USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 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 57 MET CE :methyl -108:sc= -4.95! (180deg=-4.21!) USER MOD Set 1.2: A 81 MET CE :methyl 156:sc= -7.32! (180deg=-6.1!) USER MOD Set 1.3: A 96 CYS SG : rot -24:sc= -7.19! USER MOD Set 2.1: A 41 SER OG : rot 64:sc= 1.11 USER MOD Set 2.2: A 83 TYR OH : rot 150:sc= -0.516! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 40:sc= 0.477 USER MOD Single : A 40 MET CE :methyl 147:sc= -1.54 (180deg=-2.81!) USER MOD Single : A 47 THR OG1 : rot -74:sc= 0.424 USER MOD Single : A 48 TYR OH : rot 106:sc= 0.692 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-1.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= 0.105 (180deg=0) USER MOD Single : A 78 MET CE :methyl -150:sc= -14! (180deg=-15.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 57:sc= 0.831 USER MOD Single : A 93 SER OG : rot 180:sc= -1.06 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.3!) USER MOD Single : A 97 LYS NZ :NH3+ 151:sc= -0.0102 (180deg=-0.813) USER MOD Single : A 99 ASN : amide:sc= -0.572 X(o=-0.57,f=-1) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.6) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.978 K(o=-0.98,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.904 -6.058 -6.419 1.00 0.00 N ATOM 356 CA GLU A 19 128.479 -6.452 -6.617 1.00 0.00 C ATOM 357 C GLU A 19 127.605 -5.877 -5.498 1.00 0.00 C ATOM 358 O GLU A 19 126.494 -6.315 -5.279 1.00 0.00 O ATOM 359 CB GLU A 19 128.479 -7.980 -6.565 1.00 0.00 C ATOM 360 CG GLU A 19 128.991 -8.537 -7.895 1.00 0.00 C ATOM 361 CD GLU A 19 129.369 -10.009 -7.722 1.00 0.00 C ATOM 362 OE1 GLU A 19 128.514 -10.776 -7.308 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.507 -10.346 -8.006 1.00 0.00 O ATOM 0 HA GLU A 19 128.076 -6.075 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.110 -8.326 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.472 -8.348 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 19 128.224 -8.436 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.856 -7.966 -8.231 1.00 0.00 H new ATOM 370 N ALA A 20 128.098 -4.898 -4.788 1.00 0.00 N ATOM 371 CA ALA A 20 127.289 -4.300 -3.686 1.00 0.00 C ATOM 372 C ALA A 20 126.083 -3.552 -4.263 1.00 0.00 C ATOM 373 O ALA A 20 124.960 -3.750 -3.843 1.00 0.00 O ATOM 374 CB ALA A 20 128.234 -3.328 -2.979 1.00 0.00 C ATOM 0 H ALA A 20 129.022 -4.488 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 20 126.899 -5.056 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.710 -2.847 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.095 -3.873 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.571 -2.570 -3.686 1.00 0.00 H new ATOM 380 N GLU A 21 126.305 -2.697 -5.225 1.00 0.00 N ATOM 381 CA GLU A 21 125.167 -1.941 -5.826 1.00 0.00 C ATOM 382 C GLU A 21 124.031 -2.899 -6.193 1.00 0.00 C ATOM 383 O GLU A 21 122.872 -2.536 -6.183 1.00 0.00 O ATOM 384 CB GLU A 21 125.744 -1.286 -7.081 1.00 0.00 C ATOM 385 CG GLU A 21 126.235 -2.368 -8.045 1.00 0.00 C ATOM 386 CD GLU A 21 126.626 -1.725 -9.376 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.207 -0.652 -9.346 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.340 -2.317 -10.404 1.00 0.00 O ATOM 0 H GLU A 21 127.222 -2.489 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 21 124.751 -1.205 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 21 124.985 -0.671 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.567 -0.624 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.090 -2.891 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.453 -3.111 -8.203 1.00 0.00 H new ATOM 395 N ILE A 22 124.354 -4.122 -6.516 1.00 0.00 N ATOM 396 CA ILE A 22 123.290 -5.101 -6.881 1.00 0.00 C ATOM 397 C ILE A 22 122.545 -5.558 -5.624 1.00 0.00 C ATOM 398 O ILE A 22 121.340 -5.715 -5.628 1.00 0.00 O ATOM 399 CB ILE A 22 124.031 -6.274 -7.523 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.917 -5.755 -8.658 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.019 -7.273 -8.085 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.730 -6.911 -9.242 1.00 0.00 C ATOM 0 H ILE A 22 125.307 -4.485 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 22 122.547 -4.674 -7.555 1.00 0.00 H new ATOM 0 HB ILE A 22 124.649 -6.767 -6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.302 -5.301 -9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.585 -4.979 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.548 -8.109 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.386 -7.642 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.400 -6.781 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.361 -6.541 -10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.356 -7.345 -8.463 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.053 -7.672 -9.630 1.00 0.00 H new ATOM 414 N LYS A 23 123.254 -5.770 -4.550 1.00 0.00 N ATOM 415 CA LYS A 23 122.588 -6.212 -3.292 1.00 0.00 C ATOM 416 C LYS A 23 121.764 -5.065 -2.703 1.00 0.00 C ATOM 417 O LYS A 23 120.822 -5.279 -1.966 1.00 0.00 O ATOM 418 CB LYS A 23 123.732 -6.592 -2.352 1.00 0.00 C ATOM 419 CG LYS A 23 124.379 -7.892 -2.835 1.00 0.00 C ATOM 420 CD LYS A 23 125.687 -8.126 -2.077 1.00 0.00 C ATOM 421 CE LYS A 23 125.975 -9.628 -2.005 1.00 0.00 C ATOM 422 NZ LYS A 23 127.113 -9.846 -2.941 1.00 0.00 N ATOM 0 H LYS A 23 124.266 -5.656 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 23 121.903 -7.044 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.473 -5.793 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.356 -6.716 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 23 123.700 -8.729 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 23 124.572 -7.838 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 23 126.507 -7.612 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 125.616 -7.710 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 23 126.234 -9.932 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 23 125.103 -10.212 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 127.369 -10.854 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 126.835 -9.554 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 127.930 -9.283 -2.631 1.00 0.00 H new ATOM 436 N VAL A 24 122.109 -3.848 -3.025 1.00 0.00 N ATOM 437 CA VAL A 24 121.343 -2.689 -2.485 1.00 0.00 C ATOM 438 C VAL A 24 120.050 -2.493 -3.283 1.00 0.00 C ATOM 439 O VAL A 24 119.033 -2.097 -2.749 1.00 0.00 O ATOM 440 CB VAL A 24 122.268 -1.485 -2.661 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.522 -0.206 -2.279 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.493 -1.646 -1.757 1.00 0.00 C ATOM 0 H VAL A 24 122.888 -3.606 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 24 121.056 -2.833 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 24 122.587 -1.424 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.183 0.652 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.649 -0.089 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.202 -0.268 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.153 -0.788 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.172 -1.708 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.027 -2.557 -2.027 1.00 0.00 H new ATOM 452 N ARG A 25 120.083 -2.769 -4.559 1.00 0.00 N ATOM 453 CA ARG A 25 118.856 -2.598 -5.391 1.00 0.00 C ATOM 454 C ARG A 25 117.787 -3.608 -4.972 1.00 0.00 C ATOM 455 O ARG A 25 116.615 -3.295 -4.902 1.00 0.00 O ATOM 456 CB ARG A 25 119.313 -2.863 -6.826 1.00 0.00 C ATOM 457 CG ARG A 25 118.772 -1.766 -7.745 1.00 0.00 C ATOM 458 CD ARG A 25 119.838 -1.394 -8.778 1.00 0.00 C ATOM 459 NE ARG A 25 119.339 -0.142 -9.412 1.00 0.00 N ATOM 460 CZ ARG A 25 119.276 -0.049 -10.712 1.00 0.00 C ATOM 461 NH1 ARG A 25 118.732 -1.008 -11.410 1.00 0.00 N ATOM 462 NH2 ARG A 25 119.757 1.005 -11.315 1.00 0.00 N ATOM 0 H ARG A 25 120.905 -3.105 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 25 118.415 -1.607 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.402 -2.888 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 25 118.957 -3.838 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.868 -2.111 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.496 -0.889 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 25 120.808 -1.238 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.966 -2.186 -9.516 1.00 0.00 H new ATOM 0 HE ARG A 25 119.046 0.643 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.356 -1.831 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 25 118.683 -0.935 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.182 1.755 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 25 119.708 1.078 -12.331 1.00 0.00 H new ATOM 476 N GLU A 26 118.183 -4.817 -4.693 1.00 0.00 N ATOM 477 CA GLU A 26 117.193 -5.851 -4.277 1.00 0.00 C ATOM 478 C GLU A 26 116.731 -5.592 -2.841 1.00 0.00 C ATOM 479 O GLU A 26 115.559 -5.666 -2.532 1.00 0.00 O ATOM 480 CB GLU A 26 117.943 -7.180 -4.368 1.00 0.00 C ATOM 481 CG GLU A 26 117.292 -8.064 -5.434 1.00 0.00 C ATOM 482 CD GLU A 26 118.148 -8.049 -6.703 1.00 0.00 C ATOM 483 OE1 GLU A 26 119.029 -8.886 -6.810 1.00 0.00 O ATOM 484 OE2 GLU A 26 117.906 -7.201 -7.546 1.00 0.00 O ATOM 0 H GLU A 26 119.151 -5.136 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 26 116.301 -5.844 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.989 -7.003 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 26 117.927 -7.685 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.190 -9.084 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.287 -7.704 -5.656 1.00 0.00 H new ATOM 491 N ALA A 27 117.645 -5.287 -1.961 1.00 0.00 N ATOM 492 CA ALA A 27 117.260 -5.024 -0.546 1.00 0.00 C ATOM 493 C ALA A 27 116.231 -3.892 -0.482 1.00 0.00 C ATOM 494 O ALA A 27 115.506 -3.752 0.484 1.00 0.00 O ATOM 495 CB ALA A 27 118.558 -4.610 0.147 1.00 0.00 C ATOM 0 H ALA A 27 118.642 -5.209 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 27 116.806 -5.894 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.358 -4.398 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.285 -5.419 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.958 -3.717 -0.333 1.00 0.00 H new ATOM 501 N THR A 28 116.158 -3.085 -1.505 1.00 0.00 N ATOM 502 CA THR A 28 115.175 -1.964 -1.504 1.00 0.00 C ATOM 503 C THR A 28 113.874 -2.405 -2.181 1.00 0.00 C ATOM 504 O THR A 28 112.929 -2.804 -1.530 1.00 0.00 O ATOM 505 CB THR A 28 115.847 -0.848 -2.304 1.00 0.00 C ATOM 506 OG1 THR A 28 116.544 -1.415 -3.406 1.00 0.00 O ATOM 507 CG2 THR A 28 116.831 -0.095 -1.408 1.00 0.00 C ATOM 0 H THR A 28 116.737 -3.153 -2.342 1.00 0.00 H new ATOM 0 HA THR A 28 114.915 -1.641 -0.496 1.00 0.00 H new ATOM 0 HB THR A 28 115.090 -0.154 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 28 116.010 -2.139 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.309 0.700 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.296 0.338 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.591 -0.785 -1.041 1.00 0.00 H new ATOM 644 N LEU A 39 120.446 -10.611 3.000 1.00 0.00 N ATOM 645 CA LEU A 39 121.033 -9.674 2.000 1.00 0.00 C ATOM 646 C LEU A 39 121.561 -8.417 2.695 1.00 0.00 C ATOM 647 O LEU A 39 122.559 -7.849 2.298 1.00 0.00 O ATOM 648 CB LEU A 39 119.880 -9.322 1.061 1.00 0.00 C ATOM 649 CG LEU A 39 120.357 -8.300 0.028 1.00 0.00 C ATOM 650 CD1 LEU A 39 121.100 -9.022 -1.097 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.151 -7.559 -0.551 1.00 0.00 C ATOM 0 HA LEU A 39 121.874 -10.117 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.518 -10.220 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.044 -8.916 1.631 1.00 0.00 H new ATOM 0 HG LEU A 39 121.027 -7.585 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 39 121.440 -8.294 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.960 -9.550 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 39 120.430 -9.737 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.491 -6.831 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.481 -8.273 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 118.621 -7.045 0.251 1.00 0.00 H new ATOM 663 N MET A 40 120.899 -7.975 3.729 1.00 0.00 N ATOM 664 CA MET A 40 121.364 -6.752 4.445 1.00 0.00 C ATOM 665 C MET A 40 122.748 -6.988 5.057 1.00 0.00 C ATOM 666 O MET A 40 123.618 -6.141 4.996 1.00 0.00 O ATOM 667 CB MET A 40 120.326 -6.516 5.542 1.00 0.00 C ATOM 668 CG MET A 40 118.974 -6.196 4.902 1.00 0.00 C ATOM 669 SD MET A 40 117.687 -7.207 5.676 1.00 0.00 S ATOM 670 CE MET A 40 116.461 -5.892 5.884 1.00 0.00 C ATOM 0 H MET A 40 120.057 -8.407 4.109 1.00 0.00 H new ATOM 0 HA MET A 40 121.455 -5.894 3.778 1.00 0.00 H new ATOM 0 HB2 MET A 40 120.241 -7.400 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.640 -5.694 6.185 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.743 -5.138 5.024 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.011 -6.393 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.459 -6.309 5.780 1.00 0.00 H new ATOM 0 HE2 MET A 40 116.568 -5.448 6.874 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.616 -5.126 5.124 1.00 0.00 H new ATOM 680 N SER A 41 122.961 -8.133 5.648 1.00 0.00 N ATOM 681 CA SER A 41 124.290 -8.418 6.263 1.00 0.00 C ATOM 682 C SER A 41 125.384 -8.391 5.193 1.00 0.00 C ATOM 683 O SER A 41 126.506 -8.001 5.448 1.00 0.00 O ATOM 684 CB SER A 41 124.160 -9.818 6.862 1.00 0.00 C ATOM 685 OG SER A 41 124.850 -9.863 8.103 1.00 0.00 O ATOM 0 H SER A 41 122.274 -8.882 5.732 1.00 0.00 H new ATOM 0 HA SER A 41 124.563 -7.678 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.109 -10.068 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.572 -10.559 6.177 1.00 0.00 H new ATOM 0 HG SER A 41 124.425 -9.247 8.736 1.00 0.00 H new ATOM 691 N GLU A 42 125.067 -8.801 3.996 1.00 0.00 N ATOM 692 CA GLU A 42 126.091 -8.797 2.913 1.00 0.00 C ATOM 693 C GLU A 42 126.367 -7.362 2.459 1.00 0.00 C ATOM 694 O GLU A 42 127.501 -6.964 2.277 1.00 0.00 O ATOM 695 CB GLU A 42 125.471 -9.612 1.777 1.00 0.00 C ATOM 696 CG GLU A 42 126.080 -11.016 1.763 1.00 0.00 C ATOM 697 CD GLU A 42 124.966 -12.057 1.885 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.435 -12.451 0.859 1.00 0.00 O ATOM 699 OE2 GLU A 42 124.664 -12.444 3.002 1.00 0.00 O ATOM 0 H GLU A 42 124.145 -9.138 3.721 1.00 0.00 H new ATOM 0 HA GLU A 42 127.043 -9.217 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.391 -9.674 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.649 -9.118 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.639 -11.172 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 42 126.786 -11.126 2.586 1.00 0.00 H new ATOM 706 N ILE A 43 125.339 -6.579 2.279 1.00 0.00 N ATOM 707 CA ILE A 43 125.544 -5.169 1.841 1.00 0.00 C ATOM 708 C ILE A 43 126.401 -4.421 2.866 1.00 0.00 C ATOM 709 O ILE A 43 127.156 -3.532 2.527 1.00 0.00 O ATOM 710 CB ILE A 43 124.140 -4.570 1.765 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.361 -5.250 0.637 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.240 -3.070 1.483 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.915 -4.751 0.640 1.00 0.00 C ATOM 0 H ILE A 43 124.366 -6.854 2.416 1.00 0.00 H new ATOM 0 HA ILE A 43 126.063 -5.100 0.885 1.00 0.00 H new ATOM 0 HB ILE A 43 123.624 -4.727 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.829 -5.034 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.383 -6.332 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.239 -2.642 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.798 -2.586 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.754 -2.911 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.361 -5.236 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.450 -4.989 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.902 -3.672 0.489 1.00 0.00 H new ATOM 725 N ALA A 44 126.298 -4.781 4.116 1.00 0.00 N ATOM 726 CA ALA A 44 127.116 -4.098 5.158 1.00 0.00 C ATOM 727 C ALA A 44 128.577 -4.535 5.029 1.00 0.00 C ATOM 728 O ALA A 44 129.476 -3.720 4.916 1.00 0.00 O ATOM 729 CB ALA A 44 126.523 -4.554 6.491 1.00 0.00 C ATOM 0 H ALA A 44 125.683 -5.518 4.461 1.00 0.00 H new ATOM 0 HA ALA A 44 127.097 -3.012 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 44 127.073 -4.092 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.476 -4.257 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.597 -5.639 6.570 1.00 0.00 H new ATOM 735 N ASP A 45 128.826 -5.815 5.019 1.00 0.00 N ATOM 736 CA ASP A 45 130.229 -6.281 4.868 1.00 0.00 C ATOM 737 C ASP A 45 130.844 -5.595 3.649 1.00 0.00 C ATOM 738 O ASP A 45 132.047 -5.468 3.530 1.00 0.00 O ATOM 739 CB ASP A 45 130.133 -7.792 4.649 1.00 0.00 C ATOM 740 CG ASP A 45 131.529 -8.357 4.382 1.00 0.00 C ATOM 741 OD1 ASP A 45 132.490 -7.728 4.797 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.614 -9.408 3.768 1.00 0.00 O ATOM 0 H ASP A 45 128.125 -6.551 5.108 1.00 0.00 H new ATOM 0 HA ASP A 45 130.851 -6.049 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.697 -8.271 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.475 -8.007 3.808 1.00 0.00 H new ATOM 747 N LEU A 46 130.016 -5.144 2.746 1.00 0.00 N ATOM 748 CA LEU A 46 130.530 -4.455 1.532 1.00 0.00 C ATOM 749 C LEU A 46 130.935 -3.021 1.879 1.00 0.00 C ATOM 750 O LEU A 46 131.944 -2.526 1.421 1.00 0.00 O ATOM 751 CB LEU A 46 129.361 -4.465 0.547 1.00 0.00 C ATOM 752 CG LEU A 46 129.379 -5.768 -0.253 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.093 -5.880 -1.073 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.586 -5.771 -1.193 1.00 0.00 C ATOM 0 H LEU A 46 129.001 -5.225 2.799 1.00 0.00 H new ATOM 0 HA LEU A 46 131.412 -4.943 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.418 -4.369 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.432 -3.611 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 46 129.448 -6.614 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.105 -6.809 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.233 -5.877 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 46 128.023 -5.035 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.600 -6.699 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.517 -4.925 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.503 -5.691 -0.609 1.00 0.00 H new ATOM 766 N THR A 47 130.162 -2.351 2.688 1.00 0.00 N ATOM 767 CA THR A 47 130.523 -0.951 3.058 1.00 0.00 C ATOM 768 C THR A 47 131.983 -0.905 3.508 1.00 0.00 C ATOM 769 O THR A 47 132.731 -0.020 3.144 1.00 0.00 O ATOM 770 CB THR A 47 129.604 -0.569 4.222 1.00 0.00 C ATOM 771 OG1 THR A 47 129.810 -1.466 5.303 1.00 0.00 O ATOM 772 CG2 THR A 47 128.145 -0.630 3.776 1.00 0.00 C ATOM 0 H THR A 47 129.303 -2.707 3.107 1.00 0.00 H new ATOM 0 HA THR A 47 130.405 -0.266 2.219 1.00 0.00 H new ATOM 0 HB THR A 47 129.836 0.447 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.399 -2.331 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.498 -0.357 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.987 0.065 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.907 -1.642 3.448 1.00 0.00 H new ATOM 780 N TYR A 48 132.397 -1.860 4.293 1.00 0.00 N ATOM 781 CA TYR A 48 133.814 -1.868 4.760 1.00 0.00 C ATOM 782 C TYR A 48 134.741 -1.566 3.582 1.00 0.00 C ATOM 783 O TYR A 48 135.655 -0.772 3.682 1.00 0.00 O ATOM 784 CB TYR A 48 134.056 -3.283 5.284 1.00 0.00 C ATOM 785 CG TYR A 48 133.287 -3.482 6.566 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.849 -3.096 7.789 1.00 0.00 C ATOM 787 CD2 TYR A 48 132.010 -4.053 6.532 1.00 0.00 C ATOM 788 CE1 TYR A 48 133.133 -3.280 8.978 1.00 0.00 C ATOM 789 CE2 TYR A 48 131.293 -4.238 7.719 1.00 0.00 C ATOM 790 CZ TYR A 48 131.855 -3.852 8.943 1.00 0.00 C ATOM 791 OH TYR A 48 131.150 -4.034 10.115 1.00 0.00 O ATOM 0 H TYR A 48 131.821 -2.631 4.630 1.00 0.00 H new ATOM 0 HA TYR A 48 134.006 -1.118 5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.742 -4.016 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 48 135.120 -3.441 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.835 -2.656 7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.577 -4.351 5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.566 -2.981 9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.307 -4.678 7.692 1.00 0.00 H new ATOM 0 HH TYR A 48 130.431 -3.370 10.171 1.00 0.00 H new ATOM 801 N ASN A 49 134.504 -2.195 2.465 1.00 0.00 N ATOM 802 CA ASN A 49 135.362 -1.950 1.268 1.00 0.00 C ATOM 803 C ASN A 49 135.087 -0.566 0.694 1.00 0.00 C ATOM 804 O ASN A 49 134.224 -0.382 -0.138 1.00 0.00 O ATOM 805 CB ASN A 49 134.981 -3.041 0.268 1.00 0.00 C ATOM 806 CG ASN A 49 136.164 -3.314 -0.664 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.282 -2.706 -1.710 1.00 0.00 O ATOM 808 ND2 ASN A 49 137.050 -4.210 -0.327 1.00 0.00 N ATOM 0 H ASN A 49 133.752 -2.870 2.327 1.00 0.00 H new ATOM 0 HA ASN A 49 136.424 -1.982 1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 49 134.703 -3.953 0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.112 -2.731 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 49 137.842 -4.400 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 49 136.951 -4.720 0.551 1.00 0.00 H new ATOM 815 N VAL A 50 135.863 0.381 1.141 1.00 0.00 N ATOM 816 CA VAL A 50 135.776 1.797 0.673 1.00 0.00 C ATOM 817 C VAL A 50 134.874 1.964 -0.559 1.00 0.00 C ATOM 818 O VAL A 50 133.927 2.726 -0.542 1.00 0.00 O ATOM 819 CB VAL A 50 137.229 2.163 0.328 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.932 2.669 1.587 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.991 0.932 -0.213 1.00 0.00 C ATOM 0 H VAL A 50 136.586 0.225 1.843 1.00 0.00 H new ATOM 0 HA VAL A 50 135.332 2.439 1.434 1.00 0.00 H new ATOM 0 HB VAL A 50 137.220 2.937 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.963 2.930 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.413 3.550 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.922 1.888 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 50 139.017 1.214 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.997 0.147 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.498 0.566 -1.113 1.00 0.00 H new ATOM 831 N VAL A 51 135.158 1.270 -1.627 1.00 0.00 N ATOM 832 CA VAL A 51 134.314 1.407 -2.849 1.00 0.00 C ATOM 833 C VAL A 51 132.897 0.919 -2.576 1.00 0.00 C ATOM 834 O VAL A 51 131.942 1.668 -2.637 1.00 0.00 O ATOM 835 CB VAL A 51 134.975 0.503 -3.899 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.934 0.053 -4.944 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.094 1.275 -4.598 1.00 0.00 C ATOM 0 H VAL A 51 135.936 0.615 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 51 134.245 2.445 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 51 135.385 -0.377 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.414 -0.588 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.136 -0.500 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.514 0.928 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.566 0.636 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.678 2.157 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.837 1.584 -3.863 1.00 0.00 H new ATOM 847 N ALA A 52 132.767 -0.350 -2.324 1.00 0.00 N ATOM 848 CA ALA A 52 131.425 -0.939 -2.096 1.00 0.00 C ATOM 849 C ALA A 52 130.531 0.023 -1.313 1.00 0.00 C ATOM 850 O ALA A 52 129.380 0.219 -1.642 1.00 0.00 O ATOM 851 CB ALA A 52 131.682 -2.206 -1.288 1.00 0.00 C ATOM 0 H ALA A 52 133.542 -1.010 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 52 130.909 -1.145 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.734 -2.702 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.324 -2.877 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.172 -1.946 -0.349 1.00 0.00 H new ATOM 857 N PHE A 53 131.051 0.620 -0.276 1.00 0.00 N ATOM 858 CA PHE A 53 130.231 1.566 0.531 1.00 0.00 C ATOM 859 C PHE A 53 129.750 2.732 -0.338 1.00 0.00 C ATOM 860 O PHE A 53 128.573 3.024 -0.407 1.00 0.00 O ATOM 861 CB PHE A 53 131.179 2.063 1.618 1.00 0.00 C ATOM 862 CG PHE A 53 130.589 3.277 2.281 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.325 3.199 2.873 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.303 4.476 2.306 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.772 4.324 3.492 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.754 5.604 2.926 1.00 0.00 C ATOM 867 CZ PHE A 53 129.487 5.529 3.518 1.00 0.00 C ATOM 0 H PHE A 53 132.010 0.493 0.047 1.00 0.00 H new ATOM 0 HA PHE A 53 129.338 1.096 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.347 1.278 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.149 2.307 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.776 2.269 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.279 4.533 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.795 4.265 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.307 6.532 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.061 6.400 3.994 1.00 0.00 H new ATOM 877 N SER A 54 130.653 3.402 -1.000 1.00 0.00 N ATOM 878 CA SER A 54 130.246 4.550 -1.861 1.00 0.00 C ATOM 879 C SER A 54 129.216 4.093 -2.897 1.00 0.00 C ATOM 880 O SER A 54 128.475 4.885 -3.443 1.00 0.00 O ATOM 881 CB SER A 54 131.532 5.003 -2.550 1.00 0.00 C ATOM 882 OG SER A 54 131.319 6.271 -3.158 1.00 0.00 O ATOM 0 H SER A 54 131.654 3.205 -0.983 1.00 0.00 H new ATOM 0 HA SER A 54 129.786 5.354 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.343 5.066 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.832 4.273 -3.301 1.00 0.00 H new ATOM 0 HG SER A 54 132.143 6.565 -3.600 1.00 0.00 H new ATOM 888 N GLU A 55 129.167 2.818 -3.173 1.00 0.00 N ATOM 889 CA GLU A 55 128.190 2.308 -4.175 1.00 0.00 C ATOM 890 C GLU A 55 126.903 1.850 -3.480 1.00 0.00 C ATOM 891 O GLU A 55 125.850 1.784 -4.083 1.00 0.00 O ATOM 892 CB GLU A 55 128.892 1.123 -4.842 1.00 0.00 C ATOM 893 CG GLU A 55 130.330 1.510 -5.200 1.00 0.00 C ATOM 894 CD GLU A 55 130.521 1.419 -6.716 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.998 0.486 -7.303 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.186 2.282 -7.263 1.00 0.00 O ATOM 0 H GLU A 55 129.762 2.108 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 55 127.902 3.072 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.893 0.264 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.351 0.826 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.542 2.522 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.033 0.848 -4.694 1.00 0.00 H new ATOM 903 N ILE A 56 126.980 1.535 -2.215 1.00 0.00 N ATOM 904 CA ILE A 56 125.763 1.081 -1.482 1.00 0.00 C ATOM 905 C ILE A 56 124.929 2.288 -1.043 1.00 0.00 C ATOM 906 O ILE A 56 123.764 2.396 -1.368 1.00 0.00 O ATOM 907 CB ILE A 56 126.296 0.314 -0.270 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.820 -1.049 -0.732 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.168 0.110 0.745 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.845 -1.577 0.272 1.00 0.00 C ATOM 0 H ILE A 56 127.833 1.572 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 56 125.113 0.460 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 56 127.102 0.880 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.994 -1.754 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.276 -0.958 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.549 -0.436 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.789 1.080 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.361 -0.459 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.215 -2.547 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.677 -0.877 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.375 -1.684 1.250 1.00 0.00 H new ATOM 922 N MET A 57 125.515 3.199 -0.314 1.00 0.00 N ATOM 923 CA MET A 57 124.749 4.399 0.131 1.00 0.00 C ATOM 924 C MET A 57 124.217 5.152 -1.088 1.00 0.00 C ATOM 925 O MET A 57 123.130 5.693 -1.071 1.00 0.00 O ATOM 926 CB MET A 57 125.760 5.260 0.890 1.00 0.00 C ATOM 927 CG MET A 57 126.035 4.642 2.263 1.00 0.00 C ATOM 928 SD MET A 57 124.487 4.517 3.195 1.00 0.00 S ATOM 929 CE MET A 57 124.279 6.283 3.530 1.00 0.00 C ATOM 0 H MET A 57 126.487 3.165 -0.008 1.00 0.00 H new ATOM 0 HA MET A 57 123.892 4.139 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.687 5.335 0.322 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.375 6.273 1.007 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.481 3.654 2.146 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.753 5.253 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 57 124.476 6.479 4.584 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.977 6.854 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.258 6.581 3.290 1.00 0.00 H new ATOM 939 N SER A 58 124.975 5.185 -2.150 1.00 0.00 N ATOM 940 CA SER A 58 124.512 5.898 -3.374 1.00 0.00 C ATOM 941 C SER A 58 123.196 5.289 -3.862 1.00 0.00 C ATOM 942 O SER A 58 122.204 5.974 -4.020 1.00 0.00 O ATOM 943 CB SER A 58 125.619 5.681 -4.405 1.00 0.00 C ATOM 944 OG SER A 58 126.190 6.936 -4.752 1.00 0.00 O ATOM 0 H SER A 58 125.894 4.749 -2.223 1.00 0.00 H new ATOM 0 HA SER A 58 124.330 6.958 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.385 5.020 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.215 5.194 -5.293 1.00 0.00 H new ATOM 0 HG SER A 58 126.902 6.800 -5.412 1.00 0.00 H new ATOM 950 N MET A 59 123.176 4.005 -4.096 1.00 0.00 N ATOM 951 CA MET A 59 121.919 3.354 -4.565 1.00 0.00 C ATOM 952 C MET A 59 120.837 3.483 -3.490 1.00 0.00 C ATOM 953 O MET A 59 119.656 3.457 -3.775 1.00 0.00 O ATOM 954 CB MET A 59 122.291 1.886 -4.782 1.00 0.00 C ATOM 955 CG MET A 59 123.294 1.780 -5.933 1.00 0.00 C ATOM 956 SD MET A 59 122.438 1.232 -7.431 1.00 0.00 S ATOM 957 CE MET A 59 123.006 2.565 -8.516 1.00 0.00 C ATOM 0 H MET A 59 123.974 3.380 -3.983 1.00 0.00 H new ATOM 0 HA MET A 59 121.525 3.810 -5.474 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.721 1.470 -3.871 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.398 1.303 -5.008 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.769 2.746 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 59 124.086 1.077 -5.676 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.590 2.424 -9.514 1.00 0.00 H new ATOM 0 HE2 MET A 59 122.676 3.524 -8.117 1.00 0.00 H new ATOM 0 HE3 MET A 59 124.094 2.550 -8.571 1.00 0.00 H new ATOM 967 N ILE A 60 121.238 3.627 -2.257 1.00 0.00 N ATOM 968 CA ILE A 60 120.243 3.763 -1.156 1.00 0.00 C ATOM 969 C ILE A 60 119.600 5.158 -1.204 1.00 0.00 C ATOM 970 O ILE A 60 118.455 5.336 -0.842 1.00 0.00 O ATOM 971 CB ILE A 60 121.062 3.541 0.130 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.816 2.120 0.640 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.658 4.538 1.219 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.154 1.448 0.954 1.00 0.00 C ATOM 0 H ILE A 60 122.214 3.656 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 60 119.419 3.053 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 60 122.117 3.688 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.192 2.147 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.275 1.543 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.252 4.358 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.833 5.554 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.601 4.413 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.976 0.436 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.762 1.408 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.678 2.021 1.719 1.00 0.00 H new ATOM 986 N TRP A 61 120.327 6.145 -1.653 1.00 0.00 N ATOM 987 CA TRP A 61 119.751 7.520 -1.726 1.00 0.00 C ATOM 988 C TRP A 61 118.805 7.632 -2.923 1.00 0.00 C ATOM 989 O TRP A 61 117.645 7.968 -2.782 1.00 0.00 O ATOM 990 CB TRP A 61 120.952 8.448 -1.906 1.00 0.00 C ATOM 991 CG TRP A 61 121.734 8.504 -0.633 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.069 8.311 -0.534 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.256 8.767 0.718 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.441 8.436 0.792 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.360 8.716 1.603 1.00 0.00 C ATOM 996 CE3 TRP A 61 119.986 9.039 1.258 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.209 8.929 2.974 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.831 9.254 2.638 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.941 9.198 3.493 1.00 0.00 C ATOM 0 H TRP A 61 121.292 6.060 -1.972 1.00 0.00 H new ATOM 0 HA TRP A 61 119.173 7.772 -0.837 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.584 8.089 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.615 9.447 -2.182 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.735 8.095 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.398 8.334 1.130 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.125 9.083 0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.067 8.886 3.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.852 9.464 3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.815 9.363 4.553 1.00 0.00 H new ATOM 1010 N LYS A 62 119.291 7.355 -4.102 1.00 0.00 N ATOM 1011 CA LYS A 62 118.421 7.447 -5.310 1.00 0.00 C ATOM 1012 C LYS A 62 117.065 6.789 -5.037 1.00 0.00 C ATOM 1013 O LYS A 62 116.024 7.370 -5.274 1.00 0.00 O ATOM 1014 CB LYS A 62 119.177 6.688 -6.401 1.00 0.00 C ATOM 1015 CG LYS A 62 119.352 7.588 -7.625 1.00 0.00 C ATOM 1016 CD LYS A 62 120.721 8.269 -7.566 1.00 0.00 C ATOM 1017 CE LYS A 62 120.534 9.774 -7.363 1.00 0.00 C ATOM 1018 NZ LYS A 62 121.056 10.043 -5.994 1.00 0.00 N ATOM 0 H LYS A 62 120.253 7.069 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 62 118.220 8.479 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.151 6.370 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.631 5.786 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.266 6.999 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 62 118.562 8.338 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.312 7.852 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.272 8.081 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.081 10.345 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 62 119.485 10.057 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 120.962 11.056 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 120.512 9.491 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.058 9.770 -5.945 1.00 0.00 H new ATOM 1032 N ARG A 63 117.068 5.582 -4.543 1.00 0.00 N ATOM 1033 CA ARG A 63 115.778 4.892 -4.257 1.00 0.00 C ATOM 1034 C ARG A 63 115.059 5.579 -3.091 1.00 0.00 C ATOM 1035 O ARG A 63 113.845 5.614 -3.031 1.00 0.00 O ATOM 1036 CB ARG A 63 116.168 3.461 -3.880 1.00 0.00 C ATOM 1037 CG ARG A 63 116.654 2.719 -5.127 1.00 0.00 C ATOM 1038 CD ARG A 63 115.580 1.730 -5.585 1.00 0.00 C ATOM 1039 NE ARG A 63 115.652 1.746 -7.073 1.00 0.00 N ATOM 1040 CZ ARG A 63 114.845 0.999 -7.774 1.00 0.00 C ATOM 1041 NH1 ARG A 63 114.500 -0.180 -7.332 1.00 0.00 N ATOM 1042 NH2 ARG A 63 114.384 1.428 -8.916 1.00 0.00 N ATOM 0 H ARG A 63 117.907 5.044 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 63 115.098 4.917 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.952 3.474 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.314 2.942 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 63 116.872 3.430 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.582 2.190 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 63 115.769 0.731 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.592 2.029 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 63 116.333 2.342 -7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 63 114.862 -0.516 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 63 113.869 -0.765 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 63 114.655 2.349 -9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 63 113.753 0.843 -9.463 1.00 0.00 H new ATOM 1056 N LEU A 64 115.799 6.125 -2.166 1.00 0.00 N ATOM 1057 CA LEU A 64 115.160 6.812 -1.005 1.00 0.00 C ATOM 1058 C LEU A 64 114.393 8.046 -1.483 1.00 0.00 C ATOM 1059 O LEU A 64 113.439 8.476 -0.864 1.00 0.00 O ATOM 1060 CB LEU A 64 116.320 7.226 -0.101 1.00 0.00 C ATOM 1061 CG LEU A 64 116.500 6.191 1.008 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.689 6.582 1.886 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.232 6.136 1.865 1.00 0.00 C ATOM 0 H LEU A 64 116.819 6.126 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 64 114.447 6.170 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.237 7.312 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.125 8.207 0.332 1.00 0.00 H new ATOM 0 HG LEU A 64 116.683 5.213 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.816 5.843 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.593 6.622 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.507 7.561 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.360 5.398 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.049 7.115 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.383 5.856 1.241 1.00 0.00 H new ATOM 1075 N ASN A 65 114.803 8.618 -2.579 1.00 0.00 N ATOM 1076 CA ASN A 65 114.104 9.822 -3.097 1.00 0.00 C ATOM 1077 C ASN A 65 113.174 9.431 -4.245 1.00 0.00 C ATOM 1078 O ASN A 65 113.013 10.158 -5.205 1.00 0.00 O ATOM 1079 CB ASN A 65 115.218 10.745 -3.592 1.00 0.00 C ATOM 1080 CG ASN A 65 115.673 11.653 -2.447 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.072 12.779 -2.671 1.00 0.00 O ATOM 1082 ND2 ASN A 65 115.628 11.209 -1.221 1.00 0.00 N ATOM 0 H ASN A 65 115.595 8.302 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 65 113.487 10.305 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 65 116.058 10.155 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.862 11.347 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.928 11.807 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.293 10.264 -1.033 1.00 0.00 H new ATOM 1161 N TRP A 71 106.374 4.898 -3.197 1.00 0.00 N ATOM 1162 CA TRP A 71 107.478 5.088 -2.214 1.00 0.00 C ATOM 1163 C TRP A 71 107.922 3.735 -1.653 1.00 0.00 C ATOM 1164 O TRP A 71 108.724 3.662 -0.743 1.00 0.00 O ATOM 1165 CB TRP A 71 106.880 5.958 -1.109 1.00 0.00 C ATOM 1166 CG TRP A 71 105.615 5.335 -0.608 1.00 0.00 C ATOM 1167 CD1 TRP A 71 104.367 5.723 -0.959 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.452 4.228 0.325 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.449 4.923 -0.300 1.00 0.00 N ATOM 1170 CE2 TRP A 71 104.069 3.988 0.503 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.361 3.416 1.027 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.604 2.979 1.347 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.897 2.400 1.878 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.521 2.181 2.037 1.00 0.00 C ATOM 0 HA TRP A 71 108.357 5.550 -2.663 1.00 0.00 H new ATOM 0 HB2 TRP A 71 107.593 6.066 -0.291 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.678 6.959 -1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 71 104.127 6.525 -1.641 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.438 5.014 -0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.423 3.575 0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.543 2.816 1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.604 1.784 2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.170 1.397 2.692 1.00 0.00 H new ATOM 1185 N ARG A 72 107.408 2.662 -2.191 1.00 0.00 N ATOM 1186 CA ARG A 72 107.802 1.314 -1.688 1.00 0.00 C ATOM 1187 C ARG A 72 109.327 1.178 -1.678 1.00 0.00 C ATOM 1188 O ARG A 72 109.901 0.584 -0.787 1.00 0.00 O ATOM 1189 CB ARG A 72 107.183 0.328 -2.680 1.00 0.00 C ATOM 1190 CG ARG A 72 106.204 -0.589 -1.944 1.00 0.00 C ATOM 1191 CD ARG A 72 104.818 -0.474 -2.581 1.00 0.00 C ATOM 1192 NE ARG A 72 103.862 -0.742 -1.471 1.00 0.00 N ATOM 1193 CZ ARG A 72 102.823 -1.504 -1.674 1.00 0.00 C ATOM 1194 NH1 ARG A 72 102.330 -1.628 -2.876 1.00 0.00 N ATOM 1195 NH2 ARG A 72 102.275 -2.141 -0.675 1.00 0.00 N ATOM 0 H ARG A 72 106.733 2.660 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 72 107.461 1.137 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.666 0.869 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.964 -0.264 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.552 -1.621 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 72 106.155 -0.315 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.660 0.517 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.695 -1.193 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 72 104.020 -0.329 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.757 -1.129 -3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 72 101.518 -2.224 -3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 72 102.659 -2.043 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.463 -2.737 -0.834 1.00 0.00 H new ATOM 1209 N HIS A 73 109.986 1.724 -2.663 1.00 0.00 N ATOM 1210 CA HIS A 73 111.472 1.626 -2.710 1.00 0.00 C ATOM 1211 C HIS A 73 112.092 2.445 -1.575 1.00 0.00 C ATOM 1212 O HIS A 73 113.133 2.105 -1.048 1.00 0.00 O ATOM 1213 CB HIS A 73 111.864 2.205 -4.069 1.00 0.00 C ATOM 1214 CG HIS A 73 111.334 1.318 -5.161 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.484 0.255 -4.902 1.00 0.00 N ATOM 1216 CD2 HIS A 73 111.524 1.322 -6.522 1.00 0.00 C ATOM 1217 CE1 HIS A 73 110.196 -0.331 -6.078 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.805 0.279 -7.098 1.00 0.00 N ATOM 0 H HIS A 73 109.560 2.234 -3.437 1.00 0.00 H new ATOM 0 HA HIS A 73 111.823 0.601 -2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.463 3.213 -4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.949 2.284 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 73 112.138 2.027 -7.062 1.00 0.00 H new ATOM 0 HE1 HIS A 73 109.551 -1.190 -6.184 1.00 0.00 H new ATOM 0 HE2 HIS A 73 110.754 0.033 -8.087 1.00 0.00 H new ATOM 1226 N VAL A 74 111.461 3.522 -1.193 1.00 0.00 N ATOM 1227 CA VAL A 74 112.014 4.362 -0.091 1.00 0.00 C ATOM 1228 C VAL A 74 112.017 3.576 1.222 1.00 0.00 C ATOM 1229 O VAL A 74 113.047 3.372 1.832 1.00 0.00 O ATOM 1230 CB VAL A 74 111.071 5.558 0.010 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.310 6.281 1.336 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.338 6.517 -1.152 1.00 0.00 C ATOM 0 H VAL A 74 110.586 3.857 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 74 113.042 4.668 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 74 110.038 5.214 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.638 7.136 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.120 5.597 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.343 6.627 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.665 7.371 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.370 6.864 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.169 6.000 -2.097 1.00 0.00 H new ATOM 1242 N TYR A 75 110.870 3.138 1.664 1.00 0.00 N ATOM 1243 CA TYR A 75 110.809 2.367 2.938 1.00 0.00 C ATOM 1244 C TYR A 75 111.894 1.290 2.948 1.00 0.00 C ATOM 1245 O TYR A 75 112.692 1.206 3.860 1.00 0.00 O ATOM 1246 CB TYR A 75 109.418 1.733 2.947 1.00 0.00 C ATOM 1247 CG TYR A 75 108.959 1.542 4.371 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.781 2.652 5.205 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.707 0.253 4.858 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.351 2.473 6.525 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.278 0.075 6.179 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.100 1.185 7.013 1.00 0.00 C ATOM 1253 OH TYR A 75 107.677 1.011 8.315 1.00 0.00 O ATOM 0 H TYR A 75 109.974 3.280 1.199 1.00 0.00 H new ATOM 0 HA TYR A 75 110.975 2.993 3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.714 2.368 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.441 0.774 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 75 108.975 3.646 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.844 -0.604 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.213 3.330 7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.084 -0.919 6.554 1.00 0.00 H new ATOM 0 HH TYR A 75 107.548 0.056 8.492 1.00 0.00 H new ATOM 1263 N LYS A 76 111.936 0.470 1.935 1.00 0.00 N ATOM 1264 CA LYS A 76 112.976 -0.594 1.884 1.00 0.00 C ATOM 1265 C LYS A 76 114.366 0.044 1.917 1.00 0.00 C ATOM 1266 O LYS A 76 115.302 -0.505 2.464 1.00 0.00 O ATOM 1267 CB LYS A 76 112.747 -1.315 0.555 1.00 0.00 C ATOM 1268 CG LYS A 76 111.330 -1.893 0.522 1.00 0.00 C ATOM 1269 CD LYS A 76 111.203 -2.994 1.577 1.00 0.00 C ATOM 1270 CE LYS A 76 112.135 -4.153 1.217 1.00 0.00 C ATOM 1271 NZ LYS A 76 113.138 -4.194 2.318 1.00 0.00 N ATOM 0 H LYS A 76 111.296 0.491 1.141 1.00 0.00 H new ATOM 0 HA LYS A 76 112.913 -1.280 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.888 -0.623 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.479 -2.113 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.600 -1.106 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 76 111.113 -2.296 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.457 -2.601 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.172 -3.345 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 76 111.588 -5.093 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 76 112.614 -3.990 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 114.093 -4.083 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 112.950 -3.421 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 113.072 -5.106 2.814 1.00 0.00 H new ATOM 1285 N ALA A 77 114.505 1.208 1.340 1.00 0.00 N ATOM 1286 CA ALA A 77 115.831 1.887 1.343 1.00 0.00 C ATOM 1287 C ALA A 77 116.201 2.286 2.772 1.00 0.00 C ATOM 1288 O ALA A 77 117.360 2.361 3.129 1.00 0.00 O ATOM 1289 CB ALA A 77 115.644 3.126 0.470 1.00 0.00 C ATOM 0 H ALA A 77 113.758 1.717 0.867 1.00 0.00 H new ATOM 0 HA ALA A 77 116.630 1.247 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.580 3.682 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.351 2.822 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.867 3.759 0.899 1.00 0.00 H new ATOM 1295 N MET A 78 115.221 2.539 3.595 1.00 0.00 N ATOM 1296 CA MET A 78 115.509 2.929 5.003 1.00 0.00 C ATOM 1297 C MET A 78 116.040 1.724 5.779 1.00 0.00 C ATOM 1298 O MET A 78 116.851 1.856 6.671 1.00 0.00 O ATOM 1299 CB MET A 78 114.165 3.374 5.578 1.00 0.00 C ATOM 1300 CG MET A 78 113.554 4.454 4.684 1.00 0.00 C ATOM 1301 SD MET A 78 112.936 5.805 5.717 1.00 0.00 S ATOM 1302 CE MET A 78 111.481 6.208 4.720 1.00 0.00 C ATOM 0 H MET A 78 114.231 2.492 3.352 1.00 0.00 H new ATOM 0 HA MET A 78 116.261 3.716 5.067 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.489 2.522 5.649 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.300 3.759 6.589 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.301 4.828 3.984 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.742 4.034 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 78 111.252 7.269 4.822 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.682 5.980 3.673 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.631 5.619 5.063 1.00 0.00 H new ATOM 1312 N THR A 79 115.582 0.548 5.447 1.00 0.00 N ATOM 1313 CA THR A 79 116.055 -0.668 6.166 1.00 0.00 C ATOM 1314 C THR A 79 117.528 -0.930 5.853 1.00 0.00 C ATOM 1315 O THR A 79 118.288 -1.351 6.703 1.00 0.00 O ATOM 1316 CB THR A 79 115.181 -1.807 5.642 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.823 -1.391 5.625 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.332 -3.027 6.552 1.00 0.00 C ATOM 0 H THR A 79 114.900 0.377 4.708 1.00 0.00 H new ATOM 0 HA THR A 79 115.977 -0.563 7.248 1.00 0.00 H new ATOM 0 HB THR A 79 115.493 -2.070 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.262 -2.120 5.288 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.709 -3.839 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.374 -3.345 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.021 -2.767 7.564 1.00 0.00 H new ATOM 1326 N LEU A 80 117.939 -0.684 4.643 1.00 0.00 N ATOM 1327 CA LEU A 80 119.367 -0.917 4.283 1.00 0.00 C ATOM 1328 C LEU A 80 120.248 0.162 4.912 1.00 0.00 C ATOM 1329 O LEU A 80 121.345 -0.104 5.361 1.00 0.00 O ATOM 1330 CB LEU A 80 119.420 -0.830 2.760 1.00 0.00 C ATOM 1331 CG LEU A 80 120.814 -1.239 2.286 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.176 -2.600 2.889 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.827 -1.335 0.758 1.00 0.00 C ATOM 0 H LEU A 80 117.351 -0.332 3.887 1.00 0.00 H new ATOM 0 HA LEU A 80 119.730 -1.879 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.666 -1.482 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 80 119.194 0.185 2.433 1.00 0.00 H new ATOM 0 HG LEU A 80 121.542 -0.494 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.170 -2.894 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.167 -2.530 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.449 -3.345 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.821 -1.627 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 80 120.101 -2.080 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.568 -0.366 0.330 1.00 0.00 H new ATOM 1345 N MET A 81 119.778 1.378 4.954 1.00 0.00 N ATOM 1346 CA MET A 81 120.594 2.465 5.561 1.00 0.00 C ATOM 1347 C MET A 81 120.609 2.318 7.085 1.00 0.00 C ATOM 1348 O MET A 81 121.537 2.732 7.749 1.00 0.00 O ATOM 1349 CB MET A 81 119.901 3.765 5.149 1.00 0.00 C ATOM 1350 CG MET A 81 120.541 4.940 5.889 1.00 0.00 C ATOM 1351 SD MET A 81 120.779 6.320 4.744 1.00 0.00 S ATOM 1352 CE MET A 81 121.951 7.253 5.759 1.00 0.00 C ATOM 0 H MET A 81 118.867 1.665 4.595 1.00 0.00 H new ATOM 0 HA MET A 81 121.632 2.440 5.228 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.986 3.910 4.072 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.837 3.712 5.380 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.907 5.249 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.498 4.638 6.314 1.00 0.00 H new ATOM 0 HE1 MET A 81 122.553 7.898 5.119 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.404 7.863 6.478 1.00 0.00 H new ATOM 0 HE3 MET A 81 122.603 6.560 6.292 1.00 0.00 H new ATOM 1362 N GLU A 82 119.589 1.726 7.643 1.00 0.00 N ATOM 1363 CA GLU A 82 119.552 1.548 9.122 1.00 0.00 C ATOM 1364 C GLU A 82 120.412 0.348 9.527 1.00 0.00 C ATOM 1365 O GLU A 82 121.078 0.362 10.543 1.00 0.00 O ATOM 1366 CB GLU A 82 118.084 1.290 9.456 1.00 0.00 C ATOM 1367 CG GLU A 82 117.730 1.985 10.772 1.00 0.00 C ATOM 1368 CD GLU A 82 116.547 1.270 11.427 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.457 0.061 11.284 1.00 0.00 O ATOM 1370 OE2 GLU A 82 115.751 1.943 12.060 1.00 0.00 O ATOM 0 H GLU A 82 118.781 1.359 7.140 1.00 0.00 H new ATOM 0 HA GLU A 82 119.942 2.416 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.447 1.661 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.902 0.218 9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.590 1.977 11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.480 3.030 10.588 1.00 0.00 H new ATOM 1377 N TYR A 83 120.397 -0.691 8.739 1.00 0.00 N ATOM 1378 CA TYR A 83 121.205 -1.895 9.070 1.00 0.00 C ATOM 1379 C TYR A 83 122.693 -1.617 8.841 1.00 0.00 C ATOM 1380 O TYR A 83 123.530 -1.940 9.662 1.00 0.00 O ATOM 1381 CB TYR A 83 120.709 -2.970 8.105 1.00 0.00 C ATOM 1382 CG TYR A 83 121.491 -4.237 8.331 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.745 -4.396 7.736 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.963 -5.249 9.138 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.475 -5.572 7.946 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.692 -6.425 9.352 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.948 -6.587 8.755 1.00 0.00 C ATOM 1388 OH TYR A 83 123.668 -7.745 8.966 1.00 0.00 O ATOM 0 H TYR A 83 119.857 -0.757 7.876 1.00 0.00 H new ATOM 0 HA TYR A 83 121.097 -2.193 10.113 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.646 -3.152 8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.828 -2.634 7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.151 -3.612 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.993 -5.124 9.596 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.444 -5.697 7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 83 121.286 -7.206 9.977 1.00 0.00 H new ATOM 0 HH TYR A 83 123.450 -8.109 9.849 1.00 0.00 H new ATOM 1398 N LEU A 84 123.029 -1.025 7.729 1.00 0.00 N ATOM 1399 CA LEU A 84 124.462 -0.729 7.443 1.00 0.00 C ATOM 1400 C LEU A 84 124.996 0.317 8.426 1.00 0.00 C ATOM 1401 O LEU A 84 126.085 0.190 8.949 1.00 0.00 O ATOM 1402 CB LEU A 84 124.470 -0.191 6.012 1.00 0.00 C ATOM 1403 CG LEU A 84 123.861 -1.238 5.078 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.723 -0.659 3.668 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.767 -2.470 5.038 1.00 0.00 C ATOM 0 H LEU A 84 122.373 -0.733 7.005 1.00 0.00 H new ATOM 0 HA LEU A 84 125.099 -1.607 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.902 0.738 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.489 0.040 5.703 1.00 0.00 H new ATOM 0 HG LEU A 84 122.875 -1.520 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.289 -1.409 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 84 123.076 0.218 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.706 -0.372 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.335 -3.218 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.753 -2.185 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.859 -2.887 6.041 1.00 0.00 H new ATOM 1417 N ILE A 85 124.238 1.347 8.688 1.00 0.00 N ATOM 1418 CA ILE A 85 124.709 2.391 9.644 1.00 0.00 C ATOM 1419 C ILE A 85 125.116 1.733 10.968 1.00 0.00 C ATOM 1420 O ILE A 85 125.841 2.303 11.759 1.00 0.00 O ATOM 1421 CB ILE A 85 123.507 3.321 9.842 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.449 4.326 8.689 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.644 4.080 11.164 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.257 5.265 8.890 1.00 0.00 C ATOM 0 H ILE A 85 123.316 1.511 8.283 1.00 0.00 H new ATOM 0 HA ILE A 85 125.579 2.935 9.277 1.00 0.00 H new ATOM 0 HB ILE A 85 122.594 2.725 9.862 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.375 4.900 8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.355 3.800 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.785 4.738 11.296 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.686 3.369 11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.558 4.674 11.150 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.215 5.981 8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.335 4.683 8.912 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.370 5.800 9.833 1.00 0.00 H new ATOM 1436 N LYS A 86 124.655 0.536 11.212 1.00 0.00 N ATOM 1437 CA LYS A 86 125.014 -0.159 12.481 1.00 0.00 C ATOM 1438 C LYS A 86 126.201 -1.099 12.251 1.00 0.00 C ATOM 1439 O LYS A 86 127.329 -0.781 12.575 1.00 0.00 O ATOM 1440 CB LYS A 86 123.766 -0.954 12.864 1.00 0.00 C ATOM 1441 CG LYS A 86 123.055 -0.260 14.027 1.00 0.00 C ATOM 1442 CD LYS A 86 122.483 -1.313 14.979 1.00 0.00 C ATOM 1443 CE LYS A 86 121.175 -0.798 15.585 1.00 0.00 C ATOM 1444 NZ LYS A 86 121.498 -0.511 17.010 1.00 0.00 N ATOM 0 H LYS A 86 124.045 0.009 10.587 1.00 0.00 H new ATOM 0 HA LYS A 86 125.309 0.538 13.265 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.095 -1.032 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.042 -1.970 13.147 1.00 0.00 H new ATOM 0 HG2 LYS A 86 123.753 0.386 14.560 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.255 0.377 13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 86 122.305 -2.245 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 86 123.201 -1.532 15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 86 120.828 0.098 15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 86 120.382 -1.541 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.649 -0.153 17.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 121.819 -1.384 17.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.251 0.205 17.058 1.00 0.00 H new ATOM 1458 N THR A 87 125.957 -2.255 11.695 1.00 0.00 N ATOM 1459 CA THR A 87 127.072 -3.214 11.445 1.00 0.00 C ATOM 1460 C THR A 87 127.834 -2.823 10.176 1.00 0.00 C ATOM 1461 O THR A 87 128.985 -3.166 10.002 1.00 0.00 O ATOM 1462 CB THR A 87 126.393 -4.573 11.265 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.374 -5.599 11.311 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.672 -4.613 9.918 1.00 0.00 C ATOM 0 H THR A 87 125.034 -2.577 11.403 1.00 0.00 H new ATOM 0 HA THR A 87 127.797 -3.224 12.259 1.00 0.00 H new ATOM 0 HB THR A 87 125.668 -4.726 12.065 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.941 -6.471 11.197 1.00 0.00 H new ATOM 0 HG21 THR A 87 125.189 -5.582 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.919 -3.826 9.885 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.393 -4.460 9.115 1.00 0.00 H new ATOM 1472 N GLY A 88 127.199 -2.107 9.288 1.00 0.00 N ATOM 1473 CA GLY A 88 127.888 -1.696 8.033 1.00 0.00 C ATOM 1474 C GLY A 88 129.300 -1.210 8.360 1.00 0.00 C ATOM 1475 O GLY A 88 130.279 -1.865 8.058 1.00 0.00 O ATOM 0 H GLY A 88 126.234 -1.790 9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.933 -2.535 7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.325 -0.904 7.539 1.00 0.00 H new ATOM 1479 N SER A 89 129.416 -0.066 8.978 1.00 0.00 N ATOM 1480 CA SER A 89 130.767 0.461 9.326 1.00 0.00 C ATOM 1481 C SER A 89 130.655 1.893 9.854 1.00 0.00 C ATOM 1482 O SER A 89 129.673 2.573 9.629 1.00 0.00 O ATOM 1483 CB SER A 89 131.553 0.434 8.016 1.00 0.00 C ATOM 1484 OG SER A 89 132.489 -0.636 8.051 1.00 0.00 O ATOM 0 H SER A 89 128.634 0.527 9.257 1.00 0.00 H new ATOM 0 HA SER A 89 131.252 -0.128 10.104 1.00 0.00 H new ATOM 0 HB2 SER A 89 130.873 0.310 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 89 132.072 1.381 7.870 1.00 0.00 H new ATOM 0 HG SER A 89 132.016 -1.479 8.213 1.00 0.00 H new ATOM 1490 N GLU A 90 131.654 2.358 10.553 1.00 0.00 N ATOM 1491 CA GLU A 90 131.604 3.747 11.093 1.00 0.00 C ATOM 1492 C GLU A 90 131.459 4.752 9.947 1.00 0.00 C ATOM 1493 O GLU A 90 131.112 5.898 10.154 1.00 0.00 O ATOM 1494 CB GLU A 90 132.940 3.942 11.813 1.00 0.00 C ATOM 1495 CG GLU A 90 132.789 3.559 13.286 1.00 0.00 C ATOM 1496 CD GLU A 90 134.155 3.617 13.971 1.00 0.00 C ATOM 1497 OE1 GLU A 90 135.050 2.917 13.526 1.00 0.00 O ATOM 1498 OE2 GLU A 90 134.284 4.362 14.930 1.00 0.00 O ATOM 0 H GLU A 90 132.503 1.837 10.774 1.00 0.00 H new ATOM 0 HA GLU A 90 130.757 3.901 11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.710 3.329 11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 90 133.263 4.980 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 90 132.094 4.238 13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 90 132.370 2.556 13.371 1.00 0.00 H new ATOM 1505 N ARG A 91 131.724 4.332 8.741 1.00 0.00 N ATOM 1506 CA ARG A 91 131.603 5.262 7.583 1.00 0.00 C ATOM 1507 C ARG A 91 130.138 5.400 7.163 1.00 0.00 C ATOM 1508 O ARG A 91 129.673 6.478 6.849 1.00 0.00 O ATOM 1509 CB ARG A 91 132.423 4.615 6.468 1.00 0.00 C ATOM 1510 CG ARG A 91 133.900 4.593 6.867 1.00 0.00 C ATOM 1511 CD ARG A 91 134.641 5.719 6.143 1.00 0.00 C ATOM 1512 NE ARG A 91 135.779 6.067 7.038 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.407 7.201 6.883 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.302 7.856 5.759 1.00 0.00 N ATOM 1515 NH2 ARG A 91 137.139 7.679 7.851 1.00 0.00 N ATOM 0 H ARG A 91 132.019 3.384 8.507 1.00 0.00 H new ATOM 0 HA ARG A 91 131.958 6.265 7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 91 132.070 3.600 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.295 5.170 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.998 4.714 7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.342 3.630 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.993 5.394 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.991 6.578 5.979 1.00 0.00 H new ATOM 0 HE ARG A 91 136.068 5.420 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.729 7.482 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 91 136.792 8.742 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 91 137.221 7.167 8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 91 137.630 8.565 7.730 1.00 0.00 H new ATOM 1529 N VAL A 92 129.405 4.320 7.154 1.00 0.00 N ATOM 1530 CA VAL A 92 127.971 4.404 6.753 1.00 0.00 C ATOM 1531 C VAL A 92 127.232 5.388 7.662 1.00 0.00 C ATOM 1532 O VAL A 92 126.382 6.137 7.220 1.00 0.00 O ATOM 1533 CB VAL A 92 127.421 2.986 6.921 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.899 3.011 6.764 1.00 0.00 C ATOM 1535 CG2 VAL A 92 128.027 2.073 5.851 1.00 0.00 C ATOM 0 H VAL A 92 129.734 3.388 7.405 1.00 0.00 H new ATOM 0 HA VAL A 92 127.846 4.761 5.731 1.00 0.00 H new ATOM 0 HB VAL A 92 127.681 2.609 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.504 2.002 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.466 3.662 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.641 3.387 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.635 1.063 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.766 2.449 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 92 129.112 2.057 5.958 1.00 0.00 H new ATOM 1545 N SER A 93 127.553 5.402 8.926 1.00 0.00 N ATOM 1546 CA SER A 93 126.874 6.349 9.856 1.00 0.00 C ATOM 1547 C SER A 93 127.348 7.777 9.578 1.00 0.00 C ATOM 1548 O SER A 93 126.567 8.707 9.548 1.00 0.00 O ATOM 1549 CB SER A 93 127.295 5.905 11.256 1.00 0.00 C ATOM 1550 OG SER A 93 126.938 4.543 11.444 1.00 0.00 O ATOM 0 H SER A 93 128.255 4.800 9.355 1.00 0.00 H new ATOM 0 HA SER A 93 125.790 6.341 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 93 128.370 6.032 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 93 126.810 6.527 12.008 1.00 0.00 H new ATOM 0 HG SER A 93 127.208 4.255 12.341 1.00 0.00 H new ATOM 1556 N GLN A 94 128.623 7.956 9.368 1.00 0.00 N ATOM 1557 CA GLN A 94 129.144 9.322 9.085 1.00 0.00 C ATOM 1558 C GLN A 94 128.415 9.914 7.879 1.00 0.00 C ATOM 1559 O GLN A 94 128.077 11.080 7.855 1.00 0.00 O ATOM 1560 CB GLN A 94 130.630 9.129 8.782 1.00 0.00 C ATOM 1561 CG GLN A 94 131.378 8.823 10.082 1.00 0.00 C ATOM 1562 CD GLN A 94 132.117 10.077 10.552 1.00 0.00 C ATOM 1563 OE1 GLN A 94 131.646 10.784 11.421 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.264 10.385 10.011 1.00 0.00 N ATOM 0 H GLN A 94 129.325 7.216 9.380 1.00 0.00 H new ATOM 0 HA GLN A 94 128.992 10.008 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.765 8.314 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.037 10.027 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.677 8.492 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.085 8.009 9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.660 9.792 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 94 133.765 11.219 10.318 1.00 0.00 H new ATOM 1573 N GLN A 95 128.158 9.113 6.885 1.00 0.00 N ATOM 1574 CA GLN A 95 127.436 9.627 5.689 1.00 0.00 C ATOM 1575 C GLN A 95 125.992 9.950 6.071 1.00 0.00 C ATOM 1576 O GLN A 95 125.422 10.925 5.629 1.00 0.00 O ATOM 1577 CB GLN A 95 127.486 8.490 4.667 1.00 0.00 C ATOM 1578 CG GLN A 95 126.609 8.846 3.466 1.00 0.00 C ATOM 1579 CD GLN A 95 127.339 8.477 2.172 1.00 0.00 C ATOM 1580 OE1 GLN A 95 128.111 7.540 2.143 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.125 9.180 1.093 1.00 0.00 N ATOM 0 H GLN A 95 128.416 8.127 6.848 1.00 0.00 H new ATOM 0 HA GLN A 95 127.880 10.538 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.513 8.322 4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.139 7.562 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 95 125.660 8.313 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.378 9.911 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 95 126.477 9.967 1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 95 127.606 8.942 0.226 1.00 0.00 H new ATOM 1590 N CYS A 96 125.397 9.145 6.909 1.00 0.00 N ATOM 1591 CA CYS A 96 123.999 9.430 7.330 1.00 0.00 C ATOM 1592 C CYS A 96 123.950 10.816 7.968 1.00 0.00 C ATOM 1593 O CYS A 96 122.948 11.502 7.925 1.00 0.00 O ATOM 1594 CB CYS A 96 123.657 8.350 8.358 1.00 0.00 C ATOM 1595 SG CYS A 96 121.964 8.598 8.950 1.00 0.00 S ATOM 0 H CYS A 96 125.816 8.309 7.317 1.00 0.00 H new ATOM 0 HA CYS A 96 123.294 9.419 6.499 1.00 0.00 H new ATOM 0 HB2 CYS A 96 123.756 7.361 7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.356 8.393 9.193 1.00 0.00 H new ATOM 0 HG CYS A 96 121.623 9.841 8.782 1.00 0.00 H new ATOM 1601 N LYS A 97 125.040 11.235 8.554 1.00 0.00 N ATOM 1602 CA LYS A 97 125.080 12.578 9.191 1.00 0.00 C ATOM 1603 C LYS A 97 125.473 13.638 8.157 1.00 0.00 C ATOM 1604 O LYS A 97 125.213 14.813 8.330 1.00 0.00 O ATOM 1605 CB LYS A 97 126.149 12.465 10.277 1.00 0.00 C ATOM 1606 CG LYS A 97 126.253 13.789 11.034 1.00 0.00 C ATOM 1607 CD LYS A 97 126.943 13.552 12.378 1.00 0.00 C ATOM 1608 CE LYS A 97 127.872 14.728 12.691 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.001 15.934 12.627 1.00 0.00 N ATOM 0 H LYS A 97 125.906 10.701 8.618 1.00 0.00 H new ATOM 0 HA LYS A 97 124.114 12.875 9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 97 125.898 11.659 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.111 12.214 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 97 126.816 14.514 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.260 14.210 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 97 126.198 13.443 13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.513 12.623 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 97 128.326 14.621 13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.687 14.791 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 127.373 16.665 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 126.986 16.300 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 126.035 15.680 12.916 1.00 0.00 H new ATOM 1623 N GLU A 98 126.099 13.236 7.082 1.00 0.00 N ATOM 1624 CA GLU A 98 126.504 14.222 6.043 1.00 0.00 C ATOM 1625 C GLU A 98 125.332 14.487 5.088 1.00 0.00 C ATOM 1626 O GLU A 98 125.289 15.488 4.401 1.00 0.00 O ATOM 1627 CB GLU A 98 127.699 13.571 5.320 1.00 0.00 C ATOM 1628 CG GLU A 98 127.240 12.843 4.051 1.00 0.00 C ATOM 1629 CD GLU A 98 128.463 12.347 3.276 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.445 12.007 3.915 1.00 0.00 O ATOM 1631 OE2 GLU A 98 128.395 12.316 2.058 1.00 0.00 O ATOM 0 H GLU A 98 126.346 12.267 6.881 1.00 0.00 H new ATOM 0 HA GLU A 98 126.780 15.190 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 98 128.432 14.335 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.194 12.867 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 98 126.597 12.003 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 98 126.649 13.514 3.428 1.00 0.00 H new ATOM 1638 N ASN A 99 124.381 13.592 5.047 1.00 0.00 N ATOM 1639 CA ASN A 99 123.214 13.783 4.147 1.00 0.00 C ATOM 1640 C ASN A 99 121.913 13.710 4.950 1.00 0.00 C ATOM 1641 O ASN A 99 120.960 13.073 4.548 1.00 0.00 O ATOM 1642 CB ASN A 99 123.293 12.631 3.144 1.00 0.00 C ATOM 1643 CG ASN A 99 123.565 13.188 1.746 1.00 0.00 C ATOM 1644 OD1 ASN A 99 124.642 13.680 1.476 1.00 0.00 O ATOM 1645 ND2 ASN A 99 122.627 13.132 0.840 1.00 0.00 N ATOM 0 H ASN A 99 124.365 12.736 5.601 1.00 0.00 H new ATOM 0 HA ASN A 99 123.228 14.754 3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.084 11.939 3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.360 12.068 3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 99 122.798 13.502 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 99 121.723 12.719 1.067 1.00 0.00 H new ATOM 1652 N MET A 100 121.867 14.354 6.084 1.00 0.00 N ATOM 1653 CA MET A 100 120.627 14.320 6.910 1.00 0.00 C ATOM 1654 C MET A 100 119.464 14.948 6.139 1.00 0.00 C ATOM 1655 O MET A 100 118.331 14.528 6.252 1.00 0.00 O ATOM 1656 CB MET A 100 120.956 15.146 8.154 1.00 0.00 C ATOM 1657 CG MET A 100 120.380 14.459 9.394 1.00 0.00 C ATOM 1658 SD MET A 100 119.827 15.713 10.576 1.00 0.00 S ATOM 1659 CE MET A 100 121.128 15.455 11.806 1.00 0.00 C ATOM 0 H MET A 100 122.634 14.902 6.474 1.00 0.00 H new ATOM 0 HA MET A 100 120.327 13.304 7.165 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.036 15.255 8.255 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.542 16.150 8.056 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.546 13.816 9.112 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.135 13.820 9.852 1.00 0.00 H new ATOM 0 HE1 MET A 100 120.980 16.139 12.641 1.00 0.00 H new ATOM 0 HE2 MET A 100 121.089 14.427 12.167 1.00 0.00 H new ATOM 0 HE3 MET A 100 122.101 15.643 11.352 1.00 0.00 H new ATOM 1669 N TYR A 101 119.741 15.951 5.352 1.00 0.00 N ATOM 1670 CA TYR A 101 118.654 16.606 4.569 1.00 0.00 C ATOM 1671 C TYR A 101 117.992 15.587 3.638 1.00 0.00 C ATOM 1672 O TYR A 101 116.873 15.764 3.201 1.00 0.00 O ATOM 1673 CB TYR A 101 119.352 17.700 3.759 1.00 0.00 C ATOM 1674 CG TYR A 101 119.880 18.762 4.694 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.015 19.396 5.592 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.235 19.113 4.661 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.504 20.382 6.459 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.724 20.098 5.527 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.858 20.733 6.426 1.00 0.00 C ATOM 1680 OH TYR A 101 121.340 21.704 7.279 1.00 0.00 O ATOM 0 H TYR A 101 120.672 16.345 5.217 1.00 0.00 H new ATOM 0 HA TYR A 101 117.869 17.012 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.170 17.272 3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.654 18.141 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.970 19.125 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.903 18.624 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.836 20.871 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.769 20.368 5.502 1.00 0.00 H new ATOM 0 HH TYR A 101 122.300 21.825 7.127 1.00 0.00 H new ATOM 1690 N ALA A 102 118.679 14.519 3.333 1.00 0.00 N ATOM 1691 CA ALA A 102 118.095 13.486 2.430 1.00 0.00 C ATOM 1692 C ALA A 102 117.182 12.547 3.219 1.00 0.00 C ATOM 1693 O ALA A 102 116.113 12.181 2.775 1.00 0.00 O ATOM 1694 CB ALA A 102 119.298 12.720 1.876 1.00 0.00 C ATOM 0 H ALA A 102 119.620 14.317 3.671 1.00 0.00 H new ATOM 0 HA ALA A 102 117.489 13.926 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.952 11.939 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.949 13.407 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.852 12.268 2.699 1.00 0.00 H new ATOM 1700 N VAL A 103 117.602 12.150 4.385 1.00 0.00 N ATOM 1701 CA VAL A 103 116.764 11.231 5.207 1.00 0.00 C ATOM 1702 C VAL A 103 115.592 11.995 5.828 1.00 0.00 C ATOM 1703 O VAL A 103 114.614 11.412 6.251 1.00 0.00 O ATOM 1704 CB VAL A 103 117.694 10.702 6.303 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.114 9.410 6.880 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.079 10.416 5.716 1.00 0.00 C ATOM 0 H VAL A 103 118.490 12.421 4.807 1.00 0.00 H new ATOM 0 HA VAL A 103 116.341 10.424 4.610 1.00 0.00 H new ATOM 0 HB VAL A 103 117.783 11.451 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.774 9.031 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.130 9.610 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.024 8.666 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.736 10.040 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.992 9.670 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.496 11.335 5.303 1.00 0.00 H new ATOM 1716 N GLN A 104 115.685 13.295 5.893 1.00 0.00 N ATOM 1717 CA GLN A 104 114.579 14.090 6.494 1.00 0.00 C ATOM 1718 C GLN A 104 113.627 14.599 5.407 1.00 0.00 C ATOM 1719 O GLN A 104 112.456 14.814 5.651 1.00 0.00 O ATOM 1720 CB GLN A 104 115.269 15.258 7.198 1.00 0.00 C ATOM 1721 CG GLN A 104 116.119 14.727 8.355 1.00 0.00 C ATOM 1722 CD GLN A 104 115.435 15.057 9.682 1.00 0.00 C ATOM 1723 OE1 GLN A 104 114.242 14.876 9.825 1.00 0.00 O ATOM 1724 NE2 GLN A 104 116.145 15.536 10.667 1.00 0.00 N ATOM 0 H GLN A 104 116.479 13.840 5.556 1.00 0.00 H new ATOM 0 HA GLN A 104 113.975 13.497 7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.896 15.803 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.525 15.961 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.250 13.649 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.113 15.173 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 104 117.146 15.688 10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 104 115.698 15.758 11.557 1.00 0.00 H new ATOM 1733 N THR A 105 114.113 14.794 4.212 1.00 0.00 N ATOM 1734 CA THR A 105 113.222 15.288 3.122 1.00 0.00 C ATOM 1735 C THR A 105 112.148 14.244 2.807 1.00 0.00 C ATOM 1736 O THR A 105 111.165 14.526 2.151 1.00 0.00 O ATOM 1737 CB THR A 105 114.140 15.496 1.916 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.393 16.054 0.844 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.731 14.155 1.485 1.00 0.00 C ATOM 0 H THR A 105 115.084 14.634 3.943 1.00 0.00 H new ATOM 0 HA THR A 105 112.703 16.206 3.398 1.00 0.00 H new ATOM 0 HB THR A 105 114.948 16.175 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 105 113.981 16.189 0.071 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.385 14.305 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.305 13.729 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.925 13.473 1.213 1.00 0.00 H new ATOM 1747 N LEU A 106 112.331 13.039 3.272 1.00 0.00 N ATOM 1748 CA LEU A 106 111.325 11.969 3.006 1.00 0.00 C ATOM 1749 C LEU A 106 110.003 12.306 3.692 1.00 0.00 C ATOM 1750 O LEU A 106 108.937 11.997 3.199 1.00 0.00 O ATOM 1751 CB LEU A 106 111.929 10.710 3.620 1.00 0.00 C ATOM 1752 CG LEU A 106 112.700 9.936 2.547 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.190 8.605 3.123 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.776 9.666 1.356 1.00 0.00 C ATOM 0 H LEU A 106 113.136 12.747 3.826 1.00 0.00 H new ATOM 0 HA LEU A 106 111.114 11.853 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.595 10.977 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.142 10.084 4.040 1.00 0.00 H new ATOM 0 HG LEU A 106 113.557 10.525 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.738 8.057 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.846 8.796 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.335 8.014 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.322 9.115 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.920 9.078 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.428 10.613 0.943 1.00 0.00 H new ATOM 1766 N LYS A 107 110.066 12.929 4.833 1.00 0.00 N ATOM 1767 CA LYS A 107 108.815 13.287 5.563 1.00 0.00 C ATOM 1768 C LYS A 107 107.993 14.298 4.753 1.00 0.00 C ATOM 1769 O LYS A 107 106.840 14.544 5.043 1.00 0.00 O ATOM 1770 CB LYS A 107 109.287 13.909 6.877 1.00 0.00 C ATOM 1771 CG LYS A 107 109.844 15.310 6.611 1.00 0.00 C ATOM 1772 CD LYS A 107 108.771 16.355 6.923 1.00 0.00 C ATOM 1773 CE LYS A 107 108.844 17.487 5.894 1.00 0.00 C ATOM 1774 NZ LYS A 107 108.195 18.652 6.558 1.00 0.00 N ATOM 0 H LYS A 107 110.931 13.208 5.295 1.00 0.00 H new ATOM 0 HA LYS A 107 108.174 12.421 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 107 108.459 13.964 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.054 13.282 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 107 110.726 15.485 7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.159 15.396 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 107 107.783 15.894 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.917 16.753 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.876 17.710 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 107 108.326 17.218 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 108.206 19.469 5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 107.211 18.412 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.714 18.889 7.428 1.00 0.00 H new ATOM 1987 N VAL A 121 102.639 8.155 5.319 1.00 0.00 N ATOM 1988 CA VAL A 121 103.055 8.357 6.736 1.00 0.00 C ATOM 1989 C VAL A 121 104.062 7.279 7.146 1.00 0.00 C ATOM 1990 O VAL A 121 105.063 7.554 7.777 1.00 0.00 O ATOM 1991 CB VAL A 121 101.762 8.235 7.547 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.379 6.764 7.712 1.00 0.00 C ATOM 1993 CG2 VAL A 121 101.964 8.870 8.925 1.00 0.00 C ATOM 0 HA VAL A 121 103.542 9.319 6.896 1.00 0.00 H new ATOM 0 HB VAL A 121 100.960 8.751 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.458 6.690 8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.228 6.315 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.178 6.236 8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.044 8.784 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 121 102.771 8.356 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.221 9.923 8.806 1.00 0.00 H new ATOM 2003 N ASN A 122 103.799 6.055 6.787 1.00 0.00 N ATOM 2004 CA ASN A 122 104.736 4.952 7.150 1.00 0.00 C ATOM 2005 C ASN A 122 106.172 5.341 6.781 1.00 0.00 C ATOM 2006 O ASN A 122 107.076 5.258 7.589 1.00 0.00 O ATOM 2007 CB ASN A 122 104.276 3.753 6.319 1.00 0.00 C ATOM 2008 CG ASN A 122 103.646 2.704 7.238 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.171 1.620 7.389 1.00 0.00 O ATOM 2010 ND2 ASN A 122 102.535 2.985 7.863 1.00 0.00 N ATOM 0 H ASN A 122 102.976 5.768 6.257 1.00 0.00 H new ATOM 0 HA ASN A 122 104.728 4.735 8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.554 4.074 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.122 3.322 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.107 2.293 8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.095 3.896 7.736 1.00 0.00 H new ATOM 2017 N VAL A 123 106.384 5.772 5.567 1.00 0.00 N ATOM 2018 CA VAL A 123 107.757 6.172 5.142 1.00 0.00 C ATOM 2019 C VAL A 123 108.128 7.522 5.765 1.00 0.00 C ATOM 2020 O VAL A 123 109.287 7.870 5.872 1.00 0.00 O ATOM 2021 CB VAL A 123 107.672 6.282 3.618 1.00 0.00 C ATOM 2022 CG1 VAL A 123 106.918 7.558 3.237 1.00 0.00 C ATOM 2023 CG2 VAL A 123 109.083 6.328 3.027 1.00 0.00 C ATOM 0 H VAL A 123 105.665 5.865 4.850 1.00 0.00 H new ATOM 0 HA VAL A 123 108.520 5.460 5.458 1.00 0.00 H new ATOM 0 HB VAL A 123 107.142 5.415 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 123 106.858 7.635 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 123 105.912 7.524 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 123 107.446 8.425 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 123 109.020 6.406 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.615 7.193 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 123 109.619 5.418 3.295 1.00 0.00 H new ATOM 2033 N ARG A 124 107.154 8.285 6.176 1.00 0.00 N ATOM 2034 CA ARG A 124 107.456 9.610 6.791 1.00 0.00 C ATOM 2035 C ARG A 124 108.142 9.425 8.145 1.00 0.00 C ATOM 2036 O ARG A 124 109.287 9.787 8.330 1.00 0.00 O ATOM 2037 CB ARG A 124 106.096 10.285 6.965 1.00 0.00 C ATOM 2038 CG ARG A 124 106.265 11.575 7.770 1.00 0.00 C ATOM 2039 CD ARG A 124 104.901 12.039 8.283 1.00 0.00 C ATOM 2040 NE ARG A 124 104.959 13.526 8.237 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.962 14.233 8.695 1.00 0.00 C ATOM 2042 NH1 ARG A 124 103.427 13.934 9.847 1.00 0.00 N ATOM 2043 NH2 ARG A 124 103.502 15.237 8.002 1.00 0.00 N ATOM 0 H ARG A 124 106.163 8.050 6.113 1.00 0.00 H new ATOM 0 HA ARG A 124 108.131 10.205 6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.661 10.506 5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.407 9.612 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.942 11.408 8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.713 12.349 7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 124 104.093 11.656 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.718 11.682 9.297 1.00 0.00 H new ATOM 0 HE ARG A 124 105.778 13.992 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.788 13.149 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 124 102.648 14.486 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.921 15.470 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 124 102.723 15.789 8.360 1.00 0.00 H new ATOM 2057 N GLU A 125 107.446 8.866 9.093 1.00 0.00 N ATOM 2058 CA GLU A 125 108.048 8.656 10.441 1.00 0.00 C ATOM 2059 C GLU A 125 109.256 7.720 10.348 1.00 0.00 C ATOM 2060 O GLU A 125 110.177 7.800 11.136 1.00 0.00 O ATOM 2061 CB GLU A 125 106.937 8.018 11.276 1.00 0.00 C ATOM 2062 CG GLU A 125 106.493 6.709 10.619 1.00 0.00 C ATOM 2063 CD GLU A 125 107.287 5.544 11.211 1.00 0.00 C ATOM 2064 OE1 GLU A 125 107.974 5.760 12.196 1.00 0.00 O ATOM 2065 OE2 GLU A 125 107.196 4.454 10.670 1.00 0.00 O ATOM 0 H GLU A 125 106.483 8.544 8.994 1.00 0.00 H new ATOM 0 HA GLU A 125 108.406 9.587 10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.292 7.827 12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 125 106.092 8.701 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.426 6.554 10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 125 106.650 6.759 9.542 1.00 0.00 H new ATOM 2072 N LYS A 126 109.262 6.830 9.393 1.00 0.00 N ATOM 2073 CA LYS A 126 110.413 5.894 9.256 1.00 0.00 C ATOM 2074 C LYS A 126 111.701 6.679 9.003 1.00 0.00 C ATOM 2075 O LYS A 126 112.653 6.589 9.752 1.00 0.00 O ATOM 2076 CB LYS A 126 110.072 5.019 8.052 1.00 0.00 C ATOM 2077 CG LYS A 126 111.144 3.941 7.881 1.00 0.00 C ATOM 2078 CD LYS A 126 110.762 2.704 8.697 1.00 0.00 C ATOM 2079 CE LYS A 126 111.536 2.703 10.018 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.403 1.494 9.953 1.00 0.00 N ATOM 0 H LYS A 126 108.520 6.711 8.703 1.00 0.00 H new ATOM 0 HA LYS A 126 110.574 5.300 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.095 4.556 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.010 5.630 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.245 3.678 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.112 4.321 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 126 109.690 2.701 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.986 1.799 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.130 3.610 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 126 110.860 2.659 10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 112.966 1.423 10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 111.809 0.646 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.040 1.567 9.134 1.00 0.00 H new ATOM 2094 N ALA A 127 111.738 7.452 7.953 1.00 0.00 N ATOM 2095 CA ALA A 127 112.963 8.245 7.654 1.00 0.00 C ATOM 2096 C ALA A 127 113.382 9.047 8.889 1.00 0.00 C ATOM 2097 O ALA A 127 114.551 9.164 9.198 1.00 0.00 O ATOM 2098 CB ALA A 127 112.557 9.185 6.519 1.00 0.00 C ATOM 0 H ALA A 127 110.973 7.569 7.289 1.00 0.00 H new ATOM 0 HA ALA A 127 113.809 7.615 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.408 9.806 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.237 8.599 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.736 9.822 6.850 1.00 0.00 H new ATOM 2104 N LYS A 128 112.436 9.602 9.595 1.00 0.00 N ATOM 2105 CA LYS A 128 112.778 10.400 10.808 1.00 0.00 C ATOM 2106 C LYS A 128 113.442 9.509 11.863 1.00 0.00 C ATOM 2107 O LYS A 128 114.341 9.928 12.564 1.00 0.00 O ATOM 2108 CB LYS A 128 111.439 10.929 11.322 1.00 0.00 C ATOM 2109 CG LYS A 128 111.651 11.647 12.657 1.00 0.00 C ATOM 2110 CD LYS A 128 110.527 11.273 13.625 1.00 0.00 C ATOM 2111 CE LYS A 128 110.257 12.444 14.571 1.00 0.00 C ATOM 2112 NZ LYS A 128 109.069 13.136 13.996 1.00 0.00 N ATOM 0 H LYS A 128 111.440 9.538 9.385 1.00 0.00 H new ATOM 0 HA LYS A 128 113.480 11.204 10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 128 111.003 11.613 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.735 10.106 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.616 11.371 13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 128 111.668 12.726 12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.623 11.024 13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 128 110.804 10.387 14.196 1.00 0.00 H new ATOM 0 HE2 LYS A 128 110.059 12.095 15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 128 111.116 13.113 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 108.821 13.953 14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 109.290 13.463 13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 108.266 12.476 13.962 1.00 0.00 H new ATOM 2126 N GLN A 129 113.004 8.286 11.983 1.00 0.00 N ATOM 2127 CA GLN A 129 113.609 7.373 12.997 1.00 0.00 C ATOM 2128 C GLN A 129 115.090 7.140 12.689 1.00 0.00 C ATOM 2129 O GLN A 129 115.937 7.272 13.548 1.00 0.00 O ATOM 2130 CB GLN A 129 112.824 6.067 12.877 1.00 0.00 C ATOM 2131 CG GLN A 129 112.309 5.653 14.257 1.00 0.00 C ATOM 2132 CD GLN A 129 111.162 4.653 14.096 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.352 3.463 14.256 1.00 0.00 O ATOM 2134 NE2 GLN A 129 109.972 5.087 13.785 1.00 0.00 N ATOM 0 H GLN A 129 112.254 7.879 11.424 1.00 0.00 H new ATOM 0 HA GLN A 129 113.558 7.788 14.004 1.00 0.00 H new ATOM 0 HB2 GLN A 129 111.989 6.194 12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.461 5.284 12.465 1.00 0.00 H new ATOM 0 HG2 GLN A 129 113.115 5.207 14.839 1.00 0.00 H new ATOM 0 HG3 GLN A 129 111.967 6.530 14.807 1.00 0.00 H new ATOM 0 HE21 GLN A 129 109.812 6.085 13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 129 109.201 4.428 13.676 1.00 0.00 H new ATOM 2143 N LEU A 130 115.415 6.796 11.473 1.00 0.00 N ATOM 2144 CA LEU A 130 116.849 6.561 11.135 1.00 0.00 C ATOM 2145 C LEU A 130 117.666 7.812 11.461 1.00 0.00 C ATOM 2146 O LEU A 130 118.837 7.737 11.778 1.00 0.00 O ATOM 2147 CB LEU A 130 116.873 6.277 9.633 1.00 0.00 C ATOM 2148 CG LEU A 130 118.149 5.508 9.286 1.00 0.00 C ATOM 2149 CD1 LEU A 130 117.806 4.319 8.387 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.121 6.437 8.554 1.00 0.00 C ATOM 0 H LEU A 130 114.757 6.668 10.704 1.00 0.00 H new ATOM 0 HA LEU A 130 117.279 5.735 11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 130 115.996 5.697 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.834 7.212 9.074 1.00 0.00 H new ATOM 0 HG LEU A 130 118.612 5.145 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 130 118.717 3.773 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 130 117.115 3.656 8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.341 4.679 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.031 5.890 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 130 118.656 6.801 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.369 7.282 9.196 1.00 0.00 H new ATOM 2162 N VAL A 131 117.055 8.962 11.394 1.00 0.00 N ATOM 2163 CA VAL A 131 117.788 10.219 11.709 1.00 0.00 C ATOM 2164 C VAL A 131 117.904 10.383 13.226 1.00 0.00 C ATOM 2165 O VAL A 131 118.825 10.996 13.729 1.00 0.00 O ATOM 2166 CB VAL A 131 116.935 11.337 11.113 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.453 12.691 11.601 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.022 11.280 9.588 1.00 0.00 C ATOM 0 H VAL A 131 116.076 9.085 11.134 1.00 0.00 H new ATOM 0 HA VAL A 131 118.800 10.224 11.305 1.00 0.00 H new ATOM 0 HB VAL A 131 115.899 11.211 11.426 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.844 13.488 11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.396 12.732 12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.489 12.819 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.414 12.077 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.059 11.407 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.655 10.315 9.238 1.00 0.00 H new ATOM 2178 N ALA A 132 116.971 9.836 13.958 1.00 0.00 N ATOM 2179 CA ALA A 132 117.016 9.953 15.443 1.00 0.00 C ATOM 2180 C ALA A 132 118.076 9.011 16.020 1.00 0.00 C ATOM 2181 O ALA A 132 118.987 9.430 16.708 1.00 0.00 O ATOM 2182 CB ALA A 132 115.618 9.540 15.911 1.00 0.00 C ATOM 0 H ALA A 132 116.177 9.312 13.590 1.00 0.00 H new ATOM 0 HA ALA A 132 117.278 10.959 15.771 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.566 9.599 16.998 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.876 10.209 15.476 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.415 8.517 15.593 1.00 0.00 H new ATOM 2188 N LEU A 133 117.964 7.740 15.747 1.00 0.00 N ATOM 2189 CA LEU A 133 118.962 6.767 16.280 1.00 0.00 C ATOM 2190 C LEU A 133 120.384 7.294 16.076 1.00 0.00 C ATOM 2191 O LEU A 133 121.261 7.071 16.886 1.00 0.00 O ATOM 2192 CB LEU A 133 118.743 5.491 15.467 1.00 0.00 C ATOM 2193 CG LEU A 133 118.285 4.365 16.394 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.153 3.581 15.726 1.00 0.00 C ATOM 2195 CD2 LEU A 133 119.460 3.425 16.670 1.00 0.00 C ATOM 0 H LEU A 133 117.223 7.332 15.177 1.00 0.00 H new ATOM 0 HA LEU A 133 118.839 6.598 17.350 1.00 0.00 H new ATOM 0 HB2 LEU A 133 117.996 5.665 14.693 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.666 5.207 14.961 1.00 0.00 H new ATOM 0 HG LEU A 133 117.928 4.789 17.332 1.00 0.00 H new ATOM 0 HD11 LEU A 133 116.827 2.778 16.387 1.00 0.00 H new ATOM 0 HD12 LEU A 133 116.316 4.250 15.527 1.00 0.00 H new ATOM 0 HD13 LEU A 133 117.509 3.156 14.788 1.00 0.00 H new ATOM 0 HD21 LEU A 133 119.135 2.621 17.331 1.00 0.00 H new ATOM 0 HD22 LEU A 133 119.815 3.001 15.731 1.00 0.00 H new ATOM 0 HD23 LEU A 133 120.268 3.982 17.145 1.00 0.00 H new ATOM 2207 N LEU A 134 120.623 7.988 14.996 1.00 0.00 N ATOM 2208 CA LEU A 134 121.991 8.523 14.743 1.00 0.00 C ATOM 2209 C LEU A 134 122.196 9.841 15.495 1.00 0.00 C ATOM 2210 O LEU A 134 123.283 10.147 15.945 1.00 0.00 O ATOM 2211 CB LEU A 134 122.053 8.751 13.233 1.00 0.00 C ATOM 2212 CG LEU A 134 122.481 7.456 12.541 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.293 6.867 11.777 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.619 7.754 11.562 1.00 0.00 C ATOM 0 H LEU A 134 119.931 8.207 14.279 1.00 0.00 H new ATOM 0 HA LEU A 134 122.769 7.841 15.086 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.079 9.070 12.862 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.759 9.549 13.003 1.00 0.00 H new ATOM 0 HG LEU A 134 122.822 6.740 13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.599 5.944 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.482 6.655 12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 134 120.951 7.582 11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.925 6.832 11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.278 8.470 10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.466 8.173 12.105 1.00 0.00 H new