USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 619 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 43 HIS : no HD1:sc= -1.09 X(o=-0.69,f=-0.29) USER MOD Set 1.2: A 88 TYR OH : rot 151:sc= 0.402 USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= -0.115 (180deg=-1.77!) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -178:sc=-0.00977 (180deg=-0.0151) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 1.28 (180deg=0.983) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 173:sc= -11.3! (180deg=-11.6!) USER MOD Single : A 42 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.71) USER MOD Single : A 51 THR OG1 : rot 107:sc= 1.16 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 53 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.37) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0485 (180deg=-0.211) USER MOD Single : A 61 SER OG : rot 34:sc= 1.23 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 19:sc= -1.56 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -45:sc= 0.664 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -4.244 -12.358 -16.688 1.00 0.00 N ATOM 366 CA LYS A 24 -4.081 -10.972 -17.111 1.00 0.00 C ATOM 367 C LYS A 24 -5.125 -10.076 -16.450 1.00 0.00 C ATOM 368 O LYS A 24 -5.838 -9.332 -17.125 1.00 0.00 O ATOM 369 CB LYS A 24 -4.189 -10.867 -18.635 1.00 0.00 C ATOM 370 CG LYS A 24 -3.229 -9.858 -19.243 1.00 0.00 C ATOM 371 CD LYS A 24 -2.007 -10.538 -19.843 1.00 0.00 C ATOM 372 CE LYS A 24 -2.037 -10.503 -21.363 1.00 0.00 C ATOM 373 NZ LYS A 24 -0.781 -11.037 -21.957 1.00 0.00 N ATOM 0 HA LYS A 24 -3.092 -10.635 -16.800 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.999 -11.847 -19.073 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.210 -10.591 -18.901 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.743 -9.285 -20.015 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.913 -9.149 -18.478 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.103 -10.045 -19.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.962 -11.573 -19.503 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.885 -11.086 -21.723 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.190 -9.478 -21.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.003 -11.556 -22.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.138 -10.249 -22.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.322 -11.679 -21.280 1.00 0.00 H new ATOM 387 N HIS A 25 -5.208 -10.153 -15.126 1.00 0.00 N ATOM 388 CA HIS A 25 -6.163 -9.350 -14.372 1.00 0.00 C ATOM 389 C HIS A 25 -5.641 -9.058 -12.969 1.00 0.00 C ATOM 390 O HIS A 25 -5.692 -7.920 -12.501 1.00 0.00 O ATOM 391 CB HIS A 25 -7.511 -10.068 -14.289 1.00 0.00 C ATOM 392 CG HIS A 25 -8.687 -9.160 -14.473 1.00 0.00 C ATOM 393 ND1 HIS A 25 -9.269 -8.919 -15.700 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.392 -8.430 -13.576 1.00 0.00 C ATOM 395 CE1 HIS A 25 -10.279 -8.082 -15.550 1.00 0.00 C ATOM 396 NE2 HIS A 25 -10.376 -7.770 -14.271 1.00 0.00 N ATOM 0 H HIS A 25 -4.625 -10.763 -14.553 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.296 -8.403 -14.894 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.544 -10.850 -15.048 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.591 -10.561 -13.320 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.214 -8.377 -12.512 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.918 -7.715 -16.340 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.069 -7.141 -13.865 1.00 0.00 H new ATOM 405 N GLU A 26 -5.139 -10.093 -12.303 1.00 0.00 N ATOM 406 CA GLU A 26 -4.607 -9.949 -10.953 1.00 0.00 C ATOM 407 C GLU A 26 -3.470 -8.933 -10.920 1.00 0.00 C ATOM 408 O GLU A 26 -3.346 -8.155 -9.973 1.00 0.00 O ATOM 409 CB GLU A 26 -4.115 -11.300 -10.429 1.00 0.00 C ATOM 410 CG GLU A 26 -4.458 -11.548 -8.970 1.00 0.00 C ATOM 411 CD GLU A 26 -5.862 -12.091 -8.784 1.00 0.00 C ATOM 412 OE1 GLU A 26 -6.150 -13.186 -9.311 1.00 0.00 O ATOM 413 OE2 GLU A 26 -6.674 -11.420 -8.113 1.00 0.00 O ATOM 0 H GLU A 26 -5.090 -11.041 -12.677 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.410 -9.588 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.548 -12.095 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.034 -11.357 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.741 -12.252 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.356 -10.616 -8.413 1.00 0.00 H new ATOM 420 N ILE A 27 -2.644 -8.943 -11.961 1.00 0.00 N ATOM 421 CA ILE A 27 -1.518 -8.021 -12.051 1.00 0.00 C ATOM 422 C ILE A 27 -1.994 -6.602 -12.343 1.00 0.00 C ATOM 423 O ILE A 27 -1.440 -5.632 -11.825 1.00 0.00 O ATOM 424 CB ILE A 27 -0.521 -8.453 -13.145 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.145 -9.927 -12.972 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.722 -7.576 -13.108 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.348 -10.577 -14.246 1.00 0.00 C ATOM 0 H ILE A 27 -2.733 -9.579 -12.753 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.014 -8.042 -11.085 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.998 -8.331 -14.117 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.629 -10.009 -12.208 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.013 -10.475 -12.606 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.415 -7.894 -13.887 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.439 -6.537 -13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.203 -7.668 -12.134 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.596 -11.620 -14.050 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.432 -10.526 -15.006 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.235 -10.054 -14.602 1.00 0.00 H new ATOM 439 N GLU A 28 -3.025 -6.488 -13.173 1.00 0.00 N ATOM 440 CA GLU A 28 -3.577 -5.187 -13.533 1.00 0.00 C ATOM 441 C GLU A 28 -4.086 -4.453 -12.296 1.00 0.00 C ATOM 442 O GLU A 28 -3.855 -3.256 -12.133 1.00 0.00 O ATOM 443 CB GLU A 28 -4.711 -5.352 -14.545 1.00 0.00 C ATOM 444 CG GLU A 28 -5.261 -4.034 -15.064 1.00 0.00 C ATOM 445 CD GLU A 28 -6.406 -4.223 -16.040 1.00 0.00 C ATOM 446 OE1 GLU A 28 -6.367 -5.199 -16.818 1.00 0.00 O ATOM 447 OE2 GLU A 28 -7.341 -3.396 -16.026 1.00 0.00 O ATOM 0 H GLU A 28 -3.495 -7.281 -13.609 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.781 -4.595 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.352 -5.943 -15.388 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.520 -5.917 -14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.602 -3.430 -14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.461 -3.478 -15.552 1.00 0.00 H new ATOM 454 N ALA A 29 -4.780 -5.182 -11.428 1.00 0.00 N ATOM 455 CA ALA A 29 -5.320 -4.602 -10.204 1.00 0.00 C ATOM 456 C ALA A 29 -4.202 -4.157 -9.269 1.00 0.00 C ATOM 457 O ALA A 29 -4.337 -3.166 -8.551 1.00 0.00 O ATOM 458 CB ALA A 29 -6.231 -5.600 -9.505 1.00 0.00 C ATOM 0 H ALA A 29 -4.981 -6.175 -11.549 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.904 -3.722 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.627 -5.154 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.055 -5.866 -10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.664 -6.496 -9.254 1.00 0.00 H new ATOM 464 N ALA A 30 -3.098 -4.897 -9.282 1.00 0.00 N ATOM 465 CA ALA A 30 -1.955 -4.577 -8.436 1.00 0.00 C ATOM 466 C ALA A 30 -1.415 -3.186 -8.744 1.00 0.00 C ATOM 467 O ALA A 30 -0.980 -2.464 -7.847 1.00 0.00 O ATOM 468 CB ALA A 30 -0.862 -5.621 -8.611 1.00 0.00 C ATOM 0 H ALA A 30 -2.971 -5.722 -9.869 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.289 -4.585 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.014 -5.370 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.248 -6.602 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.540 -5.640 -9.652 1.00 0.00 H new ATOM 474 N ILE A 31 -1.448 -2.814 -10.020 1.00 0.00 N ATOM 475 CA ILE A 31 -0.964 -1.507 -10.447 1.00 0.00 C ATOM 476 C ILE A 31 -1.886 -0.396 -9.956 1.00 0.00 C ATOM 477 O ILE A 31 -1.429 0.604 -9.402 1.00 0.00 O ATOM 478 CB ILE A 31 -0.848 -1.425 -11.982 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.044 -2.609 -12.520 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.207 -0.109 -12.397 1.00 0.00 C ATOM 481 CD1 ILE A 31 -0.020 -2.688 -14.031 1.00 0.00 C ATOM 0 H ILE A 31 -1.805 -3.399 -10.775 1.00 0.00 H new ATOM 0 HA ILE A 31 0.026 -1.375 -10.009 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.850 -1.468 -12.409 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.980 -2.540 -12.152 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.464 -3.533 -12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.133 -0.067 -13.484 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.818 0.721 -12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.790 -0.037 -11.962 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.568 -3.552 -14.341 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.038 -2.789 -14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.427 -1.780 -14.436 1.00 0.00 H new ATOM 493 N VAL A 32 -3.186 -0.579 -10.161 1.00 0.00 N ATOM 494 CA VAL A 32 -4.172 0.407 -9.737 1.00 0.00 C ATOM 495 C VAL A 32 -4.237 0.498 -8.216 1.00 0.00 C ATOM 496 O VAL A 32 -4.524 1.558 -7.660 1.00 0.00 O ATOM 497 CB VAL A 32 -5.573 0.070 -10.281 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.554 1.191 -9.971 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.516 -0.198 -11.778 1.00 0.00 C ATOM 0 H VAL A 32 -3.581 -1.401 -10.618 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.855 1.368 -10.143 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.924 -0.835 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.537 0.933 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.619 1.329 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.209 2.115 -10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.515 -0.434 -12.144 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.141 0.687 -12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.850 -1.039 -11.972 1.00 0.00 H new ATOM 509 N ARG A 33 -3.968 -0.619 -7.549 1.00 0.00 N ATOM 510 CA ARG A 33 -3.997 -0.666 -6.092 1.00 0.00 C ATOM 511 C ARG A 33 -2.871 0.175 -5.498 1.00 0.00 C ATOM 512 O ARG A 33 -3.108 1.029 -4.642 1.00 0.00 O ATOM 513 CB ARG A 33 -3.879 -2.112 -5.605 1.00 0.00 C ATOM 514 CG ARG A 33 -4.341 -2.308 -4.170 1.00 0.00 C ATOM 515 CD ARG A 33 -3.455 -3.297 -3.426 1.00 0.00 C ATOM 516 NE ARG A 33 -4.146 -4.555 -3.156 1.00 0.00 N ATOM 517 CZ ARG A 33 -5.036 -4.716 -2.178 1.00 0.00 C ATOM 518 NH1 ARG A 33 -5.344 -3.703 -1.377 1.00 0.00 N ATOM 519 NH2 ARG A 33 -5.618 -5.894 -2.001 1.00 0.00 N ATOM 0 H ARG A 33 -3.727 -1.504 -7.995 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.950 -0.254 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.467 -2.756 -6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.841 -2.432 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.333 -1.350 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.371 -2.665 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.559 -3.495 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.128 -2.854 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.935 -5.356 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.898 -2.795 -1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.026 -3.833 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.384 -6.676 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.300 -6.019 -1.253 1.00 0.00 H new ATOM 533 N ILE A 34 -1.648 -0.070 -5.956 1.00 0.00 N ATOM 534 CA ILE A 34 -0.488 0.665 -5.470 1.00 0.00 C ATOM 535 C ILE A 34 -0.554 2.130 -5.892 1.00 0.00 C ATOM 536 O ILE A 34 -0.293 3.029 -5.093 1.00 0.00 O ATOM 537 CB ILE A 34 0.828 0.050 -5.986 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.877 -1.446 -5.670 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.026 0.763 -5.376 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.913 -2.201 -6.473 1.00 0.00 C ATOM 0 H ILE A 34 -1.435 -0.773 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.504 0.600 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 34 0.868 0.177 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.086 -1.578 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.104 -1.881 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.946 0.315 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.999 1.818 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.993 0.667 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.891 -3.255 -6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.694 -2.100 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.902 -1.793 -6.266 1.00 0.00 H new ATOM 552 N MET A 35 -0.906 2.362 -7.152 1.00 0.00 N ATOM 553 CA MET A 35 -1.008 3.717 -7.682 1.00 0.00 C ATOM 554 C MET A 35 -2.029 4.538 -6.898 1.00 0.00 C ATOM 555 O MET A 35 -1.975 5.768 -6.893 1.00 0.00 O ATOM 556 CB MET A 35 -1.397 3.681 -9.162 1.00 0.00 C ATOM 557 CG MET A 35 -0.260 3.288 -10.092 1.00 0.00 C ATOM 558 SD MET A 35 1.233 4.262 -9.832 1.00 0.00 S ATOM 559 CE MET A 35 1.142 5.356 -11.239 1.00 0.00 C ATOM 0 H MET A 35 -1.126 1.629 -7.826 1.00 0.00 H new ATOM 0 HA MET A 35 -0.032 4.192 -7.579 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.220 2.978 -9.294 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.768 4.664 -9.453 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.028 2.233 -9.947 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.587 3.404 -11.125 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.016 6.007 -11.251 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.116 4.768 -12.156 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.239 5.962 -11.171 1.00 0.00 H new ATOM 569 N LYS A 36 -2.959 3.855 -6.239 1.00 0.00 N ATOM 570 CA LYS A 36 -3.990 4.528 -5.456 1.00 0.00 C ATOM 571 C LYS A 36 -3.418 5.075 -4.152 1.00 0.00 C ATOM 572 O LYS A 36 -3.779 6.169 -3.716 1.00 0.00 O ATOM 573 CB LYS A 36 -5.141 3.567 -5.155 1.00 0.00 C ATOM 574 CG LYS A 36 -6.502 4.242 -5.116 1.00 0.00 C ATOM 575 CD LYS A 36 -7.409 3.607 -4.074 1.00 0.00 C ATOM 576 CE LYS A 36 -7.210 4.237 -2.705 1.00 0.00 C ATOM 577 NZ LYS A 36 -8.420 4.099 -1.849 1.00 0.00 N ATOM 0 H LYS A 36 -3.020 2.837 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.366 5.364 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.155 2.782 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.957 3.082 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.377 5.302 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.971 4.175 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.449 3.718 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.206 2.538 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.360 3.768 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.967 5.293 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.243 4.541 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.226 4.568 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.637 3.091 -1.715 1.00 0.00 H new ATOM 591 N SER A 37 -2.528 4.308 -3.533 1.00 0.00 N ATOM 592 CA SER A 37 -1.910 4.715 -2.276 1.00 0.00 C ATOM 593 C SER A 37 -0.627 5.500 -2.524 1.00 0.00 C ATOM 594 O SER A 37 -0.406 6.554 -1.926 1.00 0.00 O ATOM 595 CB SER A 37 -1.611 3.489 -1.412 1.00 0.00 C ATOM 596 OG SER A 37 -1.047 3.868 -0.167 1.00 0.00 O ATOM 0 H SER A 37 -2.218 3.401 -3.881 1.00 0.00 H new ATOM 0 HA SER A 37 -2.612 5.362 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.529 2.927 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.924 2.827 -1.940 1.00 0.00 H new ATOM 0 HG SER A 37 -0.866 3.067 0.368 1.00 0.00 H new ATOM 602 N ARG A 38 0.221 4.980 -3.406 1.00 0.00 N ATOM 603 CA ARG A 38 1.485 5.632 -3.729 1.00 0.00 C ATOM 604 C ARG A 38 1.266 6.859 -4.613 1.00 0.00 C ATOM 605 O ARG A 38 2.102 7.762 -4.648 1.00 0.00 O ATOM 606 CB ARG A 38 2.427 4.647 -4.425 1.00 0.00 C ATOM 607 CG ARG A 38 3.476 4.053 -3.500 1.00 0.00 C ATOM 608 CD ARG A 38 4.748 3.699 -4.254 1.00 0.00 C ATOM 609 NE ARG A 38 5.633 4.852 -4.410 1.00 0.00 N ATOM 610 CZ ARG A 38 6.302 5.413 -3.405 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.188 4.935 -2.173 1.00 0.00 N ATOM 612 NH2 ARG A 38 7.087 6.457 -3.634 1.00 0.00 N ATOM 0 H ARG A 38 0.055 4.109 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 38 1.939 5.963 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.838 3.839 -4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.927 5.156 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.708 4.764 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.076 3.160 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.275 2.907 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.489 3.306 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 38 5.744 5.250 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.585 4.133 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.703 5.370 -1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.178 6.829 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.600 6.888 -2.865 1.00 0.00 H new ATOM 626 N LYS A 39 0.140 6.885 -5.323 1.00 0.00 N ATOM 627 CA LYS A 39 -0.186 8.000 -6.207 1.00 0.00 C ATOM 628 C LYS A 39 0.811 8.097 -7.358 1.00 0.00 C ATOM 629 O LYS A 39 0.508 7.714 -8.488 1.00 0.00 O ATOM 630 CB LYS A 39 -0.216 9.316 -5.423 1.00 0.00 C ATOM 631 CG LYS A 39 -1.313 9.374 -4.374 1.00 0.00 C ATOM 632 CD LYS A 39 -2.694 9.320 -5.006 1.00 0.00 C ATOM 633 CE LYS A 39 -3.789 9.296 -3.952 1.00 0.00 C ATOM 634 NZ LYS A 39 -4.954 8.474 -4.380 1.00 0.00 N ATOM 0 H LYS A 39 -0.562 6.145 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.175 7.817 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.748 9.461 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.349 10.142 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.197 8.542 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.214 10.291 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.832 10.184 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.773 8.433 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.387 8.898 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.119 10.315 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.799 8.766 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.121 8.612 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.757 7.470 -4.194 1.00 0.00 H new ATOM 648 N LYS A 40 2.002 8.610 -7.066 1.00 0.00 N ATOM 649 CA LYS A 40 3.041 8.754 -8.079 1.00 0.00 C ATOM 650 C LYS A 40 4.061 7.625 -7.978 1.00 0.00 C ATOM 651 O LYS A 40 4.678 7.423 -6.932 1.00 0.00 O ATOM 652 CB LYS A 40 3.744 10.105 -7.933 1.00 0.00 C ATOM 653 CG LYS A 40 4.463 10.556 -9.195 1.00 0.00 C ATOM 654 CD LYS A 40 5.225 11.853 -8.972 1.00 0.00 C ATOM 655 CE LYS A 40 4.886 12.888 -10.035 1.00 0.00 C ATOM 656 NZ LYS A 40 3.642 13.636 -9.704 1.00 0.00 N ATOM 0 H LYS A 40 2.271 8.933 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 40 2.565 8.704 -9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.009 10.860 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.464 10.044 -7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.155 9.778 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.739 10.692 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.987 12.251 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.297 11.654 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.715 13.589 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.767 12.393 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.445 14.331 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.846 12.971 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.765 14.129 -8.797 1.00 0.00 H new ATOM 670 N MET A 41 4.233 6.889 -9.073 1.00 0.00 N ATOM 671 CA MET A 41 5.178 5.779 -9.107 1.00 0.00 C ATOM 672 C MET A 41 5.888 5.711 -10.456 1.00 0.00 C ATOM 673 O MET A 41 5.268 5.890 -11.505 1.00 0.00 O ATOM 674 CB MET A 41 4.456 4.458 -8.830 1.00 0.00 C ATOM 675 CG MET A 41 5.261 3.492 -7.976 1.00 0.00 C ATOM 676 SD MET A 41 4.337 2.003 -7.554 1.00 0.00 S ATOM 677 CE MET A 41 5.564 1.097 -6.617 1.00 0.00 C ATOM 0 H MET A 41 3.730 7.042 -9.947 1.00 0.00 H new ATOM 0 HA MET A 41 5.925 5.946 -8.331 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.510 4.668 -8.332 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.217 3.978 -9.779 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.170 3.212 -8.509 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.571 3.995 -7.060 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.106 0.209 -6.181 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.378 0.798 -7.277 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.956 1.731 -5.822 1.00 0.00 H new ATOM 687 N GLN A 42 7.191 5.451 -10.420 1.00 0.00 N ATOM 688 CA GLN A 42 7.985 5.357 -11.640 1.00 0.00 C ATOM 689 C GLN A 42 7.738 4.028 -12.348 1.00 0.00 C ATOM 690 O GLN A 42 6.963 3.197 -11.876 1.00 0.00 O ATOM 691 CB GLN A 42 9.473 5.512 -11.318 1.00 0.00 C ATOM 692 CG GLN A 42 10.191 6.502 -12.219 1.00 0.00 C ATOM 693 CD GLN A 42 11.627 6.742 -11.795 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.007 6.453 -10.659 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.433 7.273 -12.706 1.00 0.00 N ATOM 0 H GLN A 42 7.719 5.302 -9.560 1.00 0.00 H new ATOM 0 HA GLN A 42 7.681 6.164 -12.307 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.580 5.833 -10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.958 4.539 -11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.176 6.132 -13.244 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.652 7.449 -12.214 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.076 7.497 -13.635 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.410 7.457 -12.477 1.00 0.00 H new ATOM 704 N HIS A 43 8.399 3.835 -13.484 1.00 0.00 N ATOM 705 CA HIS A 43 8.248 2.607 -14.256 1.00 0.00 C ATOM 706 C HIS A 43 8.886 1.424 -13.532 1.00 0.00 C ATOM 707 O HIS A 43 8.246 0.393 -13.326 1.00 0.00 O ATOM 708 CB HIS A 43 8.875 2.769 -15.642 1.00 0.00 C ATOM 709 CG HIS A 43 8.643 1.597 -16.543 1.00 0.00 C ATOM 710 ND1 HIS A 43 7.967 1.691 -17.742 1.00 0.00 N ATOM 711 CD2 HIS A 43 9.002 0.296 -16.417 1.00 0.00 C ATOM 712 CE1 HIS A 43 7.918 0.501 -18.313 1.00 0.00 C ATOM 713 NE2 HIS A 43 8.539 -0.362 -17.530 1.00 0.00 N ATOM 0 H HIS A 43 9.044 4.513 -13.891 1.00 0.00 H new ATOM 0 HA HIS A 43 7.182 2.409 -14.368 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.470 3.665 -16.113 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.948 2.925 -15.531 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.550 -0.141 -15.595 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.450 0.273 -19.259 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.656 -1.357 -17.721 1.00 0.00 H new ATOM 722 N ASN A 44 10.149 1.580 -13.152 1.00 0.00 N ATOM 723 CA ASN A 44 10.873 0.524 -12.452 1.00 0.00 C ATOM 724 C ASN A 44 10.274 0.271 -11.073 1.00 0.00 C ATOM 725 O ASN A 44 10.119 -0.876 -10.654 1.00 0.00 O ATOM 726 CB ASN A 44 12.352 0.891 -12.319 1.00 0.00 C ATOM 727 CG ASN A 44 12.562 2.161 -11.518 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.727 2.121 -10.299 1.00 0.00 O ATOM 729 ND2 ASN A 44 12.556 3.300 -12.202 1.00 0.00 N ATOM 0 H ASN A 44 10.693 2.427 -13.316 1.00 0.00 H new ATOM 0 HA ASN A 44 10.784 -0.390 -13.039 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.886 0.070 -11.840 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.784 1.015 -13.312 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.692 4.187 -11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.416 3.287 -13.212 1.00 0.00 H new ATOM 736 N VAL A 45 9.939 1.349 -10.371 1.00 0.00 N ATOM 737 CA VAL A 45 9.356 1.242 -9.039 1.00 0.00 C ATOM 738 C VAL A 45 8.056 0.447 -9.070 1.00 0.00 C ATOM 739 O VAL A 45 7.846 -0.452 -8.255 1.00 0.00 O ATOM 740 CB VAL A 45 9.083 2.631 -8.432 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.659 2.506 -6.977 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.307 3.522 -8.564 1.00 0.00 C ATOM 0 H VAL A 45 10.061 2.306 -10.702 1.00 0.00 H new ATOM 0 HA VAL A 45 10.082 0.719 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 45 8.265 3.093 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.471 3.498 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.750 1.908 -6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.452 2.022 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.095 4.499 -8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.147 3.066 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.559 3.641 -9.618 1.00 0.00 H new ATOM 752 N LEU A 46 7.185 0.783 -10.015 1.00 0.00 N ATOM 753 CA LEU A 46 5.904 0.100 -10.153 1.00 0.00 C ATOM 754 C LEU A 46 6.107 -1.373 -10.493 1.00 0.00 C ATOM 755 O LEU A 46 5.356 -2.235 -10.035 1.00 0.00 O ATOM 756 CB LEU A 46 5.058 0.774 -11.236 1.00 0.00 C ATOM 757 CG LEU A 46 3.709 0.108 -11.513 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.629 0.698 -10.622 1.00 0.00 C ATOM 759 CD2 LEU A 46 3.333 0.259 -12.980 1.00 0.00 C ATOM 0 H LEU A 46 7.343 1.525 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 46 5.380 0.165 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.882 1.810 -10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.632 0.796 -12.162 1.00 0.00 H new ATOM 0 HG LEU A 46 3.797 -0.955 -11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.677 0.212 -10.834 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.893 0.539 -9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.541 1.767 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.371 -0.220 -13.160 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.264 1.317 -13.231 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.095 -0.212 -13.601 1.00 0.00 H new ATOM 771 N VAL A 47 7.125 -1.654 -11.300 1.00 0.00 N ATOM 772 CA VAL A 47 7.427 -3.022 -11.704 1.00 0.00 C ATOM 773 C VAL A 47 8.091 -3.797 -10.570 1.00 0.00 C ATOM 774 O VAL A 47 7.732 -4.941 -10.293 1.00 0.00 O ATOM 775 CB VAL A 47 8.345 -3.050 -12.941 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.574 -4.477 -13.412 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.759 -2.200 -14.059 1.00 0.00 C ATOM 0 H VAL A 47 7.755 -0.952 -11.687 1.00 0.00 H new ATOM 0 HA VAL A 47 6.478 -3.497 -11.954 1.00 0.00 H new ATOM 0 HB VAL A 47 9.310 -2.629 -12.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.225 -4.472 -14.286 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.043 -5.053 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.619 -4.931 -13.674 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.420 -2.231 -14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.779 -2.589 -14.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.657 -1.170 -13.718 1.00 0.00 H new ATOM 787 N ALA A 48 9.063 -3.167 -9.918 1.00 0.00 N ATOM 788 CA ALA A 48 9.779 -3.798 -8.816 1.00 0.00 C ATOM 789 C ALA A 48 8.844 -4.107 -7.651 1.00 0.00 C ATOM 790 O ALA A 48 9.082 -5.038 -6.882 1.00 0.00 O ATOM 791 CB ALA A 48 10.923 -2.907 -8.355 1.00 0.00 C ATOM 0 H ALA A 48 9.373 -2.220 -10.134 1.00 0.00 H new ATOM 0 HA ALA A 48 10.187 -4.743 -9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.450 -3.389 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.614 -2.744 -9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.526 -1.949 -8.020 1.00 0.00 H new ATOM 797 N GLU A 49 7.781 -3.317 -7.522 1.00 0.00 N ATOM 798 CA GLU A 49 6.815 -3.507 -6.447 1.00 0.00 C ATOM 799 C GLU A 49 5.820 -4.612 -6.791 1.00 0.00 C ATOM 800 O GLU A 49 5.663 -5.574 -6.039 1.00 0.00 O ATOM 801 CB GLU A 49 6.068 -2.201 -6.170 1.00 0.00 C ATOM 802 CG GLU A 49 6.683 -1.373 -5.053 1.00 0.00 C ATOM 803 CD GLU A 49 5.655 -0.901 -4.043 1.00 0.00 C ATOM 804 OE1 GLU A 49 4.467 -0.786 -4.413 1.00 0.00 O ATOM 805 OE2 GLU A 49 6.038 -0.646 -2.882 1.00 0.00 O ATOM 0 H GLU A 49 7.568 -2.541 -8.148 1.00 0.00 H new ATOM 0 HA GLU A 49 7.362 -3.805 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.045 -1.605 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.034 -2.431 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.443 -1.965 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.188 -0.508 -5.483 1.00 0.00 H new ATOM 812 N VAL A 50 5.148 -4.465 -7.927 1.00 0.00 N ATOM 813 CA VAL A 50 4.163 -5.449 -8.368 1.00 0.00 C ATOM 814 C VAL A 50 4.789 -6.833 -8.511 1.00 0.00 C ATOM 815 O VAL A 50 4.271 -7.815 -7.979 1.00 0.00 O ATOM 816 CB VAL A 50 3.528 -5.044 -9.712 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.406 -6.001 -10.085 1.00 0.00 C ATOM 818 CG2 VAL A 50 3.017 -3.610 -9.653 1.00 0.00 C ATOM 0 H VAL A 50 5.266 -3.674 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 50 3.388 -5.483 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 50 4.295 -5.101 -10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.971 -5.698 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.804 -7.012 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.638 -5.980 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.572 -3.343 -10.611 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.266 -3.523 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.847 -2.937 -9.438 1.00 0.00 H new ATOM 828 N THR A 51 5.900 -6.905 -9.235 1.00 0.00 N ATOM 829 CA THR A 51 6.592 -8.172 -9.451 1.00 0.00 C ATOM 830 C THR A 51 6.993 -8.812 -8.126 1.00 0.00 C ATOM 831 O THR A 51 6.739 -9.995 -7.895 1.00 0.00 O ATOM 832 CB THR A 51 7.830 -7.959 -10.323 1.00 0.00 C ATOM 833 OG1 THR A 51 7.523 -7.141 -11.438 1.00 0.00 O ATOM 834 CG2 THR A 51 8.420 -9.249 -10.850 1.00 0.00 C ATOM 0 H THR A 51 6.341 -6.102 -9.683 1.00 0.00 H new ATOM 0 HA THR A 51 5.905 -8.846 -9.963 1.00 0.00 H new ATOM 0 HB THR A 51 8.563 -7.482 -9.672 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.910 -6.250 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.295 -9.026 -11.461 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.713 -9.883 -10.014 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.677 -9.768 -11.456 1.00 0.00 H new ATOM 842 N GLN A 52 7.624 -8.027 -7.260 1.00 0.00 N ATOM 843 CA GLN A 52 8.061 -8.521 -5.958 1.00 0.00 C ATOM 844 C GLN A 52 6.869 -8.795 -5.047 1.00 0.00 C ATOM 845 O GLN A 52 6.917 -9.685 -4.198 1.00 0.00 O ATOM 846 CB GLN A 52 9.003 -7.514 -5.296 1.00 0.00 C ATOM 847 CG GLN A 52 9.926 -8.136 -4.261 1.00 0.00 C ATOM 848 CD GLN A 52 10.392 -7.137 -3.220 1.00 0.00 C ATOM 849 OE1 GLN A 52 10.671 -5.979 -3.534 1.00 0.00 O ATOM 850 NE2 GLN A 52 10.480 -7.580 -1.971 1.00 0.00 N ATOM 0 H GLN A 52 7.845 -7.047 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 52 8.595 -9.458 -6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.606 -7.032 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.410 -6.733 -4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.409 -8.957 -3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.794 -8.563 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.239 -8.547 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.789 -6.953 -1.228 1.00 0.00 H new ATOM 859 N GLN A 53 5.802 -8.024 -5.227 1.00 0.00 N ATOM 860 CA GLN A 53 4.598 -8.185 -4.418 1.00 0.00 C ATOM 861 C GLN A 53 3.845 -9.452 -4.809 1.00 0.00 C ATOM 862 O GLN A 53 3.497 -10.268 -3.955 1.00 0.00 O ATOM 863 CB GLN A 53 3.687 -6.965 -4.572 1.00 0.00 C ATOM 864 CG GLN A 53 4.061 -5.808 -3.660 1.00 0.00 C ATOM 865 CD GLN A 53 3.155 -4.606 -3.841 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.943 -4.748 -4.006 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.740 -3.414 -3.812 1.00 0.00 N ATOM 0 H GLN A 53 5.746 -7.282 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 53 4.900 -8.273 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.720 -6.626 -5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.659 -7.261 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.016 -6.139 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.092 -5.514 -3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.748 -3.344 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.181 -2.569 -3.929 1.00 0.00 H new ATOM 876 N LEU A 54 3.593 -9.609 -6.104 1.00 0.00 N ATOM 877 CA LEU A 54 2.880 -10.777 -6.608 1.00 0.00 C ATOM 878 C LEU A 54 3.858 -11.843 -7.096 1.00 0.00 C ATOM 879 O LEU A 54 3.651 -12.459 -8.142 1.00 0.00 O ATOM 880 CB LEU A 54 1.939 -10.374 -7.745 1.00 0.00 C ATOM 881 CG LEU A 54 0.913 -9.298 -7.384 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.259 -8.743 -8.641 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.138 -9.861 -6.439 1.00 0.00 C ATOM 0 H LEU A 54 3.872 -8.942 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 54 2.293 -11.195 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.538 -10.017 -8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.407 -11.261 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 54 1.430 -8.483 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.468 -7.979 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.021 -8.304 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.246 -9.548 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.860 -9.082 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.652 -10.693 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.344 -10.211 -5.526 1.00 0.00 H new ATOM 895 N LYS A 55 4.925 -12.054 -6.331 1.00 0.00 N ATOM 896 CA LYS A 55 5.934 -13.044 -6.685 1.00 0.00 C ATOM 897 C LYS A 55 5.684 -14.364 -5.962 1.00 0.00 C ATOM 898 O LYS A 55 5.795 -15.438 -6.553 1.00 0.00 O ATOM 899 CB LYS A 55 7.332 -12.517 -6.349 1.00 0.00 C ATOM 900 CG LYS A 55 8.301 -12.575 -7.520 1.00 0.00 C ATOM 901 CD LYS A 55 9.735 -12.769 -7.049 1.00 0.00 C ATOM 902 CE LYS A 55 10.521 -11.468 -7.097 1.00 0.00 C ATOM 903 NZ LYS A 55 10.945 -11.025 -5.740 1.00 0.00 N ATOM 0 H LYS A 55 5.112 -11.552 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 55 5.869 -13.225 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.250 -11.485 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.740 -13.096 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.022 -13.393 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.229 -11.654 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.735 -13.157 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.226 -13.515 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.400 -11.598 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.910 -10.692 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.629 -10.246 -5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.114 -10.698 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.388 -11.821 -5.238 1.00 0.00 H new ATOM 917 N ALA A 56 5.347 -14.275 -4.679 1.00 0.00 N ATOM 918 CA ALA A 56 5.082 -15.463 -3.875 1.00 0.00 C ATOM 919 C ALA A 56 3.782 -16.136 -4.300 1.00 0.00 C ATOM 920 O ALA A 56 3.686 -17.364 -4.325 1.00 0.00 O ATOM 921 CB ALA A 56 5.032 -15.100 -2.398 1.00 0.00 C ATOM 0 H ALA A 56 5.251 -13.394 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 56 5.896 -16.170 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.834 -15.996 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.988 -14.672 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.239 -14.372 -2.229 1.00 0.00 H new ATOM 927 N ARG A 57 2.784 -15.326 -4.636 1.00 0.00 N ATOM 928 CA ARG A 57 1.488 -15.843 -5.061 1.00 0.00 C ATOM 929 C ARG A 57 1.622 -16.663 -6.340 1.00 0.00 C ATOM 930 O ARG A 57 1.200 -17.819 -6.396 1.00 0.00 O ATOM 931 CB ARG A 57 0.504 -14.693 -5.281 1.00 0.00 C ATOM 932 CG ARG A 57 -0.169 -14.216 -4.005 1.00 0.00 C ATOM 933 CD ARG A 57 -0.982 -12.953 -4.242 1.00 0.00 C ATOM 934 NE ARG A 57 -2.351 -13.253 -4.653 1.00 0.00 N ATOM 935 CZ ARG A 57 -3.303 -13.665 -3.817 1.00 0.00 C ATOM 936 NH1 ARG A 57 -3.038 -13.829 -2.527 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.523 -13.912 -4.274 1.00 0.00 N ATOM 0 H ARG A 57 2.848 -14.308 -4.622 1.00 0.00 H new ATOM 0 HA ARG A 57 1.108 -16.492 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.032 -13.856 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.262 -15.011 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.819 -15.002 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.587 -14.026 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.000 -12.357 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.497 -12.348 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.592 -13.141 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.101 -13.639 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.771 -14.145 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.732 -13.787 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.253 -14.228 -3.635 1.00 0.00 H new ATOM 951 N PHE A 58 2.213 -16.059 -7.365 1.00 0.00 N ATOM 952 CA PHE A 58 2.404 -16.732 -8.644 1.00 0.00 C ATOM 953 C PHE A 58 3.619 -16.172 -9.376 1.00 0.00 C ATOM 954 O PHE A 58 4.361 -15.355 -8.832 1.00 0.00 O ATOM 955 CB PHE A 58 1.154 -16.584 -9.513 1.00 0.00 C ATOM 956 CG PHE A 58 0.840 -15.161 -9.879 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.340 -14.283 -8.931 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.046 -14.703 -11.170 1.00 0.00 C ATOM 959 CE1 PHE A 58 0.051 -12.973 -9.264 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.759 -13.394 -11.509 1.00 0.00 C ATOM 961 CZ PHE A 58 0.261 -12.529 -10.556 1.00 0.00 C ATOM 0 H PHE A 58 2.568 -15.103 -7.335 1.00 0.00 H new ATOM 0 HA PHE A 58 2.577 -17.790 -8.449 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.286 -17.164 -10.426 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.302 -17.011 -8.984 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.174 -14.626 -7.920 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.435 -15.376 -11.920 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.338 -12.298 -8.516 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.924 -13.049 -12.519 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.036 -11.506 -10.819 1.00 0.00 H new ATOM 971 N LEU A 59 3.818 -16.618 -10.613 1.00 0.00 N ATOM 972 CA LEU A 59 4.945 -16.160 -11.418 1.00 0.00 C ATOM 973 C LEU A 59 4.625 -14.827 -12.097 1.00 0.00 C ATOM 974 O LEU A 59 3.794 -14.770 -13.002 1.00 0.00 O ATOM 975 CB LEU A 59 5.302 -17.211 -12.473 1.00 0.00 C ATOM 976 CG LEU A 59 6.801 -17.454 -12.659 1.00 0.00 C ATOM 977 CD1 LEU A 59 7.043 -18.781 -13.360 1.00 0.00 C ATOM 978 CD2 LEU A 59 7.431 -16.312 -13.443 1.00 0.00 C ATOM 0 H LEU A 59 3.214 -17.295 -11.079 1.00 0.00 H new ATOM 0 HA LEU A 59 5.798 -16.013 -10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.827 -18.154 -12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.877 -16.904 -13.429 1.00 0.00 H new ATOM 0 HG LEU A 59 7.269 -17.496 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.115 -18.937 -13.484 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.625 -19.590 -12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.563 -18.768 -14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.497 -16.500 -13.567 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.959 -16.240 -14.423 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.288 -15.377 -12.902 1.00 0.00 H new ATOM 990 N PRO A 60 5.282 -13.732 -11.669 1.00 0.00 N ATOM 991 CA PRO A 60 5.056 -12.403 -12.247 1.00 0.00 C ATOM 992 C PRO A 60 5.703 -12.249 -13.620 1.00 0.00 C ATOM 993 O PRO A 60 6.311 -13.184 -14.139 1.00 0.00 O ATOM 994 CB PRO A 60 5.718 -11.468 -11.236 1.00 0.00 C ATOM 995 CG PRO A 60 6.804 -12.284 -10.626 1.00 0.00 C ATOM 996 CD PRO A 60 6.294 -13.700 -10.594 1.00 0.00 C ATOM 0 HA PRO A 60 3.997 -12.201 -12.410 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.116 -10.577 -11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.006 -11.129 -10.483 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.721 -12.213 -11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.039 -11.932 -9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.094 -14.418 -10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.858 -13.947 -9.626 1.00 0.00 H new ATOM 1004 N SER A 61 5.567 -11.061 -14.202 1.00 0.00 N ATOM 1005 CA SER A 61 6.138 -10.781 -15.515 1.00 0.00 C ATOM 1006 C SER A 61 5.837 -9.346 -15.944 1.00 0.00 C ATOM 1007 O SER A 61 4.758 -9.060 -16.463 1.00 0.00 O ATOM 1008 CB SER A 61 5.587 -11.760 -16.554 1.00 0.00 C ATOM 1009 OG SER A 61 6.422 -12.899 -16.677 1.00 0.00 O ATOM 0 H SER A 61 5.066 -10.277 -13.785 1.00 0.00 H new ATOM 0 HA SER A 61 7.219 -10.904 -15.447 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.582 -12.071 -16.268 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.503 -11.261 -17.519 1.00 0.00 H new ATOM 0 HG SER A 61 6.820 -13.109 -15.806 1.00 0.00 H new ATOM 1015 N PRO A 62 6.790 -8.419 -15.735 1.00 0.00 N ATOM 1016 CA PRO A 62 6.614 -7.011 -16.107 1.00 0.00 C ATOM 1017 C PRO A 62 6.104 -6.845 -17.534 1.00 0.00 C ATOM 1018 O PRO A 62 5.449 -5.854 -17.858 1.00 0.00 O ATOM 1019 CB PRO A 62 8.021 -6.433 -15.973 1.00 0.00 C ATOM 1020 CG PRO A 62 8.682 -7.286 -14.947 1.00 0.00 C ATOM 1021 CD PRO A 62 8.109 -8.668 -15.123 1.00 0.00 C ATOM 0 HA PRO A 62 5.871 -6.515 -15.482 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.556 -6.468 -16.922 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.993 -5.389 -15.662 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.763 -7.292 -15.083 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.489 -6.909 -13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.739 -9.285 -15.764 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.017 -9.189 -14.170 1.00 0.00 H new ATOM 1029 N VAL A 63 6.407 -7.822 -18.383 1.00 0.00 N ATOM 1030 CA VAL A 63 5.977 -7.789 -19.778 1.00 0.00 C ATOM 1031 C VAL A 63 4.495 -7.444 -19.890 1.00 0.00 C ATOM 1032 O VAL A 63 4.107 -6.570 -20.664 1.00 0.00 O ATOM 1033 CB VAL A 63 6.233 -9.136 -20.479 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.957 -9.023 -21.971 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.658 -9.607 -20.227 1.00 0.00 C ATOM 0 H VAL A 63 6.949 -8.648 -18.130 1.00 0.00 H new ATOM 0 HA VAL A 63 6.566 -7.015 -20.270 1.00 0.00 H new ATOM 0 HB VAL A 63 5.551 -9.877 -20.062 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.143 -9.985 -22.449 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.917 -8.735 -22.128 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.612 -8.268 -22.406 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.820 -10.560 -20.730 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.359 -8.868 -20.615 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.816 -9.731 -19.156 1.00 0.00 H new ATOM 1045 N VAL A 64 3.673 -8.132 -19.104 1.00 0.00 N ATOM 1046 CA VAL A 64 2.236 -7.894 -19.108 1.00 0.00 C ATOM 1047 C VAL A 64 1.899 -6.611 -18.357 1.00 0.00 C ATOM 1048 O VAL A 64 0.948 -5.909 -18.699 1.00 0.00 O ATOM 1049 CB VAL A 64 1.467 -9.067 -18.471 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.465 -10.272 -19.397 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.063 -9.425 -17.118 1.00 0.00 C ATOM 0 H VAL A 64 3.979 -8.859 -18.457 1.00 0.00 H new ATOM 0 HA VAL A 64 1.931 -7.799 -20.150 1.00 0.00 H new ATOM 0 HB VAL A 64 0.434 -8.757 -18.316 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.917 -11.090 -18.929 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.985 -10.006 -20.339 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.491 -10.586 -19.588 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.507 -10.256 -16.684 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.106 -9.714 -17.245 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.004 -8.562 -16.455 1.00 0.00 H new ATOM 1061 N ILE A 65 2.692 -6.310 -17.334 1.00 0.00 N ATOM 1062 CA ILE A 65 2.489 -5.110 -16.532 1.00 0.00 C ATOM 1063 C ILE A 65 2.632 -3.856 -17.390 1.00 0.00 C ATOM 1064 O ILE A 65 1.860 -2.908 -17.254 1.00 0.00 O ATOM 1065 CB ILE A 65 3.490 -5.055 -15.355 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.183 -6.165 -14.349 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.453 -3.694 -14.670 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.378 -6.576 -13.517 1.00 0.00 C ATOM 0 H ILE A 65 3.483 -6.883 -17.041 1.00 0.00 H new ATOM 0 HA ILE A 65 1.477 -5.149 -16.128 1.00 0.00 H new ATOM 0 HB ILE A 65 4.493 -5.206 -15.753 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.386 -5.831 -13.685 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.807 -7.036 -14.885 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.166 -3.682 -13.846 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.716 -2.918 -15.389 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.450 -3.508 -14.285 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.086 -7.367 -12.826 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.169 -6.941 -14.172 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.741 -5.717 -12.953 1.00 0.00 H new ATOM 1080 N LYS A 66 3.625 -3.859 -18.274 1.00 0.00 N ATOM 1081 CA LYS A 66 3.867 -2.721 -19.154 1.00 0.00 C ATOM 1082 C LYS A 66 2.650 -2.445 -20.032 1.00 0.00 C ATOM 1083 O LYS A 66 2.247 -1.295 -20.207 1.00 0.00 O ATOM 1084 CB LYS A 66 5.094 -2.979 -20.030 1.00 0.00 C ATOM 1085 CG LYS A 66 6.389 -2.451 -19.433 1.00 0.00 C ATOM 1086 CD LYS A 66 7.330 -1.937 -20.510 1.00 0.00 C ATOM 1087 CE LYS A 66 7.721 -3.040 -21.480 1.00 0.00 C ATOM 1088 NZ LYS A 66 9.109 -2.865 -21.989 1.00 0.00 N ATOM 0 H LYS A 66 4.274 -4.636 -18.400 1.00 0.00 H new ATOM 0 HA LYS A 66 4.051 -1.845 -18.532 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.192 -4.052 -20.198 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.938 -2.517 -21.005 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.166 -1.648 -18.730 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.880 -3.243 -18.867 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.851 -1.124 -21.056 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.226 -1.525 -20.046 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.635 -4.007 -20.984 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.025 -3.049 -22.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.337 -3.637 -22.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.185 -1.954 -22.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.776 -2.882 -21.191 1.00 0.00 H new ATOM 1102 N LYS A 67 2.070 -3.507 -20.582 1.00 0.00 N ATOM 1103 CA LYS A 67 0.900 -3.380 -21.441 1.00 0.00 C ATOM 1104 C LYS A 67 -0.295 -2.846 -20.658 1.00 0.00 C ATOM 1105 O LYS A 67 -1.049 -2.006 -21.150 1.00 0.00 O ATOM 1106 CB LYS A 67 0.549 -4.732 -22.066 1.00 0.00 C ATOM 1107 CG LYS A 67 1.601 -5.245 -23.037 1.00 0.00 C ATOM 1108 CD LYS A 67 1.776 -6.750 -22.925 1.00 0.00 C ATOM 1109 CE LYS A 67 1.987 -7.390 -24.287 1.00 0.00 C ATOM 1110 NZ LYS A 67 2.111 -8.871 -24.193 1.00 0.00 N ATOM 0 H LYS A 67 2.392 -4.465 -20.447 1.00 0.00 H new ATOM 0 HA LYS A 67 1.140 -2.672 -22.234 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.411 -5.465 -21.271 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.404 -4.645 -22.588 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.314 -4.986 -24.056 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.552 -4.751 -22.839 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.628 -6.971 -22.282 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.897 -7.185 -22.450 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.152 -7.137 -24.940 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.886 -6.979 -24.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.254 -9.268 -25.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.923 -9.114 -23.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.243 -9.267 -23.779 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.462 -3.340 -19.435 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.567 -2.914 -18.582 1.00 0.00 C ATOM 1126 C ARG A 68 -1.524 -1.408 -18.345 1.00 0.00 C ATOM 1127 O ARG A 68 -2.556 -0.737 -18.370 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.520 -3.655 -17.244 1.00 0.00 C ATOM 1129 CG ARG A 68 -1.777 -5.148 -17.368 1.00 0.00 C ATOM 1130 CD ARG A 68 -3.248 -5.443 -17.611 1.00 0.00 C ATOM 1131 NE ARG A 68 -3.633 -5.200 -18.999 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.286 -5.989 -20.013 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -2.551 -7.073 -19.799 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -3.678 -5.695 -21.246 1.00 0.00 N ATOM 0 H ARG A 68 0.153 -4.035 -19.012 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.500 -3.156 -19.091 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.543 -3.499 -16.786 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.260 -3.222 -16.572 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.184 -5.553 -18.188 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.450 -5.651 -16.458 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.457 -6.481 -17.353 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.856 -4.823 -16.952 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.201 -4.378 -19.203 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.249 -7.306 -18.853 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.288 -7.674 -20.581 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.245 -4.864 -21.416 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.412 -6.299 -22.023 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.326 -0.881 -18.115 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.153 0.547 -17.875 1.00 0.00 C ATOM 1150 C ILE A 69 -0.618 1.364 -19.076 1.00 0.00 C ATOM 1151 O ILE A 69 -1.431 2.277 -18.939 1.00 0.00 O ATOM 1152 CB ILE A 69 1.318 0.892 -17.562 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.818 0.064 -16.378 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.469 2.380 -17.276 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.319 -0.125 -16.364 1.00 0.00 C ATOM 0 H ILE A 69 0.539 -1.421 -18.090 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.765 0.801 -17.010 1.00 0.00 H new ATOM 0 HB ILE A 69 1.924 0.648 -18.435 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.512 0.549 -15.451 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.337 -0.914 -16.400 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.513 2.604 -17.057 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.150 2.952 -18.147 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.853 2.650 -16.419 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.603 -0.721 -15.497 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.630 -0.638 -17.274 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.808 0.848 -16.311 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.097 1.029 -20.253 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.457 1.731 -21.479 1.00 0.00 C ATOM 1169 C GLU A 70 -1.971 1.769 -21.663 1.00 0.00 C ATOM 1170 O GLU A 70 -2.514 2.721 -22.224 1.00 0.00 O ATOM 1171 CB GLU A 70 0.199 1.054 -22.681 1.00 0.00 C ATOM 1172 CG GLU A 70 1.664 0.708 -22.463 1.00 0.00 C ATOM 1173 CD GLU A 70 2.504 0.922 -23.706 1.00 0.00 C ATOM 1174 OE1 GLU A 70 2.336 0.154 -24.677 1.00 0.00 O ATOM 1175 OE2 GLU A 70 3.332 1.858 -23.710 1.00 0.00 O ATOM 0 H GLU A 70 0.577 0.274 -20.383 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.097 2.757 -21.403 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.349 0.142 -22.917 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.115 1.710 -23.547 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.061 1.318 -21.651 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.745 -0.333 -22.149 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.647 0.731 -21.183 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.091 0.668 -21.302 1.00 0.00 C ATOM 1184 C GLY A 71 -4.794 1.453 -20.212 1.00 0.00 C ATOM 1185 O GLY A 71 -5.902 1.951 -20.411 1.00 0.00 O ATOM 0 H GLY A 71 -2.220 -0.068 -20.714 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.390 1.055 -22.276 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.411 -0.373 -21.261 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.146 1.564 -19.057 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.715 2.294 -17.930 1.00 0.00 C ATOM 1191 C LEU A 72 -4.748 3.792 -18.216 1.00 0.00 C ATOM 1192 O LEU A 72 -5.705 4.481 -17.861 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.910 2.019 -16.658 1.00 0.00 C ATOM 1194 CG LEU A 72 -4.112 0.627 -16.056 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -3.004 0.307 -15.064 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.474 0.531 -15.385 1.00 0.00 C ATOM 0 H LEU A 72 -3.228 1.158 -18.877 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.738 1.949 -17.782 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.851 2.153 -16.880 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.176 2.765 -15.909 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.072 -0.106 -16.862 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.165 -0.687 -14.647 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.041 0.335 -15.573 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.011 1.043 -14.260 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.602 -0.465 -14.962 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.541 1.274 -14.590 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.256 0.716 -16.121 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.700 4.293 -18.864 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.619 5.709 -19.200 1.00 0.00 C ATOM 1210 C ILE A 73 -4.798 6.126 -20.073 1.00 0.00 C ATOM 1211 O ILE A 73 -5.350 7.215 -19.913 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.303 6.042 -19.932 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.104 5.552 -19.118 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.201 7.540 -20.187 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.232 5.895 -19.739 1.00 0.00 C ATOM 0 H ILE A 73 -2.898 3.740 -19.166 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.647 6.263 -18.262 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.300 5.529 -20.894 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.153 5.985 -18.119 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.173 4.471 -19.000 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.267 7.758 -20.704 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.041 7.862 -20.803 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.223 8.073 -19.237 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.035 5.516 -19.107 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.302 5.439 -20.727 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.323 6.977 -19.832 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.180 5.250 -20.996 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.295 5.520 -21.894 1.00 0.00 C ATOM 1229 C GLU A 74 -7.631 5.378 -21.168 1.00 0.00 C ATOM 1230 O GLU A 74 -8.642 5.937 -21.594 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.252 4.572 -23.094 1.00 0.00 C ATOM 1232 CG GLU A 74 -7.031 5.077 -24.297 1.00 0.00 C ATOM 1233 CD GLU A 74 -8.527 4.884 -24.147 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -8.976 3.718 -24.133 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -9.248 5.898 -24.042 1.00 0.00 O ATOM 0 H GLU A 74 -4.732 4.345 -21.141 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.202 6.547 -22.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.213 4.414 -23.385 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.650 3.602 -22.795 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.818 6.136 -24.444 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.689 4.556 -25.191 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.630 4.625 -20.069 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.844 4.413 -19.289 1.00 0.00 C ATOM 1244 C ARG A 75 -8.976 5.446 -18.170 1.00 0.00 C ATOM 1245 O ARG A 75 -9.748 5.257 -17.229 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.852 3.003 -18.696 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.219 1.923 -19.701 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.436 0.642 -19.459 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.293 -0.445 -18.993 1.00 0.00 N ATOM 1250 CZ ARG A 75 -10.071 -1.171 -19.794 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -10.104 -0.927 -21.097 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -10.817 -2.144 -19.288 1.00 0.00 N ATOM 0 H ARG A 75 -6.804 4.154 -19.701 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.695 4.529 -19.961 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.866 2.785 -18.285 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.558 2.971 -17.866 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.287 1.714 -19.638 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.024 2.284 -20.711 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.939 0.341 -20.381 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.655 0.829 -18.722 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.296 -0.661 -17.996 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.532 -0.180 -21.491 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.702 -1.486 -21.706 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.795 -2.336 -18.286 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.413 -2.701 -19.900 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.225 6.539 -18.276 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.269 7.596 -17.273 1.00 0.00 C ATOM 1268 C GLU A 76 -7.830 7.076 -15.905 1.00 0.00 C ATOM 1269 O GLU A 76 -8.321 7.532 -14.872 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.681 8.183 -17.182 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.736 9.678 -17.452 1.00 0.00 C ATOM 1272 CD GLU A 76 -10.874 10.360 -16.719 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -12.043 9.995 -16.966 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -10.597 11.261 -15.899 1.00 0.00 O ATOM 0 H GLU A 76 -7.580 6.715 -19.046 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.575 8.379 -17.579 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.326 7.669 -17.895 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.084 7.986 -16.189 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.792 10.133 -17.153 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.846 9.846 -18.523 1.00 0.00 H new ATOM 1281 N TYR A 77 -6.903 6.125 -15.907 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.399 5.549 -14.664 1.00 0.00 C ATOM 1283 C TYR A 77 -5.035 6.133 -14.312 1.00 0.00 C ATOM 1284 O TYR A 77 -4.832 6.641 -13.209 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.302 4.027 -14.781 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.560 3.304 -14.356 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.007 3.362 -13.042 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.301 2.563 -15.268 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -9.156 2.702 -12.649 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.452 1.901 -14.884 1.00 0.00 C ATOM 1291 CZ TYR A 77 -9.875 1.973 -13.574 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.019 1.316 -13.188 1.00 0.00 O ATOM 0 H TYR A 77 -6.485 5.737 -16.753 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.100 5.798 -13.867 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.074 3.765 -15.814 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.469 3.677 -14.172 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.447 3.932 -12.315 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.972 2.503 -16.295 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.489 2.757 -11.623 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.017 1.330 -15.606 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.406 0.851 -13.959 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.102 6.056 -15.256 1.00 0.00 N ATOM 1303 CA LEU A 78 -2.757 6.579 -15.047 1.00 0.00 C ATOM 1304 C LEU A 78 -2.422 7.650 -16.079 1.00 0.00 C ATOM 1305 O LEU A 78 -3.255 8.001 -16.915 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.729 5.446 -15.117 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.073 4.204 -14.292 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -0.921 3.209 -14.320 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.412 4.592 -12.860 1.00 0.00 C ATOM 0 H LEU A 78 -4.253 5.636 -16.173 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.721 7.032 -14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.609 5.149 -16.159 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.765 5.830 -14.782 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.948 3.728 -14.734 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.183 2.332 -13.728 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.726 2.907 -15.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.028 3.674 -13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.654 3.696 -12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.556 5.092 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.269 5.266 -12.859 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.198 8.166 -16.016 1.00 0.00 N ATOM 1322 CA ALA A 79 -0.755 9.197 -16.945 1.00 0.00 C ATOM 1323 C ALA A 79 0.707 9.560 -16.707 1.00 0.00 C ATOM 1324 O ALA A 79 1.157 9.645 -15.564 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.633 10.434 -16.822 1.00 0.00 C ATOM 0 H ALA A 79 -0.496 7.886 -15.331 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.845 8.800 -17.956 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.289 11.195 -17.522 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.666 10.171 -17.050 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.573 10.823 -15.805 1.00 0.00 H new ATOM 1331 N ARG A 80 1.444 9.775 -17.792 1.00 0.00 N ATOM 1332 CA ARG A 80 2.855 10.129 -17.699 1.00 0.00 C ATOM 1333 C ARG A 80 3.022 11.561 -17.200 1.00 0.00 C ATOM 1334 O ARG A 80 2.090 12.362 -17.257 1.00 0.00 O ATOM 1335 CB ARG A 80 3.533 9.969 -19.061 1.00 0.00 C ATOM 1336 CG ARG A 80 3.701 8.522 -19.491 1.00 0.00 C ATOM 1337 CD ARG A 80 4.157 8.419 -20.938 1.00 0.00 C ATOM 1338 NE ARG A 80 3.044 8.557 -21.874 1.00 0.00 N ATOM 1339 CZ ARG A 80 3.190 8.858 -23.161 1.00 0.00 C ATOM 1340 NH1 ARG A 80 4.400 9.054 -23.671 1.00 0.00 N ATOM 1341 NH2 ARG A 80 2.124 8.963 -23.943 1.00 0.00 N ATOM 0 H ARG A 80 1.087 9.710 -18.745 1.00 0.00 H new ATOM 0 HA ARG A 80 3.328 9.455 -16.985 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.947 10.497 -19.813 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.513 10.445 -19.028 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.428 8.031 -18.844 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.756 7.993 -19.368 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.899 9.192 -21.140 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.647 7.458 -21.096 1.00 0.00 H new ATOM 0 HE ARG A 80 2.098 8.414 -21.519 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.224 8.974 -23.075 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.506 9.285 -24.659 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.192 8.813 -23.557 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.236 9.194 -24.930 1.00 0.00 H new ATOM 1355 N THR A 81 4.216 11.876 -16.709 1.00 0.00 N ATOM 1356 CA THR A 81 4.504 13.212 -16.199 1.00 0.00 C ATOM 1357 C THR A 81 4.622 14.219 -17.341 1.00 0.00 C ATOM 1358 O THR A 81 4.982 13.858 -18.462 1.00 0.00 O ATOM 1359 CB THR A 81 5.793 13.202 -15.377 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.804 12.465 -16.040 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.619 12.603 -13.998 1.00 0.00 C ATOM 0 H THR A 81 4.999 11.225 -16.653 1.00 0.00 H new ATOM 0 HA THR A 81 3.676 13.513 -15.558 1.00 0.00 H new ATOM 0 HB THR A 81 6.074 14.249 -15.268 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.577 12.379 -16.989 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.571 12.627 -13.468 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.880 13.179 -13.442 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.281 11.571 -14.090 1.00 0.00 H new ATOM 1369 N PRO A 82 4.314 15.498 -17.069 1.00 0.00 N ATOM 1370 CA PRO A 82 4.382 16.560 -18.080 1.00 0.00 C ATOM 1371 C PRO A 82 5.746 16.639 -18.759 1.00 0.00 C ATOM 1372 O PRO A 82 5.860 17.127 -19.884 1.00 0.00 O ATOM 1373 CB PRO A 82 4.115 17.837 -17.277 1.00 0.00 C ATOM 1374 CG PRO A 82 3.354 17.382 -16.080 1.00 0.00 C ATOM 1375 CD PRO A 82 3.872 16.009 -15.759 1.00 0.00 C ATOM 0 HA PRO A 82 3.672 16.389 -18.889 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.046 18.326 -16.991 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.542 18.558 -17.860 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.503 18.062 -15.241 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.284 17.358 -16.284 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.694 16.046 -15.044 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.097 15.379 -15.322 1.00 0.00 H new ATOM 1383 N GLU A 83 6.781 16.164 -18.072 1.00 0.00 N ATOM 1384 CA GLU A 83 8.133 16.192 -18.619 1.00 0.00 C ATOM 1385 C GLU A 83 8.839 14.853 -18.422 1.00 0.00 C ATOM 1386 O GLU A 83 9.996 14.806 -18.004 1.00 0.00 O ATOM 1387 CB GLU A 83 8.945 17.312 -17.964 1.00 0.00 C ATOM 1388 CG GLU A 83 8.771 18.664 -18.638 1.00 0.00 C ATOM 1389 CD GLU A 83 8.521 19.784 -17.647 1.00 0.00 C ATOM 1390 OE1 GLU A 83 9.157 19.777 -16.571 1.00 0.00 O ATOM 1391 OE2 GLU A 83 7.690 20.666 -17.945 1.00 0.00 O ATOM 0 H GLU A 83 6.710 15.757 -17.140 1.00 0.00 H new ATOM 0 HA GLU A 83 8.057 16.381 -19.690 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.653 17.397 -16.917 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.001 17.041 -17.979 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.663 18.892 -19.221 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.938 18.612 -19.339 1.00 0.00 H new ATOM 1398 N ASP A 84 8.139 13.765 -18.730 1.00 0.00 N ATOM 1399 CA ASP A 84 8.701 12.424 -18.591 1.00 0.00 C ATOM 1400 C ASP A 84 7.648 11.360 -18.879 1.00 0.00 C ATOM 1401 O ASP A 84 6.455 11.579 -18.669 1.00 0.00 O ATOM 1402 CB ASP A 84 9.276 12.226 -17.184 1.00 0.00 C ATOM 1403 CG ASP A 84 10.732 11.805 -17.207 1.00 0.00 C ATOM 1404 OD1 ASP A 84 11.443 12.176 -18.165 1.00 0.00 O ATOM 1405 OD2 ASP A 84 11.163 11.104 -16.268 1.00 0.00 O ATOM 0 H ASP A 84 7.180 13.785 -19.078 1.00 0.00 H new ATOM 0 HA ASP A 84 9.505 12.320 -19.319 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.178 13.154 -16.621 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.691 11.471 -16.659 1.00 0.00 H new ATOM 1410 N ARG A 85 8.097 10.204 -19.360 1.00 0.00 N ATOM 1411 CA ARG A 85 7.193 9.104 -19.675 1.00 0.00 C ATOM 1412 C ARG A 85 7.409 7.933 -18.721 1.00 0.00 C ATOM 1413 O ARG A 85 6.468 7.212 -18.384 1.00 0.00 O ATOM 1414 CB ARG A 85 7.395 8.644 -21.119 1.00 0.00 C ATOM 1415 CG ARG A 85 8.852 8.412 -21.486 1.00 0.00 C ATOM 1416 CD ARG A 85 9.013 7.204 -22.394 1.00 0.00 C ATOM 1417 NE ARG A 85 10.046 7.413 -23.406 1.00 0.00 N ATOM 1418 CZ ARG A 85 10.628 6.428 -24.087 1.00 0.00 C ATOM 1419 NH1 ARG A 85 10.285 5.165 -23.865 1.00 0.00 N ATOM 1420 NH2 ARG A 85 11.557 6.706 -24.991 1.00 0.00 N ATOM 0 H ARG A 85 9.081 10.006 -19.540 1.00 0.00 H new ATOM 0 HA ARG A 85 6.171 9.463 -19.557 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.837 7.721 -21.279 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.974 9.391 -21.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.248 9.297 -21.983 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.438 8.267 -20.578 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.266 6.330 -21.793 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.063 6.990 -22.884 1.00 0.00 H new ATOM 0 HE ARG A 85 10.339 8.370 -23.602 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.572 4.945 -23.170 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.734 4.415 -24.390 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.826 7.674 -25.165 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.003 5.951 -25.513 1.00 0.00 H new ATOM 1434 N LYS A 86 8.651 7.748 -18.289 1.00 0.00 N ATOM 1435 CA LYS A 86 8.990 6.663 -17.374 1.00 0.00 C ATOM 1436 C LYS A 86 8.213 6.793 -16.066 1.00 0.00 C ATOM 1437 O LYS A 86 7.969 5.802 -15.378 1.00 0.00 O ATOM 1438 CB LYS A 86 10.495 6.658 -17.093 1.00 0.00 C ATOM 1439 CG LYS A 86 11.250 5.571 -17.841 1.00 0.00 C ATOM 1440 CD LYS A 86 12.749 5.831 -17.842 1.00 0.00 C ATOM 1441 CE LYS A 86 13.304 5.901 -19.256 1.00 0.00 C ATOM 1442 NZ LYS A 86 13.351 4.560 -19.903 1.00 0.00 N ATOM 0 H LYS A 86 9.441 8.335 -18.557 1.00 0.00 H new ATOM 0 HA LYS A 86 8.714 5.720 -17.846 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.910 7.629 -17.364 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.656 6.530 -16.023 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.048 4.604 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.889 5.517 -18.868 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.957 6.766 -17.322 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.256 5.040 -17.290 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.687 6.571 -19.855 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.307 6.327 -19.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.735 4.652 -20.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.960 3.927 -19.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.391 4.164 -19.950 1.00 0.00 H new ATOM 1456 N VAL A 87 7.827 8.020 -15.729 1.00 0.00 N ATOM 1457 CA VAL A 87 7.079 8.276 -14.504 1.00 0.00 C ATOM 1458 C VAL A 87 5.580 8.328 -14.775 1.00 0.00 C ATOM 1459 O VAL A 87 5.130 8.998 -15.706 1.00 0.00 O ATOM 1460 CB VAL A 87 7.515 9.598 -13.845 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.880 9.746 -12.471 1.00 0.00 C ATOM 1462 CG2 VAL A 87 9.031 9.674 -13.751 1.00 0.00 C ATOM 0 H VAL A 87 8.020 8.852 -16.287 1.00 0.00 H new ATOM 0 HA VAL A 87 7.295 7.451 -13.825 1.00 0.00 H new ATOM 0 HB VAL A 87 7.171 10.423 -14.469 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.200 10.686 -12.022 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.794 9.742 -12.570 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.190 8.916 -11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.320 10.615 -13.283 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.401 8.842 -13.152 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.461 9.620 -14.751 1.00 0.00 H new ATOM 1472 N TYR A 88 4.811 7.617 -13.958 1.00 0.00 N ATOM 1473 CA TYR A 88 3.361 7.582 -14.108 1.00 0.00 C ATOM 1474 C TYR A 88 2.674 8.250 -12.922 1.00 0.00 C ATOM 1475 O TYR A 88 3.275 8.424 -11.862 1.00 0.00 O ATOM 1476 CB TYR A 88 2.876 6.138 -14.248 1.00 0.00 C ATOM 1477 CG TYR A 88 3.532 5.385 -15.383 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.399 5.818 -16.696 1.00 0.00 C ATOM 1479 CD2 TYR A 88 4.284 4.242 -15.141 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.997 5.133 -17.736 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.886 3.552 -16.176 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.738 4.001 -17.472 1.00 0.00 C ATOM 1483 OH TYR A 88 5.335 3.316 -18.505 1.00 0.00 O ATOM 0 H TYR A 88 5.168 7.057 -13.184 1.00 0.00 H new ATOM 0 HA TYR A 88 3.101 8.134 -15.012 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.065 5.608 -13.314 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.797 6.139 -14.400 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.819 6.704 -16.907 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.400 3.887 -14.128 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.884 5.483 -18.752 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.469 2.666 -15.971 1.00 0.00 H new ATOM 0 HH TYR A 88 6.141 2.865 -18.176 1.00 0.00 H new ATOM 1493 N THR A 89 1.411 8.621 -13.108 1.00 0.00 N ATOM 1494 CA THR A 89 0.642 9.270 -12.052 1.00 0.00 C ATOM 1495 C THR A 89 -0.817 8.824 -12.088 1.00 0.00 C ATOM 1496 O THR A 89 -1.424 8.743 -13.155 1.00 0.00 O ATOM 1497 CB THR A 89 0.727 10.791 -12.190 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.588 11.179 -13.545 1.00 0.00 O ATOM 1499 CG2 THR A 89 2.028 11.368 -11.677 1.00 0.00 C ATOM 0 H THR A 89 0.899 8.483 -13.979 1.00 0.00 H new ATOM 0 HA THR A 89 1.069 8.976 -11.093 1.00 0.00 H new ATOM 0 HB THR A 89 -0.088 11.182 -11.581 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.140 10.599 -14.110 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.022 12.450 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.140 11.128 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.861 10.941 -12.236 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.371 8.535 -10.916 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.758 8.097 -10.813 1.00 0.00 C ATOM 1509 C TYR A 90 -3.716 9.261 -11.044 1.00 0.00 C ATOM 1510 O TYR A 90 -3.970 10.056 -10.140 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.017 7.473 -9.441 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.307 6.688 -9.365 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.515 5.577 -10.173 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.316 7.057 -8.484 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.692 4.856 -10.107 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.495 6.341 -8.411 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.679 5.242 -9.225 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.852 4.527 -9.154 1.00 0.00 O ATOM 0 H TYR A 90 -0.881 8.596 -10.024 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.934 7.348 -11.585 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.186 6.815 -9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.038 8.263 -8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.744 5.272 -10.864 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.176 7.917 -7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.838 3.995 -10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.269 6.640 -7.720 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.441 4.930 -8.482 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.245 9.354 -12.260 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.175 10.422 -12.608 1.00 0.00 C ATOM 1530 C VAL A 91 -6.589 9.878 -12.801 1.00 0.00 C ATOM 1531 O VAL A 91 -7.207 10.080 -13.846 1.00 0.00 O ATOM 1532 CB VAL A 91 -4.734 11.152 -13.888 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -3.496 11.995 -13.625 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -4.482 10.153 -15.002 1.00 0.00 C ATOM 0 H VAL A 91 -4.046 8.703 -13.020 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.173 11.129 -11.779 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.536 11.821 -14.201 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.200 12.503 -14.543 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.716 12.735 -12.855 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.683 11.352 -13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.171 10.683 -15.902 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.697 9.460 -14.699 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.397 9.597 -15.206 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.094 9.189 -11.783 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.434 8.618 -11.838 1.00 0.00 C ATOM 1546 C ALA A 92 -9.446 9.524 -11.148 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.444 7.234 -11.205 1.00 0.00 C ATOM 0 H ALA A 92 -6.596 9.013 -10.911 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.721 8.529 -12.886 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.451 6.819 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.757 6.582 -11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.131 7.308 -10.163 1.00 0.00 H new