new ATOM 1415 N ASP A 93 8.263 6.809 8.096 1.00 0.00 N ATOM 1416 CA ASP A 93 9.637 7.255 7.896 1.00 0.00 C ATOM 1417 C ASP A 93 9.775 8.024 6.584 1.00 0.00 C ATOM 1418 O ASP A 93 10.839 8.024 5.964 1.00 0.00 O ATOM 1419 CB ASP A 93 10.586 6.054 7.899 1.00 0.00 C ATOM 1420 CG ASP A 93 11.509 6.050 9.103 1.00 0.00 C ATOM 1421 OD1 ASP A 93 12.511 6.796 9.085 1.00 0.00 O ATOM 1422 OD2 ASP A 93 11.230 5.298 10.061 1.00 0.00 O ATOM 0 H ASP A 93 7.816 6.433 7.260 1.00 0.00 H new ATOM 0 HA ASP A 93 9.901 7.923 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.003 5.133 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.183 6.064 6.987 1.00 0.00 H new ATOM 1427 N GLY A 94 8.695 8.675 6.166 1.00 0.00 N ATOM 1428 CA GLY A 94 8.721 9.432 4.931 1.00 0.00 C ATOM 1429 C GLY A 94 8.957 10.911 5.162 1.00 0.00 C ATOM 1430 O GLY A 94 10.099 11.371 5.170 1.00 0.00 O ATOM 0 H GLY A 94 7.803 8.691 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.505 9.039 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.776 9.296 4.405 1.00 0.00 H new ATOM 1434 N GLY A 95 7.874 11.658 5.344 1.00 0.00 N ATOM 1435 CA GLY A 95 7.987 13.084 5.566 1.00 0.00 C ATOM 1436 C GLY A 95 6.704 13.827 5.249 1.00 0.00 C ATOM 1437 O GLY A 95 6.031 14.323 6.153 1.00 0.00 O ATOM 0 H GLY A 95 6.919 11.299 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.260 13.266 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.794 13.481 4.950 1.00 0.00 H new ATOM 1441 N TYR A 96 6.365 13.914 3.965 1.00 0.00 N ATOM 1442 CA TYR A 96 5.152 14.613 3.551 1.00 0.00 C ATOM 1443 C TYR A 96 3.904 13.793 3.872 1.00 0.00 C ATOM 1444 O TYR A 96 3.994 12.620 4.232 1.00 0.00 O ATOM 1445 CB TYR A 96 5.209 14.979 2.061 1.00 0.00 C ATOM 1446 CG TYR A 96 5.201 13.797 1.112 1.00 0.00 C ATOM 1447 CD1 TYR A 96 4.022 13.115 0.835 1.00 0.00 C ATOM 1448 CD2 TYR A 96 6.367 13.377 0.476 1.00 0.00 C ATOM 1449 CE1 TYR A 96 4.005 12.049 -0.045 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.355 12.314 -0.402 1.00 0.00 C ATOM 1451 CZ TYR A 96 5.173 11.654 -0.661 1.00 0.00 C ATOM 1452 OH TYR A 96 5.158 10.593 -1.537 1.00 0.00 O ATOM 0 H TYR A 96 6.908 13.513 3.200 1.00 0.00 H new ATOM 0 HA TYR A 96 5.091 15.541 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.359 15.620 1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.110 15.565 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.105 13.423 1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.295 13.892 0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.081 11.528 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.268 12.000 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 96 4.282 10.541 -1.973 1.00 0.00 H new ATOM 1462 N ILE A 97 2.744 14.434 3.766 1.00 0.00 N ATOM 1463 CA ILE A 97 1.466 13.787 4.076 1.00 0.00 C ATOM 1464 C ILE A 97 0.574 13.661 2.788 1.00 0.00 C ATOM 1465 O ILE A 97 -0.092 14.668 2.591 1.00 0.00 O ATOM 1466 CB ILE A 97 0.754 14.567 5.228 1.00 0.00 C ATOM 1467 CG1 ILE A 97 0.068 15.850 4.740 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.759 14.906 6.321 1.00 0.00 C ATOM 1469 CD1 ILE A 97 0.954 16.755 3.906 1.00 0.00 C ATOM 0 H ILE A 97 2.659 15.405 3.467 1.00 0.00 H new ATOM 0 HA ILE A 97 1.645 12.769 4.424 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.025 13.915 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.809 15.578 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.289 16.408 5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.257 15.450 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.187 13.986 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.554 15.525 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.390 17.637 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.819 17.061 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.291 16.218 3.019 1.00 0.00 H new ATOM 1481 N PRO A 98 -0.113 12.478 2.680 1.00 0.00 N ATOM 1482 CA PRO A 98 0.226 11.020 2.802 1.00 0.00 C ATOM 1483 C PRO A 98 0.855 10.491 1.525 1.00 0.00 C ATOM 1484 O PRO A 98 0.802 11.153 0.483 1.00 0.00 O ATOM 1485 CB PRO A 98 -1.109 10.351 3.042 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.567 11.205 4.099 1.00 0.00 C ATOM 1487 CD PRO A 98 -0.438 12.194 4.149 1.00 0.00 C ATOM 0 HA PRO A 98 0.948 10.833 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.759 10.370 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.015 9.309 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.523 11.676 3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.694 10.670 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.730 13.104 4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.425 11.785 4.675 1.00 0.00 H new ATOM 1495 N ARG A 99 1.462 9.307 1.625 1.00 0.00 N ATOM 1496 CA ARG A 99 2.145 8.680 0.495 1.00 0.00 C ATOM 1497 C ARG A 99 1.761 7.209 0.339 1.00 0.00 C ATOM 1498 O ARG A 99 0.833 6.725 0.987 1.00 0.00 O ATOM 1499 CB ARG A 99 3.666 8.794 0.679 1.00 0.00 C ATOM 1500 CG ARG A 99 4.109 8.928 2.135 1.00 0.00 C ATOM 1501 CD ARG A 99 5.081 10.078 2.323 1.00 0.00 C ATOM 1502 NE ARG A 99 6.250 9.953 1.461 1.00 0.00 N ATOM 1503 CZ ARG A 99 7.406 10.563 1.698 1.00 0.00 C ATOM 1504 NH1 ARG A 99 7.537 11.363 2.744 1.00 0.00 N ATOM 1505 NH2 ARG A 99 8.429 10.386 0.879 1.00 0.00 N ATOM 0 H ARG A 99 1.493 8.760 2.485 1.00 0.00 H new ATOM 0 HA ARG A 99 1.835 9.205 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.141 7.914 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.025 9.658 0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.235 9.083 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.577 7.999 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.574 11.019 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.401 10.115 3.364 1.00 0.00 H new ATOM 0 HE ARG A 99 6.176 9.365 0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.748 11.514 3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.427 11.829 2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.331 9.780 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.316 10.855 1.062 1.00 0.00 H new ATOM 1519 N ILE A 100 2.491 6.506 -0.530 1.00 0.00 N ATOM 1520 CA ILE A 100 2.242 5.089 -0.784 1.00 0.00 C ATOM 1521 C ILE A 100 3.134 4.204 0.087 1.00 0.00 C ATOM 1522 O ILE A 100 4.244 4.592 0.450 1.00 0.00 O ATOM 1523 CB ILE A 100 2.483 4.739 -2.266 1.00 0.00 C ATOM 1524 CG1 ILE A 100 1.744 5.725 -3.172 1.00 0.00 C ATOM 1525 CG2 ILE A 100 2.037 3.313 -2.555 1.00 0.00 C ATOM 1526 CD1 ILE A 100 1.997 5.495 -4.646 1.00 0.00 C ATOM 0 H ILE A 100 3.262 6.899 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 100 1.198 4.901 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 100 3.551 4.814 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.674 5.652 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.046 6.740 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.214 3.082 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.603 2.621 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.974 3.213 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.442 6.230 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.062 5.597 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.669 4.492 -4.919 1.00 0.00 H new ATOM 1538 N LEU A 101 2.637 3.014 0.420 1.00 0.00 N ATOM 1539 CA LEU A 101 3.383 2.071 1.252 1.00 0.00 C ATOM 1540 C LEU A 101 2.799 0.664 1.145 1.00 0.00 C ATOM 1541 O LEU A 101 1.716 0.472 0.593 1.00 0.00 O ATOM 1542 CB LEU A 101 3.374 2.520 2.716 1.00 0.00 C ATOM 1543 CG LEU A 101 2.231 3.461 3.110 1.00 0.00 C ATOM 1544 CD1 LEU A 101 1.593 3.007 4.406 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.730 4.891 3.243 1.00 0.00 C ATOM 0 H LEU A 101 1.719 2.679 0.126 1.00 0.00 H new ATOM 0 HA LEU A 101 4.411 2.052 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.327 1.634 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.320 3.016 2.932 1.00 0.00 H new ATOM 0 HG LEU A 101 1.480 3.431 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.783 3.687 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.195 2.000 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.341 3.007 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.901 5.541 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.503 4.937 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.144 5.222 2.291 1.00 0.00 H new ATOM 1557 N PHE A 102 3.524 -0.318 1.678 1.00 0.00 N ATOM 1558 CA PHE A 102 3.074 -1.705 1.641 1.00 0.00 C ATOM 1559 C PHE A 102 3.004 -2.295 3.049 1.00 0.00 C ATOM 1560 O PHE A 102 3.854 -2.013 3.901 1.00 0.00 O ATOM 1561 CB PHE A 102 4.013 -2.538 0.769 1.00 0.00 C ATOM 1562 CG PHE A 102 4.239 -1.954 -0.597 1.00 0.00 C ATOM 1563 CD1 PHE A 102 4.917 -0.755 -0.751 1.00 0.00 C ATOM 1564 CD2 PHE A 102 3.775 -2.605 -1.728 1.00 0.00 C ATOM 1565 CE1 PHE A 102 5.127 -0.218 -2.006 1.00 0.00 C ATOM 1566 CE2 PHE A 102 3.982 -2.074 -2.986 1.00 0.00 C ATOM 1567 CZ PHE A 102 4.658 -0.878 -3.125 1.00 0.00 C ATOM 0 H PHE A 102 4.423 -0.178 2.139 1.00 0.00 H new ATOM 0 HA PHE A 102 2.072 -1.728 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.973 -2.638 1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.602 -3.542 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.285 -0.235 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.244 -3.540 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.657 0.717 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.616 -2.593 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.820 -0.459 -4.107 1.00 0.00 H new ATOM 1577 N LEU A 103 1.980 -3.113 3.299 1.00 0.00 N ATOM 1578 CA LEU A 103 1.810 -3.728 4.614 1.00 0.00 C ATOM 1579 C LEU A 103 1.571 -5.226 4.509 1.00 0.00 C ATOM 1580 O LEU A 103 1.316 -5.758 3.427 1.00 0.00 O ATOM 1581 CB LEU A 103 0.640 -3.093 5.381 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.216 -2.092 4.608 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.472 -2.768 4.074 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.576 -0.906 5.496 1.00 0.00 C ATOM 0 H LEU A 103 1.264 -3.362 2.616 1.00 0.00 H new ATOM 0 HA LEU A 103 2.739 -3.553 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.009 -3.893 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.041 -2.591 6.261 1.00 0.00 H new ATOM 0 HG LEU A 103 0.359 -1.722 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.071 -2.041 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.191 -3.583 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.054 -3.164 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.186 -0.201 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.136 -1.257 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.336 -0.411 5.829 1.00 0.00 H new ATOM 1596 N ASP A 104 1.628 -5.893 5.656 1.00 0.00 N ATOM 1597 CA ASP A 104 1.392 -7.323 5.721 1.00 0.00 C ATOM 1598 C ASP A 104 -0.106 -7.590 5.676 1.00 0.00 C ATOM 1599 O ASP A 104 -0.895 -6.773 6.160 1.00 0.00 O ATOM 1600 CB ASP A 104 1.992 -7.910 7.001 1.00 0.00 C ATOM 1601 CG ASP A 104 3.488 -7.676 7.099 1.00 0.00 C ATOM 1602 OD1 ASP A 104 4.033 -6.947 6.243 1.00 0.00 O ATOM 1603 OD2 ASP A 104 4.114 -8.219 8.034 1.00 0.00 O ATOM 0 H ASP A 104 1.837 -5.460 6.556 1.00 0.00 H new ATOM 0 HA ASP A 104 1.873 -7.801 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.500 -7.466 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.792 -8.981 7.035 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.518 -8.733 5.088 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.929 -9.108 4.966 1.00 0.00 C ATOM 1610 C PRO A 105 -2.698 -8.911 6.268 1.00 0.00 C ATOM 1611 O PRO A 105 -2.837 -9.837 7.068 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.889 -10.597 4.578 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.449 -11.003 4.638 1.00 0.00 C ATOM 1614 CD PRO A 105 0.358 -9.746 4.492 1.00 0.00 C ATOM 0 HA PRO A 105 -2.446 -8.487 4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.491 -11.194 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.296 -10.750 3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.226 -11.499 5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.212 -11.710 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.313 -9.814 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.580 -9.526 3.448 1.00 0.00 H new ATOM 1622 N SER A 106 -3.192 -7.694 6.465 1.00 0.00 N ATOM 1623 CA SER A 106 -3.951 -7.334 7.662 1.00 0.00 C ATOM 1624 C SER A 106 -4.000 -5.818 7.812 1.00 0.00 C ATOM 1625 O SER A 106 -4.971 -5.264 8.329 1.00 0.00 O ATOM 1626 CB SER A 106 -3.325 -7.959 8.916 1.00 0.00 C ATOM 1627 OG SER A 106 -4.067 -9.088 9.344 1.00 0.00 O ATOM 0 H SER A 106 -3.079 -6.928 5.801 1.00 0.00 H new ATOM 0 HA SER A 106 -4.964 -7.720 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.297 -8.253 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.288 -7.219 9.716 1.00 0.00 H new ATOM 0 HG SER A 106 -3.964 -9.813 8.693 1.00 0.00 H new ATOM 1633 N GLY A 107 -2.942 -5.156 7.352 1.00 0.00 N ATOM 1634 CA GLY A 107 -2.873 -3.711 7.437 1.00 0.00 C ATOM 1635 C GLY A 107 -1.773 -3.241 8.367 1.00 0.00 C ATOM 1636 O GLY A 107 -1.937 -2.249 9.079 1.00 0.00 O ATOM 0 H GLY A 107 -2.130 -5.598 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.705 -3.298 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.830 -3.324 7.786 1.00 0.00 H new ATOM 1640 N LYS A 108 -0.647 -3.952 8.367 1.00 0.00 N ATOM 1641 CA LYS A 108 0.476 -3.586 9.232 1.00 0.00 C ATOM 1642 C LYS A 108 1.673 -3.112 8.413 1.00 0.00 C ATOM 1643 O LYS A 108 2.591 -3.882 8.137 1.00 0.00 O ATOM 1644 CB LYS A 108 0.879 -4.774 10.110 1.00 0.00 C ATOM 1645 CG LYS A 108 0.214 -4.765 11.475 1.00 0.00 C ATOM 1646 CD LYS A 108 1.176 -4.315 12.562 1.00 0.00 C ATOM 1647 CE LYS A 108 0.458 -4.077 13.880 1.00 0.00 C ATOM 1648 NZ LYS A 108 1.395 -4.095 15.036 1.00 0.00 N ATOM 0 H LYS A 108 -0.487 -4.775 7.786 1.00 0.00 H new ATOM 0 HA LYS A 108 0.153 -2.763 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.624 -5.700 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.961 -4.770 10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.650 -4.101 11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.157 -5.764 11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.950 -5.070 12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.677 -3.399 12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.056 -3.116 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.306 -4.842 14.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.865 -3.929 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.867 -5.020 15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.109 -3.348 14.916 1.00 0.00 H new ATOM 1662 N VAL A 109 1.652 -1.840 8.017 1.00 0.00 N ATOM 1663 CA VAL A 109 2.733 -1.273 7.216 1.00 0.00 C ATOM 1664 C VAL A 109 4.065 -1.360 7.930 1.00 0.00 C ATOM 1665 O VAL A 109 4.191 -1.002 9.100 1.00 0.00 O ATOM 1666 CB VAL A 109 2.454 0.195 6.823 1.00 0.00 C ATOM 1667 CG1 VAL A 109 3.014 1.170 7.854 1.00 0.00 C ATOM 1668 CG2 VAL A 109 3.035 0.482 5.446 1.00 0.00 C ATOM 0 H VAL A 109 0.901 -1.186 8.237 1.00 0.00 H new ATOM 0 HA VAL A 109 2.782 -1.872 6.307 1.00 0.00 H new ATOM 0 HB VAL A 109 1.374 0.337 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.798 2.192 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.552 0.980 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.093 1.035 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.835 1.519 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 109 4.112 0.313 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.575 -0.180 4.712 1.00 0.00 H new ATOM 1678 N HIS A 110 5.061 -1.817 7.194 1.00 0.00 N ATOM 1679 CA HIS A 110 6.403 -1.932 7.725 1.00 0.00 C ATOM 1680 C HIS A 110 7.308 -0.949 7.000 1.00 0.00 C ATOM 1681 O HIS A 110 7.286 -0.878 5.772 1.00 0.00 O ATOM 1682 CB HIS A 110 6.928 -3.361 7.563 1.00 0.00 C ATOM 1683 CG HIS A 110 7.407 -3.970 8.844 1.00 0.00 C ATOM 1684 ND1 HIS A 110 6.560 -4.555 9.763 1.00 0.00 N ATOM 1685 CD2 HIS A 110 8.654 -4.085 9.359 1.00 0.00 C ATOM 1686 CE1 HIS A 110 7.266 -5.001 10.786 1.00 0.00 C ATOM 1687 NE2 HIS A 110 8.539 -4.729 10.566 1.00 0.00 N ATOM 0 H HIS A 110 4.963 -2.115 6.223 1.00 0.00 H new ATOM 0 HA HIS A 110 6.390 -1.699 8.790 1.00 0.00 H new ATOM 0 HB2 HIS A 110 6.137 -3.985 7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 110 7.746 -3.360 6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 110 9.569 -3.735 8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 110 6.869 -5.503 11.656 1.00 0.00 H new ATOM 0 HE2 HIS A 110 9.311 -4.960 11.191 1.00 0.00 H new ATOM 1696 N PRO A 111 8.112 -0.169 7.736 1.00 0.00 N ATOM 1697 CA PRO A 111 9.015 0.810 7.128 1.00 0.00 C ATOM 1698 C PRO A 111 10.129 0.142 6.326 1.00 0.00 C ATOM 1699 O PRO A 111 11.265 0.617 6.306 1.00 0.00 O ATOM 1700 CB PRO A 111 9.596 1.562 8.328 1.00 0.00 C ATOM 1701 CG PRO A 111 9.443 0.625 9.477 1.00 0.00 C ATOM 1702 CD PRO A 111 8.200 -0.171 9.205 1.00 0.00 C ATOM 0 HA PRO A 111 8.497 1.457 6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.643 1.819 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.062 2.496 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.312 -0.028 9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.358 1.171 10.416 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.276 -1.183 9.602 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.322 0.286 9.661 1.00 0.00 H new ATOM 1710 N GLU A 112 9.794 -0.959 5.657 1.00 0.00 N ATOM 1711 CA GLU A 112 10.758 -1.691 4.846 1.00 0.00 C ATOM 1712 C GLU A 112 10.294 -1.727 3.396 1.00 0.00 C ATOM 1713 O GLU A 112 10.973 -1.226 2.501 1.00 0.00 O ATOM 1714 CB GLU A 112 10.938 -3.115 5.378 1.00 0.00 C ATOM 1715 CG GLU A 112 11.893 -3.209 6.556 1.00 0.00 C ATOM 1716 CD GLU A 112 11.936 -4.598 7.164 1.00 0.00 C ATOM 1717 OE1 GLU A 112 10.853 -5.164 7.425 1.00 0.00 O ATOM 1718 OE2 GLU A 112 13.051 -5.118 7.378 1.00 0.00 O ATOM 0 H GLU A 112 8.858 -1.363 5.662 1.00 0.00 H new ATOM 0 HA GLU A 112 11.719 -1.180 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.966 -3.508 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.305 -3.751 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.895 -2.928 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.593 -2.491 7.320 1.00 0.00 H new ATOM 1725 N ILE A 113 9.116 -2.303 3.176 1.00 0.00 N ATOM 1726 CA ILE A 113 8.546 -2.378 1.840 1.00 0.00 C ATOM 1727 C ILE A 113 7.983 -1.019 1.442 1.00 0.00 C ATOM 1728 O ILE A 113 6.794 -0.749 1.612 1.00 0.00 O ATOM 1729 CB ILE A 113 7.430 -3.437 1.754 1.00 0.00 C ATOM 1730 CG1 ILE A 113 7.895 -4.754 2.379 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.010 -3.651 0.306 1.00 0.00 C ATOM 1732 CD1 ILE A 113 6.761 -5.708 2.688 1.00 0.00 C ATOM 0 H ILE A 113 8.540 -2.723 3.906 1.00 0.00 H new ATOM 0 HA ILE A 113 9.344 -2.669 1.156 1.00 0.00 H new ATOM 0 HB ILE A 113 6.566 -3.077 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.595 -5.242 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.439 -4.539 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.221 -4.402 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.641 -2.713 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.867 -3.992 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.163 -6.620 3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.072 -5.239 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.230 -5.953 1.768 1.00 0.00 H new ATOM 1744 N ILE A 114 8.861 -0.160 0.934 1.00 0.00 N ATOM 1745 CA ILE A 114 8.473 1.188 0.532 1.00 0.00 C ATOM 1746 C ILE A 114 8.698 1.421 -0.962 1.00 0.00 C ATOM 1747 O ILE A 114 7.767 1.334 -1.762 1.00 0.00 O ATOM 1748 CB ILE A 114 9.250 2.261 1.329 1.00 0.00 C ATOM 1749 CG1 ILE A 114 10.735 1.865 1.479 1.00 0.00 C ATOM 1750 CG2 ILE A 114 8.597 2.496 2.685 1.00 0.00 C ATOM 1751 CD1 ILE A 114 11.196 1.629 2.903 1.00 0.00 C ATOM 0 H ILE A 114 9.848 -0.374 0.791 1.00 0.00 H new ATOM 0 HA ILE A 114 7.409 1.278 0.749 1.00 0.00 H new ATOM 0 HB ILE A 114 9.214 3.198 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 114 10.914 0.958 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.351 2.650 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.157 3.254 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.571 2.836 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.594 1.566 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 114 12.251 1.356 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.056 2.539 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 114 10.612 0.822 3.345 1.00 0.00 H new ATOM 1763 N ASN A 115 9.938 1.732 -1.325 1.00 0.00 N ATOM 1764 CA ASN A 115 10.301 1.998 -2.703 1.00 0.00 C ATOM 1765 C ASN A 115 11.794 2.294 -2.783 1.00 0.00 C ATOM 1766 O ASN A 115 12.208 3.373 -3.206 1.00 0.00 O ATOM 1767 CB ASN A 115 9.488 3.182 -3.237 1.00 0.00 C ATOM 1768 CG ASN A 115 9.922 3.617 -4.623 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.503 2.838 -5.380 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.641 4.870 -4.961 1.00 0.00 N ATOM 0 H ASN A 115 10.716 1.805 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 115 10.080 1.124 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.433 2.911 -3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 115 9.586 4.023 -2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.908 5.222 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.158 5.480 -4.302 1.00 0.00 H new ATOM 1777 N GLU A 116 12.599 1.328 -2.350 1.00 0.00 N ATOM 1778 CA GLU A 116 14.049 1.477 -2.352 1.00 0.00 C ATOM 1779 C GLU A 116 14.556 1.952 -3.711 1.00 0.00 C ATOM 1780 O GLU A 116 15.610 2.579 -3.807 1.00 0.00 O ATOM 1781 CB GLU A 116 14.710 0.153 -1.970 1.00 0.00 C ATOM 1782 CG GLU A 116 14.561 -0.186 -0.495 1.00 0.00 C ATOM 1783 CD GLU A 116 15.465 0.649 0.389 1.00 0.00 C ATOM 1784 OE1 GLU A 116 15.300 1.887 0.408 1.00 0.00 O ATOM 1785 OE2 GLU A 116 16.340 0.066 1.064 1.00 0.00 O ATOM 0 H GLU A 116 12.269 0.431 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 116 14.314 2.235 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.275 -0.649 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.770 0.197 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.524 -0.035 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.786 -1.242 -0.344 1.00 0.00 H new ATOM 1792 N ASN A 117 13.792 1.657 -4.759 1.00 0.00 N ATOM 1793 CA ASN A 117 14.160 2.061 -6.110 1.00 0.00 C ATOM 1794 C ASN A 117 13.902 3.553 -6.328 1.00 0.00 C ATOM 1795 O ASN A 117 14.451 4.154 -7.250 1.00 0.00 O ATOM 1796 CB ASN A 117 13.379 1.240 -7.137 1.00 0.00 C ATOM 1797 CG ASN A 117 14.206 0.110 -7.721 1.00 0.00 C ATOM 1798 OD1 ASN A 117 14.716 0.211 -8.838 1.00 0.00 O ATOM 1799 ND2 ASN A 117 14.345 -0.974 -6.966 1.00 0.00 N ATOM 0 H ASN A 117 12.915 1.140 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 117 15.226 1.876 -6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.486 0.828 -6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.042 1.894 -7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.892 -1.765 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.905 -1.015 -6.047 1.00 0.00 H new ATOM 1806 N GLY A 118 13.063 4.144 -5.478 1.00 0.00 N ATOM 1807 CA GLY A 118 12.755 5.558 -5.607 1.00 0.00 C ATOM 1808 C GLY A 118 13.781 6.443 -4.925 1.00 0.00 C ATOM 1809 O GLY A 118 14.954 6.086 -4.834 1.00 0.00 O ATOM 0 H GLY A 118 12.594 3.670 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 118 12.700 5.819 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.771 5.752 -5.179 1.00 0.00 H new ATOM 1813 N ASN A 119 13.335 7.602 -4.445 1.00 0.00 N ATOM 1814 CA ASN A 119 14.226 8.543 -3.767 1.00 0.00 C ATOM 1815 C ASN A 119 14.919 7.868 -2.585 1.00 0.00 C ATOM 1816 O ASN A 119 14.320 7.037 -1.905 1.00 0.00 O ATOM 1817 CB ASN A 119 13.442 9.765 -3.285 1.00 0.00 C ATOM 1818 CG ASN A 119 13.449 10.890 -4.301 1.00 0.00 C ATOM 1819 OD1 ASN A 119 13.362 10.655 -5.505 1.00 0.00 O ATOM 1820 ND2 ASN A 119 13.552 12.122 -3.816 1.00 0.00 N ATOM 0 H ASN A 119 12.366 7.912 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 119 14.985 8.869 -4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 119 12.413 9.474 -3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.870 10.122 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.561 12.921 -4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.622 12.270 -2.809 1.00 0.00 H new ATOM 1827 N PRO A 120 16.195 8.208 -2.324 1.00 0.00 N ATOM 1828 CA PRO A 120 16.964 7.621 -1.227 1.00 0.00 C ATOM 1829 C PRO A 120 16.663 8.260 0.128 1.00 0.00 C ATOM 1830 O PRO A 120 17.569 8.469 0.934 1.00 0.00 O ATOM 1831 CB PRO A 120 18.429 7.884 -1.623 1.00 0.00 C ATOM 1832 CG PRO A 120 18.389 8.629 -2.924 1.00 0.00 C ATOM 1833 CD PRO A 120 16.998 9.176 -3.073 1.00 0.00 C ATOM 0 HA PRO A 120 16.721 6.566 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.940 8.468 -0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.977 6.948 -1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.123 9.435 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.635 7.968 -3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.911 10.181 -2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.694 9.233 -4.118 1.00 0.00 H new ATOM 1841 N SER A 121 15.394 8.566 0.383 1.00 0.00 N ATOM 1842 CA SER A 121 15.003 9.174 1.648 1.00 0.00 C ATOM 1843 C SER A 121 13.493 9.273 1.723 1.00 0.00 C ATOM 1844 O SER A 121 12.886 9.048 2.769 1.00 0.00 O ATOM 1845 CB SER A 121 15.619 10.566 1.786 1.00 0.00 C ATOM 1846 OG SER A 121 16.883 10.504 2.423 1.00 0.00 O ATOM 0 H SER A 121 14.624 8.404 -0.266 1.00 0.00 H new ATOM 0 HA SER A 121 15.367 8.549 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.727 11.019 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 121 14.950 11.208 2.360 1.00 0.00 H new ATOM 0 HG SER A 121 17.474 9.905 1.920 1.00 0.00 H new ATOM 1852 N TYR A 122 12.903 9.610 0.591 1.00 0.00 N ATOM 1853 CA TYR A 122 11.467 9.749 0.480 1.00 0.00 C ATOM 1854 C TYR A 122 10.785 8.379 0.522 1.00 0.00 C ATOM 1855 O TYR A 122 9.721 8.221 1.120 1.00 0.00 O ATOM 1856 CB TYR A 122 11.144 10.483 -0.820 1.00 0.00 C ATOM 1857 CG TYR A 122 10.566 11.869 -0.626 1.00 0.00 C ATOM 1858 CD1 TYR A 122 10.947 12.654 0.457 1.00 0.00 C ATOM 1859 CD2 TYR A 122 9.650 12.398 -1.526 1.00 0.00 C ATOM 1860 CE1 TYR A 122 10.432 13.923 0.636 1.00 0.00 C ATOM 1861 CE2 TYR A 122 9.131 13.666 -1.353 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.523 14.424 -0.272 1.00 0.00 C ATOM 1863 OH TYR A 122 9.008 15.688 -0.097 1.00 0.00 O ATOM 0 H TYR A 122 13.408 9.795 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 122 11.088 10.326 1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.054 10.562 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.438 9.885 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.658 12.264 1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.338 11.808 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.739 14.520 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.420 14.062 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 122 8.383 15.890 -0.824 1.00 0.00 H new ATOM 1873 N LYS A 123 11.417 7.389 -0.106 1.00 0.00 N ATOM 1874 CA LYS A 123 10.890 6.020 -0.131 1.00 0.00 C ATOM 1875 C LYS A 123 9.407 5.979 -0.527 1.00 0.00 C ATOM 1876 O LYS A 123 9.076 5.872 -1.707 1.00 0.00 O ATOM 1877 CB LYS A 123 11.091 5.360 1.240 1.00 0.00 C ATOM 1878 CG LYS A 123 12.546 5.075 1.578 1.00 0.00 C ATOM 1879 CD LYS A 123 13.195 4.159 0.552 1.00 0.00 C ATOM 1880 CE LYS A 123 14.372 4.836 -0.127 1.00 0.00 C ATOM 1881 NZ LYS A 123 14.435 4.527 -1.583 1.00 0.00 N ATOM 0 H LYS A 123 12.298 7.507 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 123 11.443 5.466 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 123 10.669 6.007 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.532 4.425 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.098 6.013 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 123 12.607 4.616 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.531 3.244 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.458 3.869 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.298 5.915 0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.298 4.517 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 15.297 3.981 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.600 3.970 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.452 5.414 -2.126 1.00 0.00 H new ATOM 1895 N TYR A 124 8.526 6.060 0.473 1.00 0.00 N ATOM 1896 CA TYR A 124 7.072 6.030 0.269 1.00 0.00 C ATOM 1897 C TYR A 124 6.641 6.752 -1.012 1.00 0.00 C ATOM 1898 O TYR A 124 5.625 6.405 -1.618 1.00 0.00 O ATOM 1899 CB TYR A 124 6.378 6.658 1.475 1.00 0.00 C ATOM 1900 CG TYR A 124 6.708 5.963 2.777 1.00 0.00 C ATOM 1901 CD1 TYR A 124 5.950 4.888 3.217 1.00 0.00 C ATOM 1902 CD2 TYR A 124 7.778 6.378 3.560 1.00 0.00 C ATOM 1903 CE1 TYR A 124 6.248 4.242 4.400 1.00 0.00 C ATOM 1904 CE2 TYR A 124 8.081 5.737 4.747 1.00 0.00 C ATOM 1905 CZ TYR A 124 7.314 4.670 5.162 1.00 0.00 C ATOM 1906 OH TYR A 124 7.616 4.029 6.342 1.00 0.00 O ATOM 0 H TYR A 124 8.800 6.149 1.451 1.00 0.00 H new ATOM 0 HA TYR A 124 6.778 4.986 0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 124 6.666 7.707 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.299 6.633 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.113 4.551 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.382 7.213 3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.649 3.405 4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.915 6.071 5.346 1.00 0.00 H new ATOM 0 HH TYR A 124 8.580 4.088 6.509 1.00 0.00 H new ATOM 1916 N PHE A 125 7.414 7.755 -1.413 1.00 0.00 N ATOM 1917 CA PHE A 125 7.116 8.524 -2.619 1.00 0.00 C ATOM 1918 C PHE A 125 7.345 7.686 -3.877 1.00 0.00 C ATOM 1919 O PHE A 125 8.470 7.283 -4.170 1.00 0.00 O ATOM 1920 CB PHE A 125 7.993 9.777 -2.661 1.00 0.00 C ATOM 1921 CG PHE A 125 7.847 10.591 -3.916 1.00 0.00 C ATOM 1922 CD1 PHE A 125 6.639 11.186 -4.240 1.00 0.00 C ATOM 1923 CD2 PHE A 125 8.926 10.767 -4.769 1.00 0.00 C ATOM 1924 CE1 PHE A 125 6.508 11.939 -5.391 1.00 0.00 C ATOM 1925 CE2 PHE A 125 8.800 11.517 -5.922 1.00 0.00 C ATOM 1926 CZ PHE A 125 7.589 12.104 -6.233 1.00 0.00 C ATOM 0 H PHE A 125 8.254 8.056 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 125 6.066 8.814 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.750 10.405 -1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.036 9.480 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 125 5.789 11.060 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 125 9.876 10.312 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.561 12.398 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 125 9.647 11.644 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.488 12.691 -7.134 1.00 0.00 H new ATOM 1936 N TYR A 126 6.270 7.435 -4.620 1.00 0.00 N ATOM 1937 CA TYR A 126 6.357 6.654 -5.851 1.00 0.00 C ATOM 1938 C TYR A 126 6.455 7.575 -7.064 1.00 0.00 C ATOM 1939 O TYR A 126 6.113 8.754 -6.985 1.00 0.00 O ATOM 1940 CB TYR A 126 5.144 5.729 -5.989 1.00 0.00 C ATOM 1941 CG TYR A 126 5.486 4.263 -5.863 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.196 3.607 -6.862 1.00 0.00 C ATOM 1943 CD2 TYR A 126 5.097 3.532 -4.749 1.00 0.00 C ATOM 1944 CE1 TYR A 126 6.507 2.266 -6.753 1.00 0.00 C ATOM 1945 CE2 TYR A 126 5.405 2.190 -4.631 1.00 0.00 C ATOM 1946 CZ TYR A 126 6.109 1.562 -5.636 1.00 0.00 C ATOM 1947 OH TYR A 126 6.417 0.226 -5.524 1.00 0.00 O ATOM 0 H TYR A 126 5.331 7.760 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 126 7.258 6.042 -5.803 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.410 5.989 -5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.673 5.902 -6.957 1.00 0.00 H new ATOM 0 HD1 TYR A 126 6.510 4.155 -7.738 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.544 4.021 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.059 1.771 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 126 5.096 1.637 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 126 6.504 -0.012 -4.577 1.00 0.00 H new ATOM 1957 N VAL A 127 6.924 7.029 -8.182 1.00 0.00 N ATOM 1958 CA VAL A 127 7.074 7.792 -9.413 1.00 0.00 C ATOM 1959 C VAL A 127 7.335 6.865 -10.592 1.00 0.00 C ATOM 1960 O VAL A 127 8.455 6.394 -10.779 1.00 0.00 O ATOM 1961 CB VAL A 127 8.232 8.805 -9.318 1.00 0.00 C ATOM 1962 CG1 VAL A 127 7.795 10.050 -8.567 1.00 0.00 C ATOM 1963 CG2 VAL A 127 9.446 8.173 -8.651 1.00 0.00 C ATOM 0 H VAL A 127 7.208 6.052 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 127 6.140 8.334 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 127 8.513 9.098 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.627 10.752 -8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 127 6.961 10.517 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 127 7.483 9.776 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 127 10.252 8.905 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.180 7.847 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 127 9.776 7.314 -9.235 1.00 0.00 H new ATOM 1973 N SER A 128 6.291 6.619 -11.380 1.00 0.00 N ATOM 1974 CA SER A 128 6.374 5.748 -12.567 1.00 0.00 C ATOM 1975 C SER A 128 5.853 4.337 -12.280 1.00 0.00 C ATOM 1976 O SER A 128 6.111 3.763 -11.217 1.00 0.00 O ATOM 1977 CB SER A 128 7.806 5.668 -13.117 1.00 0.00 C ATOM 1978 OG SER A 128 8.541 4.635 -12.481 1.00 0.00 O ATOM 0 H SER A 128 5.363 7.013 -11.221 1.00 0.00 H new ATOM 0 HA SER A 128 5.735 6.204 -13.323 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.776 5.489 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.310 6.623 -12.967 1.00 0.00 H new ATOM 0 HG SER A 128 9.055 5.010 -11.736 1.00 0.00 H new ATOM 1984 N ALA A 129 5.129 3.780 -13.250 1.00 0.00 N ATOM 1985 CA ALA A 129 4.575 2.438 -13.128 1.00 0.00 C ATOM 1986 C ALA A 129 5.641 1.378 -13.384 1.00 0.00 C ATOM 1987 O ALA A 129 5.456 0.204 -13.063 1.00 0.00 O ATOM 1988 CB ALA A 129 3.412 2.260 -14.091 1.00 0.00 C ATOM 0 H ALA A 129 4.913 4.243 -14.133 1.00 0.00 H new ATOM 0 HA ALA A 129 4.213 2.312 -12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 129 3.007 1.253 -13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.635 2.989 -13.861 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.760 2.410 -15.113 1.00 0.00 H new ATOM 1994 N GLU A 130 6.764 1.794 -13.956 1.00 0.00 N ATOM 1995 CA GLU A 130 7.853 0.872 -14.238 1.00 0.00 C ATOM 1996 C GLU A 130 8.445 0.350 -12.936 1.00 0.00 C ATOM 1997 O GLU A 130 8.768 -0.834 -12.809 1.00 0.00 O ATOM 1998 CB GLU A 130 8.937 1.563 -15.069 1.00 0.00 C ATOM 1999 CG GLU A 130 8.737 1.418 -16.569 1.00 0.00 C ATOM 2000 CD GLU A 130 8.432 2.740 -17.247 1.00 0.00 C ATOM 2001 OE1 GLU A 130 7.316 3.264 -17.051 1.00 0.00 O ATOM 2002 OE2 GLU A 130 9.310 3.251 -17.975 1.00 0.00 O ATOM 0 H GLU A 130 6.943 2.760 -14.232 1.00 0.00 H new ATOM 0 HA GLU A 130 7.459 0.032 -14.810 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.959 2.623 -14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 130 9.909 1.150 -14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.634 0.986 -17.011 1.00 0.00 H new ATOM 0 HG3 GLU A 130 7.921 0.720 -16.757 1.00 0.00 H new ATOM 2009 N GLN A 131 8.582 1.236 -11.958 1.00 0.00 N ATOM 2010 CA GLN A 131 9.134 0.837 -10.679 1.00 0.00 C ATOM 2011 C GLN A 131 8.102 0.133 -9.811 1.00 0.00 C ATOM 2012 O GLN A 131 8.422 -0.840 -9.135 1.00 0.00 O ATOM 2013 CB GLN A 131 9.723 2.009 -9.917 1.00 0.00 C ATOM 2014 CG GLN A 131 8.752 3.148 -9.663 1.00 0.00 C ATOM 2015 CD GLN A 131 9.459 4.415 -9.225 1.00 0.00 C ATOM 2016 OE1 GLN A 131 10.289 4.959 -9.955 1.00 0.00 O ATOM 2017 NE2 GLN A 131 9.140 4.890 -8.028 1.00 0.00 N ATOM 0 H GLN A 131 8.322 2.220 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 131 9.937 0.136 -10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.101 1.650 -8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.578 2.394 -10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 131 8.182 3.347 -10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.037 2.849 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.447 4.408 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.588 5.738 -7.680 1.00 0.00 H new ATOM 2026 N VAL A 132 6.863 0.622 -9.822 1.00 0.00 N ATOM 2027 CA VAL A 132 5.818 0.006 -9.018 1.00 0.00 C ATOM 2028 C VAL A 132 5.705 -1.481 -9.341 1.00 0.00 C ATOM 2029 O VAL A 132 5.283 -2.278 -8.501 1.00 0.00 O ATOM 2030 CB VAL A 132 4.439 0.680 -9.216 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.543 2.195 -9.155 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.788 0.235 -10.518 1.00 0.00 C ATOM 0 H VAL A 132 6.565 1.429 -10.370 1.00 0.00 H new ATOM 0 HA VAL A 132 6.107 0.141 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 132 3.802 0.358 -8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.555 2.634 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.935 2.494 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 132 5.213 2.546 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.821 0.726 -10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 132 4.430 0.506 -11.357 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.647 -0.846 -10.503 1.00 0.00 H new ATOM 2042 N VAL A 133 6.082 -1.846 -10.564 1.00 0.00 N ATOM 2043 CA VAL A 133 6.017 -3.237 -10.990 1.00 0.00 C ATOM 2044 C VAL A 133 7.244 -4.020 -10.530 1.00 0.00 C ATOM 2045 O VAL A 133 7.131 -5.200 -10.199 1.00 0.00 O ATOM 2046 CB VAL A 133 5.864 -3.372 -12.520 1.00 0.00 C ATOM 2047 CG1 VAL A 133 7.090 -2.837 -13.238 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.604 -4.820 -12.903 1.00 0.00 C ATOM 0 H VAL A 133 6.433 -1.201 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 133 5.129 -3.658 -10.519 1.00 0.00 H new ATOM 0 HB VAL A 133 5.007 -2.775 -12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.957 -2.944 -14.315 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.225 -1.784 -12.992 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.970 -3.399 -12.924 1.00 0.00 H new ATOM 0 HG21 VAL A 133 5.499 -4.897 -13.985 1.00 0.00 H new ATOM 0 HG22 VAL A 133 6.439 -5.439 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.687 -5.164 -12.424 1.00 0.00 H new ATOM 2058 N GLN A 134 8.415 -3.374 -10.485 1.00 0.00 N ATOM 2059 CA GLN A 134 9.613 -4.078 -10.028 1.00 0.00 C ATOM 2060 C GLN A 134 9.562 -4.225 -8.517 1.00 0.00 C ATOM 2061 O GLN A 134 10.072 -5.190 -7.954 1.00 0.00 O ATOM 2062 CB GLN A 134 10.900 -3.371 -10.457 1.00 0.00 C ATOM 2063 CG GLN A 134 10.798 -1.862 -10.462 1.00 0.00 C ATOM 2064 CD GLN A 134 12.086 -1.189 -10.892 1.00 0.00 C ATOM 2065 OE1 GLN A 134 13.052 -1.126 -10.130 1.00 0.00 O ATOM 2066 NE2 GLN A 134 12.107 -0.681 -12.119 1.00 0.00 N ATOM 0 H GLN A 134 8.556 -2.399 -10.750 1.00 0.00 H new ATOM 0 HA GLN A 134 9.626 -5.063 -10.495 1.00 0.00 H new ATOM 0 HB2 GLN A 134 11.707 -3.669 -9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 134 11.174 -3.710 -11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.993 -1.559 -11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.529 -1.517 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 134 11.284 -0.756 -12.716 1.00 0.00 H new ATOM 0 HE22 GLN A 134 12.947 -0.216 -12.464 1.00 0.00 H new ATOM 2075 N GLY A 135 8.896 -3.272 -7.874 1.00 0.00 N ATOM 2076 CA GLY A 135 8.731 -3.320 -6.440 1.00 0.00 C ATOM 2077 C GLY A 135 7.565 -4.212 -6.070 1.00 0.00 C ATOM 2078 O GLY A 135 7.471 -4.696 -4.942 1.00 0.00 O ATOM 0 H GLY A 135 8.467 -2.465 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.644 -3.693 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.564 -2.315 -6.053 1.00 0.00 H new ATOM 2082 N MET A 136 6.683 -4.446 -7.044 1.00 0.00 N ATOM 2083 CA MET A 136 5.529 -5.303 -6.843 1.00 0.00 C ATOM 2084 C MET A 136 5.928 -6.754 -7.058 1.00 0.00 C ATOM 2085 O MET A 136 5.496 -7.650 -6.333 1.00 0.00 O ATOM 2086 CB MET A 136 4.406 -4.917 -7.808 1.00 0.00 C ATOM 2087 CG MET A 136 3.452 -3.877 -7.245 1.00 0.00 C ATOM 2088 SD MET A 136 2.446 -3.093 -8.519 1.00 0.00 S ATOM 2089 CE MET A 136 0.838 -3.795 -8.159 1.00 0.00 C ATOM 0 H MET A 136 6.753 -4.049 -7.981 1.00 0.00 H new ATOM 0 HA MET A 136 5.166 -5.178 -5.823 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.845 -4.534 -8.729 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.841 -5.811 -8.072 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.799 -4.349 -6.511 1.00 0.00 H new ATOM 0 HG3 MET A 136 4.024 -3.113 -6.718 1.00 0.00 H new ATOM 0 HE1 MET A 136 0.081 -3.302 -8.769 1.00 0.00 H new ATOM 0 HE2 MET A 136 0.848 -4.861 -8.385 1.00 0.00 H new ATOM 0 HE3 MET A 136 0.605 -3.650 -7.104 1.00 0.00 H new ATOM 2099 N LYS A 137 6.774 -6.966 -8.060 1.00 0.00 N ATOM 2100 CA LYS A 137 7.261 -8.296 -8.392 1.00 0.00 C ATOM 2101 C LYS A 137 8.379 -8.728 -7.441 1.00 0.00 C ATOM 2102 O LYS A 137 8.724 -9.908 -7.372 1.00 0.00 O ATOM 2103 CB LYS A 137 7.748 -8.330 -9.843 1.00 0.00 C ATOM 2104 CG LYS A 137 8.973 -7.475 -10.111 1.00 0.00 C ATOM 2105 CD LYS A 137 9.045 -7.050 -11.574 1.00 0.00 C ATOM 2106 CE LYS A 137 8.871 -8.227 -12.522 1.00 0.00 C ATOM 2107 NZ LYS A 137 10.040 -9.152 -12.482 1.00 0.00 N ATOM 0 H LYS A 137 7.138 -6.226 -8.660 1.00 0.00 H new ATOM 0 HA LYS A 137 6.437 -9.000 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.973 -9.361 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.939 -7.998 -10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.948 -6.591 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.872 -8.032 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.273 -6.307 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.005 -6.570 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.966 -8.774 -12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 137 8.735 -7.857 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 9.882 -9.940 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 10.900 -8.637 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 10.155 -9.525 -11.518 1.00 0.00 H new ATOM 2121 N GLU A 138 8.931 -7.768 -6.698 1.00 0.00 N ATOM 2122 CA GLU A 138 9.996 -8.059 -5.744 1.00 0.00 C ATOM 2123 C GLU A 138 9.400 -8.571 -4.442 1.00 0.00 C ATOM 2124 O GLU A 138 9.633 -9.712 -4.043 1.00 0.00 O ATOM 2125 CB GLU A 138 10.839 -6.807 -5.479 1.00 0.00 C ATOM 2126 CG GLU A 138 12.250 -6.897 -6.036 1.00 0.00 C ATOM 2127 CD GLU A 138 12.292 -6.738 -7.543 1.00 0.00 C ATOM 2128 OE1 GLU A 138 11.897 -7.687 -8.252 1.00 0.00 O ATOM 2129 OE2 GLU A 138 12.719 -5.662 -8.015 1.00 0.00 O ATOM 0 H GLU A 138 8.658 -6.786 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 138 10.642 -8.827 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.339 -5.943 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.892 -6.635 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 138 12.868 -6.127 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 138 12.684 -7.859 -5.763 1.00 0.00 H new ATOM 2136 N ALA A 139 8.612 -7.720 -3.798 1.00 0.00 N ATOM 2137 CA ALA A 139 7.955 -8.085 -2.551 1.00 0.00 C ATOM 2138 C ALA A 139 7.030 -9.277 -2.766 1.00 0.00 C ATOM 2139 O ALA A 139 6.670 -9.976 -1.821 1.00 0.00 O ATOM 2140 CB ALA A 139 7.174 -6.900 -2.000 1.00 0.00 C ATOM 0 H ALA A 139 8.413 -6.773 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 139 8.718 -8.367 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 139 6.688 -7.187 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 139 7.856 -6.070 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.419 -6.594 -2.724 1.00 0.00 H new ATOM 2146 N GLN A 140 6.651 -9.502 -4.022 1.00 0.00 N ATOM 2147 CA GLN A 140 5.769 -10.606 -4.375 1.00 0.00 C ATOM 2148 C GLN A 140 6.408 -11.962 -4.059 1.00 0.00 C ATOM 2149 O GLN A 140 5.725 -12.987 -4.051 1.00 0.00 O ATOM 2150 CB GLN A 140 5.423 -10.536 -5.866 1.00 0.00 C ATOM 2151 CG GLN A 140 3.979 -10.155 -6.141 1.00 0.00 C ATOM 2152 CD GLN A 140 3.269 -11.169 -7.021 1.00 0.00 C ATOM 2153 OE1 GLN A 140 2.906 -12.307 -6.440 1.00 0.00 O flip ATOM 2154 NE2 GLN A 140 3.052 -10.931 -8.209 1.00 0.00 N flip ATOM 0 H GLN A 140 6.944 -8.930 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 140 4.862 -10.513 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 140 6.079 -9.811 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 140 5.627 -11.504 -6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.445 -10.062 -5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 140 3.950 -9.177 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.349 -10.043 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 140 2.576 -11.622 -8.789 1.00 0.00 H new ATOM 2163 N GLU A 141 7.717 -11.968 -3.823 1.00 0.00 N ATOM 2164 CA GLU A 141 8.437 -13.205 -3.534 1.00 0.00 C ATOM 2165 C GLU A 141 8.659 -13.410 -2.034 1.00 0.00 C ATOM 2166 O GLU A 141 8.883 -14.534 -1.585 1.00 0.00 O ATOM 2167 CB GLU A 141 9.783 -13.201 -4.268 1.00 0.00 C ATOM 2168 CG GLU A 141 10.782 -14.209 -3.725 1.00 0.00 C ATOM 2169 CD GLU A 141 11.933 -14.465 -4.678 1.00 0.00 C ATOM 2170 OE1 GLU A 141 12.811 -13.585 -4.799 1.00 0.00 O ATOM 2171 OE2 GLU A 141 11.957 -15.546 -5.305 1.00 0.00 O ATOM 0 H GLU A 141 8.300 -11.131 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 141 7.823 -14.034 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.611 -13.408 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.217 -12.203 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.176 -13.848 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.269 -15.149 -3.521 1.00 0.00 H new ATOM 2178 N ARG A 142 8.614 -12.330 -1.264 1.00 0.00 N ATOM 2179 CA ARG A 142 8.830 -12.418 0.180 1.00 0.00 C ATOM 2180 C ARG A 142 7.543 -12.182 0.969 1.00 0.00 C ATOM 2181 O ARG A 142 7.480 -12.478 2.162 1.00 0.00 O ATOM 2182 CB ARG A 142 9.908 -11.423 0.627 1.00 0.00 C ATOM 2183 CG ARG A 142 10.018 -10.191 -0.257 1.00 0.00 C ATOM 2184 CD ARG A 142 11.245 -9.366 0.093 1.00 0.00 C ATOM 2185 NE ARG A 142 12.466 -9.944 -0.463 1.00 0.00 N ATOM 2186 CZ ARG A 142 13.689 -9.668 -0.012 1.00 0.00 C ATOM 2187 NH1 ARG A 142 13.857 -8.825 0.998 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.745 -10.241 -0.572 1.00 0.00 N ATOM 0 H ARG A 142 8.431 -11.388 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 142 9.167 -13.433 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.695 -11.107 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.872 -11.932 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.068 -10.495 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.122 -9.580 -0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.120 -8.351 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.338 -9.295 1.177 1.00 0.00 H new ATOM 0 HE ARG A 142 12.377 -10.597 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.047 -8.384 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.796 -8.618 1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.621 -10.892 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.682 -10.031 -0.228 1.00 0.00 H new ATOM 2202 N LEU A 143 6.524 -11.645 0.308 1.00 0.00 N ATOM 2203 CA LEU A 143 5.252 -11.374 0.967 1.00 0.00 C ATOM 2204 C LEU A 143 4.258 -12.507 0.730 1.00 0.00 C ATOM 2205 O LEU A 143 3.682 -13.050 1.673 1.00 0.00 O ATOM 2206 CB LEU A 143 4.664 -10.050 0.469 1.00 0.00 C ATOM 2207 CG LEU A 143 5.256 -8.791 1.112 1.00 0.00 C ATOM 2208 CD1 LEU A 143 4.702 -8.596 2.516 1.00 0.00 C ATOM 2209 CD2 LEU A 143 6.776 -8.865 1.144 1.00 0.00 C ATOM 0 H LEU A 143 6.553 -11.390 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 143 5.439 -11.300 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 143 4.808 -9.990 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 143 3.589 -10.058 0.647 1.00 0.00 H new ATOM 0 HG LEU A 143 4.969 -7.932 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 143 5.134 -7.697 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.618 -8.492 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 143 4.957 -9.459 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 143 7.175 -7.961 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 143 7.086 -9.735 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 143 7.158 -8.953 0.127 1.00 0.00 H new ATOM 2221 N THR A 144 4.057 -12.859 -0.537 1.00 0.00 N ATOM 2222 CA THR A 144 3.135 -13.923 -0.902 1.00 0.00 C ATOM 2223 C THR A 144 3.631 -15.277 -0.403 1.00 0.00 C ATOM 2224 O THR A 144 2.835 -16.173 -0.116 1.00 0.00 O ATOM 2225 CB THR A 144 2.953 -13.957 -2.417 1.00 0.00 C ATOM 2226 OG1 THR A 144 4.077 -14.551 -3.043 1.00 0.00 O ATOM 2227 CG2 THR A 144 2.757 -12.587 -3.030 1.00 0.00 C ATOM 0 H THR A 144 4.524 -12.419 -1.329 1.00 0.00 H new ATOM 0 HA THR A 144 2.175 -13.719 -0.428 1.00 0.00 H new ATOM 0 HB THR A 144 2.050 -14.543 -2.585 1.00 0.00 H new ATOM 0 HG1 THR A 144 4.818 -13.910 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.634 -12.685 -4.109 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.868 -12.122 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 144 3.628 -11.966 -2.819 1.00 0.00 H new