USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 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 74 ASN : amide:sc= -0.136 X(o=0.00075,f=-0.0092) USER MOD Set 1.2: A 76 THR OG1 : rot 91:sc= 0.136 USER MOD Single : A 33 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.024) USER MOD Single : A 42 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 44 GLN : amide:sc= -4.22! C(o=-4.2!,f=-8.7!) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0.277 (180deg=0.018) USER MOD Single : A 54 THR OG1 : rot 18:sc= 0.774 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0935) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -0.0427 (180deg=-0.573) USER MOD Single : A 72 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.025) USER MOD Single : A 73 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.55) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 85 CYS SG : rot -122:sc= -1.53 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -3.64 K(o=-3.6,f=-5.7!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= -0.0134 (180deg=-0.224) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.532 -9.332 6.296 1.00 0.00 N ATOM 368 CA LEU A 29 8.981 -8.085 6.907 1.00 0.00 C ATOM 369 C LEU A 29 9.508 -8.330 8.318 1.00 0.00 C ATOM 370 O LEU A 29 8.961 -7.818 9.296 1.00 0.00 O ATOM 371 CB LEU A 29 7.835 -7.070 6.943 1.00 0.00 C ATOM 372 CG LEU A 29 7.283 -6.668 5.572 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.811 -7.037 5.457 1.00 0.00 C ATOM 374 CD2 LEU A 29 7.480 -5.178 5.333 1.00 0.00 C ATOM 0 HA LEU A 29 9.793 -7.683 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.021 -7.484 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.180 -6.173 7.456 1.00 0.00 H new ATOM 0 HG LEU A 29 7.834 -7.215 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.438 -6.743 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.695 -8.114 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.244 -6.519 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.082 -4.911 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.956 -4.613 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.543 -4.941 5.369 1.00 0.00 H new ATOM 386 N PHE A 30 10.575 -9.116 8.416 1.00 0.00 N ATOM 387 CA PHE A 30 11.177 -9.428 9.706 1.00 0.00 C ATOM 388 C PHE A 30 12.187 -8.358 10.110 1.00 0.00 C ATOM 389 O PHE A 30 12.399 -8.108 11.297 1.00 0.00 O ATOM 390 CB PHE A 30 11.859 -10.797 9.657 1.00 0.00 C ATOM 391 CG PHE A 30 12.393 -11.250 10.987 1.00 0.00 C ATOM 392 CD1 PHE A 30 11.572 -11.281 12.103 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.713 -11.647 11.119 1.00 0.00 C ATOM 394 CE1 PHE A 30 12.059 -11.698 13.327 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.207 -12.064 12.340 1.00 0.00 C ATOM 396 CZ PHE A 30 13.378 -12.090 13.446 1.00 0.00 C ATOM 0 H PHE A 30 11.040 -9.548 7.618 1.00 0.00 H new ATOM 0 HA PHE A 30 10.383 -9.452 10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.147 -11.536 9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.678 -10.760 8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.540 -10.976 12.015 1.00 0.00 H new ATOM 0 HD2 PHE A 30 14.364 -11.630 10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.409 -11.717 14.189 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.239 -12.369 12.430 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.761 -12.416 14.402 1.00 0.00 H new ATOM 406 N ASP A 31 12.806 -7.729 9.117 1.00 0.00 N ATOM 407 CA ASP A 31 13.793 -6.686 9.369 1.00 0.00 C ATOM 408 C ASP A 31 13.164 -5.301 9.250 1.00 0.00 C ATOM 409 O ASP A 31 13.796 -4.361 8.769 1.00 0.00 O ATOM 410 CB ASP A 31 14.963 -6.814 8.392 1.00 0.00 C ATOM 411 CG ASP A 31 16.287 -6.431 9.023 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.756 -7.169 9.914 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.855 -5.392 8.626 1.00 0.00 O ATOM 0 H ASP A 31 12.641 -7.924 8.129 1.00 0.00 H new ATOM 0 HA ASP A 31 14.164 -6.810 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.020 -7.840 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.780 -6.180 7.525 1.00 0.00 H new ATOM 418 N PHE A 32 11.916 -5.184 9.690 1.00 0.00 N ATOM 419 CA PHE A 32 11.201 -3.914 9.634 1.00 0.00 C ATOM 420 C PHE A 32 10.379 -3.697 10.900 1.00 0.00 C ATOM 421 O PHE A 32 9.215 -4.090 10.971 1.00 0.00 O ATOM 422 CB PHE A 32 10.289 -3.872 8.406 1.00 0.00 C ATOM 423 CG PHE A 32 10.999 -3.476 7.143 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.811 -4.381 6.477 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.856 -2.201 6.622 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.467 -4.019 5.315 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.509 -1.834 5.460 1.00 0.00 C ATOM 428 CZ PHE A 32 12.316 -2.744 4.806 1.00 0.00 C ATOM 0 H PHE A 32 11.378 -5.953 10.089 1.00 0.00 H new ATOM 0 HA PHE A 32 11.937 -3.114 9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.837 -4.854 8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.476 -3.170 8.591 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.932 -5.380 6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.227 -1.485 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.097 -4.733 4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.388 -0.836 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.828 -2.459 3.899 1.00 0.00 H new ATOM 438 N HIS A 33 10.993 -3.067 11.896 1.00 0.00 N ATOM 439 CA HIS A 33 10.317 -2.797 13.161 1.00 0.00 C ATOM 440 C HIS A 33 9.240 -1.731 12.984 1.00 0.00 C ATOM 441 O HIS A 33 9.355 -0.854 12.129 1.00 0.00 O ATOM 442 CB HIS A 33 11.329 -2.351 14.218 1.00 0.00 C ATOM 443 CG HIS A 33 11.725 -3.443 15.163 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.190 -3.222 16.440 1.00 0.00 N ATOM 445 CD2 HIS A 33 11.717 -4.790 14.996 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.445 -4.413 16.998 1.00 0.00 C ATOM 447 NE2 HIS A 33 12.175 -5.398 16.162 1.00 0.00 N ATOM 0 H HIS A 33 11.956 -2.734 11.853 1.00 0.00 H new ATOM 0 HA HIS A 33 9.838 -3.718 13.495 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.221 -1.972 13.719 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.907 -1.523 14.788 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.405 -5.308 14.101 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.822 -4.549 18.001 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.280 -6.398 16.334 1.00 0.00 H new ATOM 455 N ILE A 34 8.194 -1.814 13.799 1.00 0.00 N ATOM 456 CA ILE A 34 7.097 -0.856 13.735 1.00 0.00 C ATOM 457 C ILE A 34 7.504 0.487 14.330 1.00 0.00 C ATOM 458 O ILE A 34 7.870 0.573 15.502 1.00 0.00 O ATOM 459 CB ILE A 34 5.851 -1.378 14.478 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.527 -2.806 14.036 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.664 -0.459 14.231 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.145 -2.915 12.576 1.00 0.00 C ATOM 0 H ILE A 34 8.083 -2.535 14.512 1.00 0.00 H new ATOM 0 HA ILE A 34 6.854 -0.724 12.681 1.00 0.00 H new ATOM 0 HB ILE A 34 6.062 -1.388 15.547 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.392 -3.441 14.225 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.710 -3.190 14.647 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.792 -0.841 14.762 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.898 0.543 14.591 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.450 -0.420 13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.929 -3.955 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.261 -2.307 12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.970 -2.562 11.957 1.00 0.00 H new ATOM 474 N GLY A 35 7.437 1.535 13.515 1.00 0.00 N ATOM 475 CA GLY A 35 7.801 2.860 13.978 1.00 0.00 C ATOM 476 C GLY A 35 9.048 3.391 13.300 1.00 0.00 C ATOM 477 O GLY A 35 9.772 4.208 13.869 1.00 0.00 O ATOM 0 H GLY A 35 7.137 1.489 12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.973 3.545 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.961 2.833 15.056 1.00 0.00 H new ATOM 481 N ASP A 36 9.300 2.927 12.080 1.00 0.00 N ATOM 482 CA ASP A 36 10.469 3.360 11.323 1.00 0.00 C ATOM 483 C ASP A 36 10.065 3.862 9.940 1.00 0.00 C ATOM 484 O ASP A 36 9.125 3.350 9.333 1.00 0.00 O ATOM 485 CB ASP A 36 11.471 2.213 11.189 1.00 0.00 C ATOM 486 CG ASP A 36 12.078 1.816 12.521 1.00 0.00 C ATOM 487 OD1 ASP A 36 11.473 2.132 13.567 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.159 1.191 12.518 1.00 0.00 O ATOM 0 H ASP A 36 8.710 2.251 11.595 1.00 0.00 H new ATOM 0 HA ASP A 36 10.939 4.180 11.866 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.973 1.349 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.266 2.507 10.504 1.00 0.00 H new ATOM 493 N ARG A 37 10.781 4.868 9.449 1.00 0.00 N ATOM 494 CA ARG A 37 10.497 5.440 8.137 1.00 0.00 C ATOM 495 C ARG A 37 10.634 4.385 7.044 1.00 0.00 C ATOM 496 O ARG A 37 11.524 3.536 7.095 1.00 0.00 O ATOM 497 CB ARG A 37 11.439 6.610 7.853 1.00 0.00 C ATOM 498 CG ARG A 37 10.909 7.951 8.338 1.00 0.00 C ATOM 499 CD ARG A 37 11.328 9.086 7.417 1.00 0.00 C ATOM 500 NE ARG A 37 12.029 10.145 8.139 1.00 0.00 N ATOM 501 CZ ARG A 37 11.416 11.075 8.869 1.00 0.00 C ATOM 502 NH1 ARG A 37 10.092 11.080 8.976 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.128 12.003 9.493 1.00 0.00 N ATOM 0 H ARG A 37 11.562 5.304 9.939 1.00 0.00 H new ATOM 0 HA ARG A 37 9.469 5.803 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.400 6.415 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.620 6.667 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.821 7.913 8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.277 8.145 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.973 8.695 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.446 9.502 6.929 1.00 0.00 H new ATOM 0 HE ARG A 37 13.047 10.174 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.539 10.369 8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.628 11.795 9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.145 12.005 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.659 12.715 10.052 1.00 0.00 H new ATOM 517 N VAL A 38 9.746 4.444 6.058 1.00 0.00 N ATOM 518 CA VAL A 38 9.768 3.493 4.953 1.00 0.00 C ATOM 519 C VAL A 38 9.259 4.132 3.666 1.00 0.00 C ATOM 520 O VAL A 38 8.470 5.075 3.698 1.00 0.00 O ATOM 521 CB VAL A 38 8.915 2.249 5.266 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.518 1.464 6.420 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.481 2.649 5.575 1.00 0.00 C ATOM 0 H VAL A 38 9.002 5.140 6.001 1.00 0.00 H new ATOM 0 HA VAL A 38 10.806 3.189 4.819 1.00 0.00 H new ATOM 0 HB VAL A 38 8.907 1.606 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.902 0.589 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.526 1.144 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.560 2.096 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.894 1.757 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.467 3.314 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.053 3.163 4.714 1.00 0.00 H new ATOM 533 N LEU A 39 9.718 3.610 2.533 1.00 0.00 N ATOM 534 CA LEU A 39 9.309 4.127 1.231 1.00 0.00 C ATOM 535 C LEU A 39 8.455 3.107 0.486 1.00 0.00 C ATOM 536 O LEU A 39 8.917 2.014 0.163 1.00 0.00 O ATOM 537 CB LEU A 39 10.538 4.488 0.395 1.00 0.00 C ATOM 538 CG LEU A 39 10.310 5.578 -0.654 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.739 6.830 -0.008 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.608 5.896 -1.381 1.00 0.00 C ATOM 0 H LEU A 39 10.373 2.829 2.490 1.00 0.00 H new ATOM 0 HA LEU A 39 8.712 5.024 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.333 4.812 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.893 3.589 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 39 9.588 5.209 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.584 7.594 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.787 6.593 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.436 7.202 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.428 6.673 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.351 6.245 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.976 4.998 -1.877 1.00 0.00 H new ATOM 552 N ILE A 40 7.205 3.472 0.220 1.00 0.00 N ATOM 553 CA ILE A 40 6.286 2.587 -0.486 1.00 0.00 C ATOM 554 C ILE A 40 6.550 2.603 -1.989 1.00 0.00 C ATOM 555 O ILE A 40 6.325 3.612 -2.657 1.00 0.00 O ATOM 556 CB ILE A 40 4.819 2.979 -0.230 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.570 3.158 1.269 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.880 1.930 -0.807 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.190 3.688 1.594 1.00 0.00 C ATOM 0 H ILE A 40 6.806 4.373 0.482 1.00 0.00 H new ATOM 0 HA ILE A 40 6.458 1.582 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 40 4.621 3.928 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.709 2.200 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.317 3.840 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.847 2.222 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.042 1.848 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.077 0.967 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.084 3.790 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.054 4.661 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.437 2.995 1.219 1.00 0.00 H new ATOM 571 N GLY A 41 7.028 1.479 -2.512 1.00 0.00 N ATOM 572 CA GLY A 41 7.315 1.384 -3.931 1.00 0.00 C ATOM 573 C GLY A 41 8.375 2.372 -4.380 1.00 0.00 C ATOM 574 O GLY A 41 8.446 2.721 -5.558 1.00 0.00 O ATOM 0 H GLY A 41 7.222 0.632 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.645 0.372 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.399 1.558 -4.496 1.00 0.00 H new ATOM 578 N ASN A 42 9.201 2.823 -3.440 1.00 0.00 N ATOM 579 CA ASN A 42 10.263 3.775 -3.746 1.00 0.00 C ATOM 580 C ASN A 42 9.697 5.034 -4.399 1.00 0.00 C ATOM 581 O ASN A 42 10.212 5.505 -5.414 1.00 0.00 O ATOM 582 CB ASN A 42 11.303 3.132 -4.664 1.00 0.00 C ATOM 583 CG ASN A 42 12.383 2.401 -3.891 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.571 2.697 -4.028 1.00 0.00 O ATOM 585 ND2 ASN A 42 11.975 1.438 -3.073 1.00 0.00 N ATOM 0 H ASN A 42 9.155 2.544 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 42 10.742 4.060 -2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.807 2.434 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.762 3.902 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.656 0.910 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.981 1.226 -2.990 1.00 0.00 H new ATOM 592 N VAL A 43 8.636 5.574 -3.809 1.00 0.00 N ATOM 593 CA VAL A 43 8.001 6.777 -4.334 1.00 0.00 C ATOM 594 C VAL A 43 7.131 7.447 -3.274 1.00 0.00 C ATOM 595 O VAL A 43 7.159 8.666 -3.115 1.00 0.00 O ATOM 596 CB VAL A 43 7.139 6.460 -5.572 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.021 5.492 -5.216 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.576 7.739 -6.175 1.00 0.00 C ATOM 0 H VAL A 43 8.198 5.198 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 43 8.800 7.459 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 43 7.774 5.983 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.425 5.282 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.450 4.564 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.386 5.936 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.971 7.494 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.958 8.248 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.396 8.392 -6.474 1.00 0.00 H new ATOM 608 N GLN A 44 6.358 6.641 -2.554 1.00 0.00 N ATOM 609 CA GLN A 44 5.478 7.156 -1.510 1.00 0.00 C ATOM 610 C GLN A 44 6.118 7.001 -0.131 1.00 0.00 C ATOM 611 O GLN A 44 6.090 5.919 0.455 1.00 0.00 O ATOM 612 CB GLN A 44 4.134 6.427 -1.546 1.00 0.00 C ATOM 613 CG GLN A 44 3.080 7.135 -2.382 1.00 0.00 C ATOM 614 CD GLN A 44 1.680 6.952 -1.830 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.465 6.190 -0.888 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.716 7.653 -2.417 1.00 0.00 N ATOM 0 H GLN A 44 6.323 5.629 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 44 5.315 8.217 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.285 5.423 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.763 6.316 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.312 8.199 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.117 6.756 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.938 8.274 -3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.246 7.571 -2.089 1.00 0.00 H new ATOM 625 N PRO A 45 6.705 8.084 0.410 1.00 0.00 N ATOM 626 CA PRO A 45 7.350 8.055 1.727 1.00 0.00 C ATOM 627 C PRO A 45 6.342 7.925 2.863 1.00 0.00 C ATOM 628 O PRO A 45 5.189 8.336 2.735 1.00 0.00 O ATOM 629 CB PRO A 45 8.068 9.403 1.803 1.00 0.00 C ATOM 630 CG PRO A 45 7.289 10.295 0.899 1.00 0.00 C ATOM 631 CD PRO A 45 6.788 9.419 -0.214 1.00 0.00 C ATOM 0 HA PRO A 45 8.014 7.197 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.083 9.787 2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.105 9.318 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.460 10.763 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.914 11.100 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.817 9.752 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.469 9.423 -1.065 1.00 0.00 H new ATOM 639 N GLY A 46 6.785 7.348 3.976 1.00 0.00 N ATOM 640 CA GLY A 46 5.910 7.174 5.120 1.00 0.00 C ATOM 641 C GLY A 46 6.591 6.454 6.267 1.00 0.00 C ATOM 642 O GLY A 46 7.818 6.367 6.312 1.00 0.00 O ATOM 0 H GLY A 46 7.734 6.998 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.565 8.150 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.027 6.612 4.816 1.00 0.00 H new ATOM 646 N ILE A 47 5.794 5.936 7.195 1.00 0.00 N ATOM 647 CA ILE A 47 6.327 5.219 8.347 1.00 0.00 C ATOM 648 C ILE A 47 5.624 3.879 8.533 1.00 0.00 C ATOM 649 O ILE A 47 4.397 3.800 8.492 1.00 0.00 O ATOM 650 CB ILE A 47 6.182 6.045 9.640 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.682 7.475 9.419 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.939 5.380 10.780 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.582 8.513 9.476 1.00 0.00 C ATOM 0 H ILE A 47 4.776 5.999 7.172 1.00 0.00 H new ATOM 0 HA ILE A 47 7.385 5.048 8.151 1.00 0.00 H new ATOM 0 HB ILE A 47 5.127 6.090 9.909 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.432 7.710 10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.176 7.533 8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.827 5.975 11.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.537 4.381 10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.995 5.307 10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.007 9.503 9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.843 8.302 8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.103 8.482 10.455 1.00 0.00 H new ATOM 665 N LEU A 48 6.410 2.827 8.738 1.00 0.00 N ATOM 666 CA LEU A 48 5.862 1.490 8.932 1.00 0.00 C ATOM 667 C LEU A 48 5.111 1.397 10.256 1.00 0.00 C ATOM 668 O LEU A 48 5.722 1.345 11.324 1.00 0.00 O ATOM 669 CB LEU A 48 6.979 0.446 8.889 1.00 0.00 C ATOM 670 CG LEU A 48 6.518 -1.001 9.067 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.117 -1.601 7.728 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.615 -1.832 9.718 1.00 0.00 C ATOM 0 H LEU A 48 7.428 2.875 8.774 1.00 0.00 H new ATOM 0 HA LEU A 48 5.159 1.291 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.499 0.531 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.704 0.679 9.669 1.00 0.00 H new ATOM 0 HG LEU A 48 5.646 -1.008 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.792 -2.631 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.301 -1.020 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.971 -1.583 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.271 -2.859 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.504 -1.818 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.856 -1.414 10.695 1.00 0.00 H new ATOM 684 N ARG A 49 3.785 1.379 10.180 1.00 0.00 N ATOM 685 CA ARG A 49 2.951 1.293 11.372 1.00 0.00 C ATOM 686 C ARG A 49 2.519 -0.146 11.634 1.00 0.00 C ATOM 687 O ARG A 49 2.329 -0.549 12.782 1.00 0.00 O ATOM 688 CB ARG A 49 1.720 2.189 11.224 1.00 0.00 C ATOM 689 CG ARG A 49 2.044 3.674 11.230 1.00 0.00 C ATOM 690 CD ARG A 49 2.330 4.178 12.635 1.00 0.00 C ATOM 691 NE ARG A 49 1.512 5.339 12.979 1.00 0.00 N ATOM 692 CZ ARG A 49 1.297 5.753 14.226 1.00 0.00 C ATOM 693 NH1 ARG A 49 1.837 5.105 15.249 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.540 6.819 14.449 1.00 0.00 N ATOM 0 H ARG A 49 3.264 1.423 9.304 1.00 0.00 H new ATOM 0 HA ARG A 49 3.541 1.635 12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.210 1.941 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.025 1.974 12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.908 3.861 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.209 4.231 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.143 3.378 13.352 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.385 4.441 12.718 1.00 0.00 H new ATOM 0 HE ARG A 49 1.080 5.864 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.420 4.285 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.669 5.427 16.202 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.123 7.321 13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.375 7.137 15.404 1.00 0.00 H new ATOM 708 N PHE A 50 2.363 -0.916 10.562 1.00 0.00 N ATOM 709 CA PHE A 50 1.951 -2.310 10.676 1.00 0.00 C ATOM 710 C PHE A 50 2.596 -3.157 9.583 1.00 0.00 C ATOM 711 O PHE A 50 3.085 -2.631 8.584 1.00 0.00 O ATOM 712 CB PHE A 50 0.428 -2.422 10.593 1.00 0.00 C ATOM 713 CG PHE A 50 -0.082 -3.826 10.746 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.080 -4.511 11.939 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.725 -4.461 9.695 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.388 -5.804 12.082 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.196 -5.753 9.832 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.027 -6.425 11.026 1.00 0.00 C ATOM 0 H PHE A 50 2.516 -0.598 9.605 1.00 0.00 H new ATOM 0 HA PHE A 50 2.283 -2.684 11.645 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.016 -1.797 11.367 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.095 -2.026 9.634 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.578 -4.029 12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.859 -3.940 8.758 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.254 -6.328 13.017 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.696 -6.237 9.006 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.394 -7.435 11.135 1.00 0.00 H new ATOM 728 N LYS A 51 2.593 -4.472 9.780 1.00 0.00 N ATOM 729 CA LYS A 51 3.176 -5.391 8.811 1.00 0.00 C ATOM 730 C LYS A 51 2.859 -6.839 9.173 1.00 0.00 C ATOM 731 O LYS A 51 3.449 -7.402 10.095 1.00 0.00 O ATOM 732 CB LYS A 51 4.691 -5.193 8.735 1.00 0.00 C ATOM 733 CG LYS A 51 5.373 -5.181 10.095 1.00 0.00 C ATOM 734 CD LYS A 51 6.337 -6.346 10.250 1.00 0.00 C ATOM 735 CE LYS A 51 6.570 -6.687 11.712 1.00 0.00 C ATOM 736 NZ LYS A 51 5.737 -7.842 12.151 1.00 0.00 N ATOM 0 H LYS A 51 2.193 -4.924 10.602 1.00 0.00 H new ATOM 0 HA LYS A 51 2.739 -5.175 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.123 -5.989 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.901 -4.253 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.912 -4.243 10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.619 -5.225 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.941 -7.219 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.287 -6.098 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.624 -6.919 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.340 -5.818 12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.472 -7.719 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.877 -7.892 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.280 -8.722 12.043 1.00 0.00 H new ATOM 750 N GLY A 52 1.924 -7.435 8.441 1.00 0.00 N ATOM 751 CA GLY A 52 1.544 -8.811 8.701 1.00 0.00 C ATOM 752 C GLY A 52 0.337 -9.242 7.892 1.00 0.00 C ATOM 753 O GLY A 52 -0.143 -8.498 7.036 1.00 0.00 O ATOM 0 H GLY A 52 1.423 -6.990 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.384 -9.466 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.327 -8.930 9.763 1.00 0.00 H new ATOM 757 N GLU A 53 -0.155 -10.446 8.162 1.00 0.00 N ATOM 758 CA GLU A 53 -1.314 -10.975 7.452 1.00 0.00 C ATOM 759 C GLU A 53 -2.595 -10.287 7.913 1.00 0.00 C ATOM 760 O GLU A 53 -2.769 -10.007 9.099 1.00 0.00 O ATOM 761 CB GLU A 53 -1.426 -12.485 7.669 1.00 0.00 C ATOM 762 CG GLU A 53 -0.154 -13.245 7.327 1.00 0.00 C ATOM 763 CD GLU A 53 0.613 -13.681 8.560 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.016 -14.238 9.484 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.843 -13.465 8.601 1.00 0.00 O ATOM 0 H GLU A 53 0.230 -11.074 8.867 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.179 -10.777 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.684 -12.676 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.245 -12.871 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.408 -14.122 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.486 -12.615 6.709 1.00 0.00 H new ATOM 772 N THR A 54 -3.490 -10.018 6.967 1.00 0.00 N ATOM 773 CA THR A 54 -4.755 -9.363 7.275 1.00 0.00 C ATOM 774 C THR A 54 -5.927 -10.314 7.060 1.00 0.00 C ATOM 775 O THR A 54 -5.738 -11.476 6.700 1.00 0.00 O ATOM 776 CB THR A 54 -4.931 -8.114 6.409 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.702 -8.414 5.044 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.002 -6.983 6.793 1.00 0.00 C ATOM 0 H THR A 54 -3.362 -10.244 5.981 1.00 0.00 H new ATOM 0 HA THR A 54 -4.737 -9.069 8.325 1.00 0.00 H new ATOM 0 HB THR A 54 -5.958 -7.790 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.767 -9.382 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.179 -6.129 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.189 -6.694 7.827 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.968 -7.311 6.689 1.00 0.00 H new ATOM 786 N SER A 55 -7.139 -9.813 7.283 1.00 0.00 N ATOM 787 CA SER A 55 -8.342 -10.620 7.114 1.00 0.00 C ATOM 788 C SER A 55 -8.955 -10.398 5.735 1.00 0.00 C ATOM 789 O SER A 55 -9.402 -11.343 5.085 1.00 0.00 O ATOM 790 CB SER A 55 -9.365 -10.281 8.199 1.00 0.00 C ATOM 791 OG SER A 55 -10.478 -11.156 8.143 1.00 0.00 O ATOM 0 H SER A 55 -7.313 -8.853 7.581 1.00 0.00 H new ATOM 0 HA SER A 55 -8.062 -11.669 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.895 -10.348 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.702 -9.251 8.077 1.00 0.00 H new ATOM 0 HG SER A 55 -11.116 -10.919 8.848 1.00 0.00 H new ATOM 797 N PHE A 56 -8.973 -9.145 5.294 1.00 0.00 N ATOM 798 CA PHE A 56 -9.532 -8.799 3.992 1.00 0.00 C ATOM 799 C PHE A 56 -8.778 -9.507 2.871 1.00 0.00 C ATOM 800 O PHE A 56 -9.354 -9.835 1.833 1.00 0.00 O ATOM 801 CB PHE A 56 -9.483 -7.285 3.778 1.00 0.00 C ATOM 802 CG PHE A 56 -8.141 -6.680 4.074 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.137 -6.686 3.118 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.883 -6.104 5.308 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.901 -6.129 3.388 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.649 -5.546 5.583 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.656 -5.559 4.622 1.00 0.00 C ATOM 0 H PHE A 56 -8.607 -8.351 5.819 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.571 -9.128 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.753 -7.063 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.233 -6.812 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.323 -7.131 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.655 -6.091 6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.127 -6.140 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.461 -5.100 6.548 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.691 -5.124 4.835 1.00 0.00 H new ATOM 817 N ALA A 57 -7.487 -9.740 3.087 1.00 0.00 N ATOM 818 CA ALA A 57 -6.655 -10.409 2.094 1.00 0.00 C ATOM 819 C ALA A 57 -5.429 -11.043 2.742 1.00 0.00 C ATOM 820 O ALA A 57 -4.768 -10.427 3.579 1.00 0.00 O ATOM 821 CB ALA A 57 -6.234 -9.427 1.012 1.00 0.00 C ATOM 0 H ALA A 57 -6.995 -9.475 3.940 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.244 -11.205 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.613 -9.939 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.120 -9.025 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.666 -8.612 1.461 1.00 0.00 H new ATOM 827 N LYS A 58 -5.130 -12.278 2.350 1.00 0.00 N ATOM 828 CA LYS A 58 -3.984 -12.996 2.892 1.00 0.00 C ATOM 829 C LYS A 58 -2.676 -12.336 2.464 1.00 0.00 C ATOM 830 O LYS A 58 -2.680 -11.340 1.740 1.00 0.00 O ATOM 831 CB LYS A 58 -4.005 -14.455 2.434 1.00 0.00 C ATOM 832 CG LYS A 58 -4.258 -14.621 0.943 1.00 0.00 C ATOM 833 CD LYS A 58 -3.215 -15.517 0.295 1.00 0.00 C ATOM 834 CE LYS A 58 -3.403 -15.587 -1.213 1.00 0.00 C ATOM 835 NZ LYS A 58 -3.040 -14.305 -1.877 1.00 0.00 N ATOM 0 H LYS A 58 -5.667 -12.802 1.658 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.049 -12.963 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.052 -14.920 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.777 -14.990 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.250 -15.045 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.249 -13.644 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.218 -15.140 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.281 -16.519 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.790 -16.392 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.441 -15.832 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.001 -14.446 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.755 -13.583 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.110 -13.989 -1.536 1.00 0.00 H new ATOM 849 N GLY A 59 -1.560 -12.899 2.914 1.00 0.00 N ATOM 850 CA GLY A 59 -0.261 -12.353 2.568 1.00 0.00 C ATOM 851 C GLY A 59 0.146 -11.205 3.470 1.00 0.00 C ATOM 852 O GLY A 59 -0.676 -10.668 4.211 1.00 0.00 O ATOM 0 H GLY A 59 -1.532 -13.724 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.489 -13.142 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.279 -12.009 1.534 1.00 0.00 H new ATOM 856 N PHE A 60 1.420 -10.828 3.408 1.00 0.00 N ATOM 857 CA PHE A 60 1.935 -9.737 4.226 1.00 0.00 C ATOM 858 C PHE A 60 1.377 -8.396 3.759 1.00 0.00 C ATOM 859 O PHE A 60 1.348 -8.108 2.561 1.00 0.00 O ATOM 860 CB PHE A 60 3.464 -9.713 4.179 1.00 0.00 C ATOM 861 CG PHE A 60 4.110 -10.376 5.362 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.404 -9.649 6.505 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.423 -11.725 5.332 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.998 -10.255 7.596 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.017 -12.337 6.420 1.00 0.00 C ATOM 866 CZ PHE A 60 5.306 -11.601 7.552 1.00 0.00 C ATOM 0 H PHE A 60 2.114 -11.263 2.800 1.00 0.00 H new ATOM 0 HA PHE A 60 1.614 -9.904 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.799 -10.207 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.802 -8.678 4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.166 -8.596 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.200 -12.305 4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.221 -9.678 8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.255 -13.390 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.772 -12.077 8.402 1.00 0.00 H new ATOM 876 N TRP A 61 0.936 -7.581 4.710 1.00 0.00 N ATOM 877 CA TRP A 61 0.379 -6.270 4.397 1.00 0.00 C ATOM 878 C TRP A 61 0.869 -5.222 5.391 1.00 0.00 C ATOM 879 O TRP A 61 0.502 -5.247 6.566 1.00 0.00 O ATOM 880 CB TRP A 61 -1.149 -6.326 4.410 1.00 0.00 C ATOM 881 CG TRP A 61 -1.725 -7.115 3.274 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.234 -8.380 3.329 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.846 -6.691 1.911 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.667 -8.769 2.084 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.440 -7.749 1.197 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.514 -5.520 1.225 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.706 -7.670 -0.168 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.778 -5.443 -0.130 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.369 -6.512 -0.813 1.00 0.00 C ATOM 0 H TRP A 61 0.953 -7.805 5.705 1.00 0.00 H new ATOM 0 HA TRP A 61 0.716 -5.987 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.481 -6.763 5.352 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.543 -5.310 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.289 -8.987 4.221 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.088 -9.670 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.059 -4.689 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.162 -8.493 -0.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.524 -4.543 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.563 -6.421 -1.871 1.00 0.00 H new ATOM 900 N ALA A 62 1.702 -4.304 4.912 1.00 0.00 N ATOM 901 CA ALA A 62 2.243 -3.249 5.759 1.00 0.00 C ATOM 902 C ALA A 62 1.464 -1.950 5.587 1.00 0.00 C ATOM 903 O ALA A 62 1.399 -1.394 4.491 1.00 0.00 O ATOM 904 CB ALA A 62 3.716 -3.027 5.450 1.00 0.00 C ATOM 0 H ALA A 62 2.017 -4.270 3.942 1.00 0.00 H new ATOM 0 HA ALA A 62 2.144 -3.566 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.107 -2.236 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.269 -3.948 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.829 -2.737 4.405 1.00 0.00 H new ATOM 910 N GLY A 63 0.874 -1.471 6.678 1.00 0.00 N ATOM 911 CA GLY A 63 0.108 -0.239 6.627 1.00 0.00 C ATOM 912 C GLY A 63 0.952 0.980 6.938 1.00 0.00 C ATOM 913 O GLY A 63 1.007 1.431 8.081 1.00 0.00 O ATOM 0 H GLY A 63 0.913 -1.914 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.332 -0.129 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.716 -0.297 7.338 1.00 0.00 H new ATOM 917 N VAL A 64 1.613 1.515 5.916 1.00 0.00 N ATOM 918 CA VAL A 64 2.460 2.689 6.083 1.00 0.00 C ATOM 919 C VAL A 64 1.623 3.956 6.232 1.00 0.00 C ATOM 920 O VAL A 64 0.576 4.097 5.601 1.00 0.00 O ATOM 921 CB VAL A 64 3.423 2.860 4.894 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.423 3.972 5.171 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.139 1.552 4.594 1.00 0.00 C ATOM 0 H VAL A 64 1.578 1.153 4.963 1.00 0.00 H new ATOM 0 HA VAL A 64 3.041 2.533 6.992 1.00 0.00 H new ATOM 0 HB VAL A 64 2.840 3.138 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.095 4.078 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.890 4.909 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.002 3.727 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.815 1.692 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.710 1.241 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.406 0.784 4.347 1.00 0.00 H new ATOM 933 N GLU A 65 2.095 4.874 7.068 1.00 0.00 N ATOM 934 CA GLU A 65 1.392 6.131 7.299 1.00 0.00 C ATOM 935 C GLU A 65 2.040 7.267 6.515 1.00 0.00 C ATOM 936 O GLU A 65 3.072 7.805 6.919 1.00 0.00 O ATOM 937 CB GLU A 65 1.382 6.467 8.791 1.00 0.00 C ATOM 938 CG GLU A 65 0.536 7.682 9.136 1.00 0.00 C ATOM 939 CD GLU A 65 1.007 8.382 10.396 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.120 8.948 10.380 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.263 8.362 11.399 1.00 0.00 O ATOM 0 H GLU A 65 2.961 4.772 7.597 1.00 0.00 H new ATOM 0 HA GLU A 65 0.365 6.014 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.010 5.606 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.406 6.642 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.560 8.385 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.502 7.373 9.263 1.00 0.00 H new ATOM 948 N LEU A 66 1.430 7.627 5.391 1.00 0.00 N ATOM 949 CA LEU A 66 1.948 8.699 4.549 1.00 0.00 C ATOM 950 C LEU A 66 1.875 10.041 5.269 1.00 0.00 C ATOM 951 O LEU A 66 0.981 10.272 6.084 1.00 0.00 O ATOM 952 CB LEU A 66 1.165 8.769 3.236 1.00 0.00 C ATOM 953 CG LEU A 66 1.105 7.459 2.448 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.345 7.655 1.146 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.508 6.938 2.175 1.00 0.00 C ATOM 0 H LEU A 66 0.576 7.192 5.042 1.00 0.00 H new ATOM 0 HA LEU A 66 2.993 8.481 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.147 9.091 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.613 9.536 2.604 1.00 0.00 H new ATOM 0 HG LEU A 66 0.574 6.719 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.312 6.713 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.671 7.984 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.848 8.409 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.447 6.006 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.063 7.675 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.020 6.759 3.120 1.00 0.00 H new ATOM 967 N ASP A 67 2.820 10.924 4.962 1.00 0.00 N ATOM 968 CA ASP A 67 2.862 12.244 5.579 1.00 0.00 C ATOM 969 C ASP A 67 1.734 13.126 5.053 1.00 0.00 C ATOM 970 O ASP A 67 1.229 13.995 5.765 1.00 0.00 O ATOM 971 CB ASP A 67 4.215 12.909 5.317 1.00 0.00 C ATOM 972 CG ASP A 67 4.862 13.424 6.588 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.489 14.528 7.039 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.742 12.725 7.133 1.00 0.00 O ATOM 0 H ASP A 67 3.567 10.749 4.290 1.00 0.00 H new ATOM 0 HA ASP A 67 2.729 12.121 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.882 12.193 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.081 13.736 4.620 1.00 0.00 H new ATOM 979 N LYS A 68 1.343 12.896 3.804 1.00 0.00 N ATOM 980 CA LYS A 68 0.274 13.669 3.182 1.00 0.00 C ATOM 981 C LYS A 68 -0.944 12.789 2.909 1.00 0.00 C ATOM 982 O LYS A 68 -0.838 11.563 2.869 1.00 0.00 O ATOM 983 CB LYS A 68 0.766 14.299 1.877 1.00 0.00 C ATOM 984 CG LYS A 68 1.548 15.587 2.081 1.00 0.00 C ATOM 985 CD LYS A 68 0.811 16.787 1.505 1.00 0.00 C ATOM 986 CE LYS A 68 0.855 16.794 -0.015 1.00 0.00 C ATOM 987 NZ LYS A 68 -0.449 16.394 -0.611 1.00 0.00 N ATOM 0 H LYS A 68 1.751 12.180 3.202 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.019 14.461 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.395 13.581 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.091 14.502 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.722 15.743 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.526 15.498 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.226 16.773 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.256 17.706 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.124 17.790 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.635 16.114 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.601 16.917 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.442 15.373 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.217 16.612 0.056 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.124 13.406 2.717 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.363 12.670 2.448 1.00 0.00 C ATOM 1003 C PRO A 69 -3.365 12.024 1.066 1.00 0.00 C ATOM 1004 O PRO A 69 -4.015 12.512 0.141 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.445 13.749 2.538 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.738 15.021 2.217 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.340 14.865 2.747 1.00 0.00 C ATOM 0 HA PRO A 69 -3.507 11.846 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.255 13.557 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.889 13.783 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.730 15.202 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.238 15.872 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.614 15.391 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.246 15.264 3.757 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.633 10.923 0.933 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.549 10.208 -0.335 1.00 0.00 C ATOM 1017 C GLU A 70 -3.156 8.813 -0.216 1.00 0.00 C ATOM 1018 O GLU A 70 -3.796 8.323 -1.145 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.093 10.106 -0.792 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.576 11.368 -1.463 1.00 0.00 C ATOM 1021 CD GLU A 70 -1.114 11.541 -2.871 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -2.318 11.841 -3.013 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -0.331 11.377 -3.830 1.00 0.00 O ATOM 0 H GLU A 70 -2.089 10.506 1.688 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.117 10.769 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.465 9.880 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.996 9.270 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.854 12.234 -0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.513 11.338 -1.495 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.950 8.180 0.935 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.482 6.849 1.154 1.00 0.00 C ATOM 1032 C GLY A 71 -4.991 6.798 1.024 1.00 0.00 C ATOM 1033 O GLY A 71 -5.607 7.725 0.496 1.00 0.00 O ATOM 0 H GLY A 71 -2.424 8.566 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.035 6.160 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.194 6.505 2.148 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.590 5.712 1.504 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.036 5.544 1.438 1.00 0.00 C ATOM 1039 C ASN A 72 -7.552 4.772 2.648 1.00 0.00 C ATOM 1040 O ASN A 72 -8.539 4.042 2.557 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.428 4.817 0.150 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.773 3.455 0.034 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.416 2.425 0.237 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.486 3.442 -0.293 1.00 0.00 N ATOM 0 H ASN A 72 -5.095 4.936 1.943 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.491 6.534 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.511 4.700 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.147 5.427 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.992 2.554 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.991 4.320 -0.452 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.876 4.938 3.781 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.267 4.256 5.010 1.00 0.00 C ATOM 1053 C ASN A 73 -6.808 5.039 6.235 1.00 0.00 C ATOM 1054 O ASN A 73 -5.900 5.865 6.151 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.681 2.844 5.042 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.467 1.872 4.186 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.671 1.692 4.375 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.789 1.235 3.238 1.00 0.00 N ATOM 0 H ASN A 73 -6.056 5.538 3.873 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.355 4.190 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.648 2.875 4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.662 2.485 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.265 0.567 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.792 1.414 3.116 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.443 4.774 7.373 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.099 5.455 8.616 1.00 0.00 C ATOM 1067 C ASN A 74 -6.602 4.461 9.662 1.00 0.00 C ATOM 1068 O ASN A 74 -6.764 4.676 10.862 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.311 6.216 9.156 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.487 5.304 9.445 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.718 4.913 10.589 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.236 4.958 8.404 1.00 0.00 N ATOM 0 H ASN A 74 -8.198 4.093 7.460 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.298 6.163 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.029 6.741 10.069 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.612 6.974 8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.040 4.344 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.007 5.306 7.473 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.996 3.372 9.198 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.485 2.365 10.107 1.00 0.00 C ATOM 1081 C GLY A 75 -6.461 1.225 10.322 1.00 0.00 C ATOM 1082 O GLY A 75 -6.056 0.074 10.487 1.00 0.00 O ATOM 0 H GLY A 75 -5.850 3.170 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.549 1.968 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.257 2.829 11.067 1.00 0.00 H new ATOM 1086 N THR A 76 -7.752 1.545 10.320 1.00 0.00 N ATOM 1087 CA THR A 76 -8.788 0.538 10.516 1.00 0.00 C ATOM 1088 C THR A 76 -9.316 0.029 9.179 1.00 0.00 C ATOM 1089 O THR A 76 -9.979 0.761 8.444 1.00 0.00 O ATOM 1090 CB THR A 76 -9.937 1.115 11.346 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.479 2.169 12.173 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.605 0.090 12.237 1.00 0.00 C ATOM 0 H THR A 76 -8.104 2.493 10.185 1.00 0.00 H new ATOM 0 HA THR A 76 -8.346 -0.302 11.052 1.00 0.00 H new ATOM 0 HB THR A 76 -10.667 1.472 10.619 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.564 3.020 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.410 0.565 12.798 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.014 -0.713 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.872 -0.321 12.932 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.019 -1.229 8.872 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.466 -1.836 7.623 1.00 0.00 C ATOM 1102 C TYR A 77 -10.731 -2.659 7.841 1.00 0.00 C ATOM 1103 O TYR A 77 -10.678 -3.771 8.365 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.362 -2.720 7.039 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.476 -2.924 5.546 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.549 -3.618 4.999 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.511 -2.421 4.681 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.656 -3.806 3.635 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.612 -2.606 3.315 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.685 -3.298 2.798 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.789 -3.484 1.438 1.00 0.00 O ATOM 0 H TYR A 77 -8.471 -1.848 9.470 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.692 -1.036 6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.394 -2.273 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.387 -3.691 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.312 -4.017 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.669 -1.877 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.496 -4.348 3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.853 -2.210 2.656 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.025 -3.064 0.991 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.869 -2.104 7.436 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.150 -2.786 7.587 1.00 0.00 C ATOM 1123 C ASP A 78 -13.461 -3.038 9.061 1.00 0.00 C ATOM 1124 O ASP A 78 -14.133 -4.010 9.405 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.140 -4.109 6.818 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.893 -4.019 5.505 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -15.054 -3.555 5.518 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -13.324 -4.412 4.465 1.00 0.00 O ATOM 0 H ASP A 78 -11.930 -1.184 7.001 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.929 -2.143 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.109 -4.405 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.585 -4.889 7.436 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.968 -2.156 9.924 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.206 -2.302 11.349 1.00 0.00 C ATOM 1135 C GLY A 79 -11.977 -2.779 12.097 1.00 0.00 C ATOM 1136 O GLY A 79 -11.814 -2.490 13.283 1.00 0.00 O ATOM 0 H GLY A 79 -12.409 -1.344 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.529 -1.346 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.021 -3.008 11.507 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.112 -3.513 11.406 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.893 -4.032 12.014 1.00 0.00 C ATOM 1142 C ILE A 80 -8.859 -2.927 12.200 1.00 0.00 C ATOM 1143 O ILE A 80 -8.194 -2.518 11.248 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.276 -5.160 11.164 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.343 -6.190 10.791 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.131 -5.823 11.916 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.916 -6.927 11.981 1.00 0.00 C ATOM 0 H ILE A 80 -11.233 -3.762 10.424 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.172 -4.434 12.988 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.880 -4.728 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.152 -5.687 10.262 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.911 -6.914 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.705 -6.618 11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.362 -5.082 12.135 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.505 -6.245 12.849 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.666 -7.641 11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.118 -7.459 12.498 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.378 -6.213 12.663 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.727 -2.449 13.433 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.774 -1.391 13.744 1.00 0.00 C ATOM 1161 C ALA A 81 -6.367 -1.954 13.921 1.00 0.00 C ATOM 1162 O ALA A 81 -6.157 -2.898 14.682 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.205 -0.643 14.997 1.00 0.00 C ATOM 0 H ALA A 81 -9.268 -2.778 14.233 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.757 -0.694 12.906 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.484 0.144 15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.188 -0.200 14.836 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.252 -1.337 15.837 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.407 -1.367 13.213 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.021 -1.810 13.290 1.00 0.00 C ATOM 1171 C TYR A 82 -3.122 -0.695 13.815 1.00 0.00 C ATOM 1172 O TYR A 82 -2.253 -0.927 14.655 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.532 -2.271 11.915 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.115 -3.596 11.480 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.775 -4.774 12.133 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.005 -3.669 10.416 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.305 -5.988 11.737 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.540 -4.880 10.015 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.187 -6.035 10.678 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.717 -7.241 10.282 1.00 0.00 O ATOM 0 H TYR A 82 -5.565 -0.583 12.580 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.973 -2.649 13.984 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.785 -1.512 11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.445 -2.350 11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.085 -4.741 12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.284 -2.766 9.893 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.030 -6.895 12.255 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.231 -4.920 9.186 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.321 -7.100 9.523 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.337 0.517 13.313 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.547 1.668 13.731 1.00 0.00 C ATOM 1192 C PHE A 83 -3.389 2.940 13.715 1.00 0.00 C ATOM 1193 O PHE A 83 -4.485 2.964 13.155 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.330 1.836 12.819 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.672 1.844 11.357 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.971 0.663 10.696 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.695 3.031 10.643 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.286 0.667 9.350 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.009 3.041 9.297 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.305 1.857 8.650 1.00 0.00 C ATOM 0 H PHE A 83 -4.052 0.727 12.616 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.206 1.492 14.751 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.824 2.768 13.070 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.625 1.028 13.015 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.958 -0.271 11.239 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.465 3.960 11.144 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.517 -0.260 8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.023 3.973 8.752 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.551 1.862 7.598 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.870 3.995 14.333 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.574 5.271 14.390 1.00 0.00 C ATOM 1212 C GLU A 84 -2.985 6.264 13.392 1.00 0.00 C ATOM 1213 O GLU A 84 -1.769 6.433 13.315 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.508 5.851 15.804 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.319 7.125 15.978 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.096 7.778 17.327 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.923 7.913 17.735 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -5.094 8.155 17.977 1.00 0.00 O ATOM 0 H GLU A 84 -1.964 3.992 14.802 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.616 5.094 14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.866 5.103 16.512 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.467 6.056 16.056 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.055 7.830 15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.378 6.896 15.860 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.857 6.917 12.631 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.423 7.895 11.639 1.00 0.00 C ATOM 1227 C CYS A 85 -4.597 8.740 11.158 1.00 0.00 C ATOM 1228 O CYS A 85 -5.710 8.622 11.670 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.766 7.188 10.451 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.877 6.094 9.537 1.00 0.00 S ATOM 0 H CYS A 85 -4.867 6.787 12.682 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.694 8.555 12.109 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.371 7.940 9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.917 6.607 10.812 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.390 4.889 9.530 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.341 9.591 10.170 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.376 10.457 9.618 1.00 0.00 C ATOM 1238 C LYS A 86 -6.495 9.634 8.988 1.00 0.00 C ATOM 1239 O LYS A 86 -6.505 8.407 9.080 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.775 11.406 8.579 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.467 12.790 9.127 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.075 12.853 9.734 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.548 14.277 9.774 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.700 14.888 11.124 1.00 0.00 N ATOM 0 H LYS A 86 -3.425 9.699 9.735 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.798 11.044 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.858 10.967 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.467 11.501 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.550 13.526 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.207 13.056 9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.099 12.444 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.395 12.229 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.496 14.283 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.080 14.882 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.329 15.859 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.706 14.906 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.171 14.326 11.821 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.437 10.319 8.347 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.561 9.652 7.700 1.00 0.00 C ATOM 1260 C GLU A 87 -8.113 8.938 6.430 1.00 0.00 C ATOM 1261 O GLU A 87 -8.487 7.791 6.186 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.661 10.664 7.373 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.800 10.671 8.380 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.413 12.047 8.557 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.648 13.019 8.728 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.657 12.151 8.525 1.00 0.00 O ATOM 0 H GLU A 87 -7.444 11.335 8.262 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.957 8.907 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.223 11.661 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.063 10.444 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.571 9.973 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.432 10.315 9.342 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.310 9.623 5.622 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.812 9.054 4.376 1.00 0.00 C ATOM 1275 C LYS A 88 -5.303 9.243 4.253 1.00 0.00 C ATOM 1276 O LYS A 88 -4.825 9.946 3.363 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.519 9.695 3.180 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.998 9.354 3.092 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.630 9.929 1.835 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.466 11.161 2.143 1.00 0.00 C ATOM 1281 NZ LYS A 88 -10.280 12.229 1.123 1.00 0.00 N ATOM 0 H LYS A 88 -6.990 10.574 5.809 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.024 7.985 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.407 10.778 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.026 9.374 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.124 8.271 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.514 9.742 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.849 10.188 1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.256 9.172 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.519 10.883 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.195 11.547 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.867 13.051 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.280 12.513 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.563 11.870 0.189 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.559 8.609 5.153 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.103 8.706 5.146 1.00 0.00 C ATOM 1297 C HIS A 89 -2.465 7.321 5.158 1.00 0.00 C ATOM 1298 O HIS A 89 -1.506 7.061 4.431 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.619 9.515 6.350 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.550 10.988 6.092 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.404 11.740 6.232 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.518 11.852 5.695 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.705 13.008 5.921 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.975 13.130 5.588 1.00 0.00 N ATOM 0 H HIS A 89 -4.939 8.023 5.896 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.802 9.216 4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.287 9.333 7.192 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.631 9.159 6.643 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.489 11.393 6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.546 11.590 5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.999 13.825 5.941 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.004 6.433 5.988 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.474 5.086 6.079 1.00 0.00 C ATOM 1314 C GLY A 90 -2.803 4.250 4.857 1.00 0.00 C ATOM 1315 O GLY A 90 -3.924 4.296 4.350 1.00 0.00 O ATOM 0 H GLY A 90 -3.798 6.623 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.392 5.132 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.877 4.600 6.967 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.824 3.484 4.385 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.018 2.635 3.215 1.00 0.00 C ATOM 1321 C ILE A 91 -1.344 1.279 3.404 1.00 0.00 C ATOM 1322 O ILE A 91 -0.193 1.201 3.835 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.466 3.304 1.939 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.769 2.445 0.710 1.00 0.00 C ATOM 1325 CG2 ILE A 91 0.031 3.545 2.068 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.822 3.234 -0.581 1.00 0.00 C ATOM 0 H ILE A 91 -0.891 3.434 4.794 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.092 2.489 3.101 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.959 4.268 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.008 1.670 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.723 1.939 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.403 4.017 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.222 4.197 2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.541 2.593 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.041 2.561 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.603 3.992 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.860 3.718 -0.751 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.068 0.214 3.076 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.541 -1.139 3.209 1.00 0.00 C ATOM 1340 C PHE A 92 -0.932 -1.618 1.895 1.00 0.00 C ATOM 1341 O PHE A 92 -1.645 -1.863 0.921 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.646 -2.099 3.651 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.322 -1.691 4.930 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.297 -0.707 4.929 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.980 -2.290 6.130 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.919 -0.329 6.104 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.599 -1.917 7.308 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.570 -0.935 7.296 1.00 0.00 C ATOM 0 H PHE A 92 -3.021 0.262 2.716 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.758 -1.123 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.394 -2.168 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.222 -3.095 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.574 -0.230 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.221 -3.058 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.678 0.440 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.324 -2.393 8.237 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.055 -0.642 8.215 1.00 0.00 H new ATOM 1358 N ALA A 93 0.391 -1.750 1.873 1.00 0.00 N ATOM 1359 CA ALA A 93 1.095 -2.199 0.679 1.00 0.00 C ATOM 1360 C ALA A 93 1.886 -3.476 0.955 1.00 0.00 C ATOM 1361 O ALA A 93 2.375 -3.684 2.066 1.00 0.00 O ATOM 1362 CB ALA A 93 2.019 -1.104 0.169 1.00 0.00 C ATOM 0 H ALA A 93 0.996 -1.552 2.670 1.00 0.00 H new ATOM 0 HA ALA A 93 0.354 -2.421 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.539 -1.453 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.433 -0.218 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.748 -0.855 0.940 1.00 0.00 H new ATOM 1368 N PRO A 94 2.023 -4.350 -0.056 1.00 0.00 N ATOM 1369 CA PRO A 94 2.760 -5.612 0.085 1.00 0.00 C ATOM 1370 C PRO A 94 4.166 -5.401 0.639 1.00 0.00 C ATOM 1371 O PRO A 94 4.692 -4.288 0.612 1.00 0.00 O ATOM 1372 CB PRO A 94 2.824 -6.149 -1.346 1.00 0.00 C ATOM 1373 CG PRO A 94 1.655 -5.538 -2.035 1.00 0.00 C ATOM 1374 CD PRO A 94 1.473 -4.180 -1.414 1.00 0.00 C ATOM 0 HA PRO A 94 2.276 -6.291 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.759 -5.870 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.768 -7.237 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.833 -5.456 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.762 -6.149 -1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.006 -3.409 -1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.423 -3.887 -1.389 1.00 0.00 H new ATOM 1382 N PRO A 95 4.798 -6.473 1.148 1.00 0.00 N ATOM 1383 CA PRO A 95 6.152 -6.402 1.709 1.00 0.00 C ATOM 1384 C PRO A 95 7.177 -5.921 0.688 1.00 0.00 C ATOM 1385 O PRO A 95 8.094 -5.171 1.020 1.00 0.00 O ATOM 1386 CB PRO A 95 6.452 -7.848 2.127 1.00 0.00 C ATOM 1387 CG PRO A 95 5.474 -8.685 1.376 1.00 0.00 C ATOM 1388 CD PRO A 95 4.246 -7.835 1.218 1.00 0.00 C ATOM 0 HA PRO A 95 6.210 -5.690 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.477 -8.124 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.337 -7.978 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.874 -8.978 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.247 -9.603 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.689 -8.092 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.563 -7.952 2.059 1.00 0.00 H new ATOM 1396 N GLN A 96 7.014 -6.358 -0.556 1.00 0.00 N ATOM 1397 CA GLN A 96 7.926 -5.972 -1.627 1.00 0.00 C ATOM 1398 C GLN A 96 7.962 -4.456 -1.798 1.00 0.00 C ATOM 1399 O GLN A 96 8.958 -3.896 -2.255 1.00 0.00 O ATOM 1400 CB GLN A 96 7.509 -6.635 -2.943 1.00 0.00 C ATOM 1401 CG GLN A 96 6.043 -6.431 -3.289 1.00 0.00 C ATOM 1402 CD GLN A 96 5.702 -6.907 -4.687 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.586 -7.252 -5.470 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.413 -6.928 -5.006 1.00 0.00 N ATOM 0 H GLN A 96 6.259 -6.979 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 96 8.926 -6.311 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.123 -6.238 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.714 -7.704 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.425 -6.965 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.796 -5.373 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.714 -6.633 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.122 -7.239 -5.933 1.00 0.00 H new ATOM 1413 N LYS A 97 6.869 -3.795 -1.427 1.00 0.00 N ATOM 1414 CA LYS A 97 6.778 -2.345 -1.541 1.00 0.00 C ATOM 1415 C LYS A 97 7.093 -1.670 -0.209 1.00 0.00 C ATOM 1416 O LYS A 97 6.498 -0.650 0.138 1.00 0.00 O ATOM 1417 CB LYS A 97 5.381 -1.936 -2.014 1.00 0.00 C ATOM 1418 CG LYS A 97 4.990 -2.545 -3.351 1.00 0.00 C ATOM 1419 CD LYS A 97 5.192 -1.562 -4.495 1.00 0.00 C ATOM 1420 CE LYS A 97 3.865 -1.102 -5.075 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.130 -2.216 -5.733 1.00 0.00 N ATOM 0 H LYS A 97 6.035 -4.241 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 97 7.514 -2.019 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.650 -2.232 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.336 -0.850 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.584 -3.441 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.946 -2.856 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.754 -0.698 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.789 -2.030 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.249 -0.680 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.042 -0.306 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.462 -1.828 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.807 -2.842 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.607 -2.758 -5.016 1.00 0.00 H new ATOM 1435 N ILE A 98 8.033 -2.246 0.533 1.00 0.00 N ATOM 1436 CA ILE A 98 8.427 -1.700 1.826 1.00 0.00 C ATOM 1437 C ILE A 98 9.945 -1.675 1.971 1.00 0.00 C ATOM 1438 O ILE A 98 10.572 -2.703 2.225 1.00 0.00 O ATOM 1439 CB ILE A 98 7.825 -2.512 2.989 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.317 -2.677 2.797 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.125 -1.838 4.320 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.551 -1.372 2.870 1.00 0.00 C ATOM 0 H ILE A 98 8.536 -3.091 0.261 1.00 0.00 H new ATOM 0 HA ILE A 98 8.042 -0.681 1.869 1.00 0.00 H new ATOM 0 HB ILE A 98 8.282 -3.501 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.131 -3.144 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.934 -3.357 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.693 -2.425 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.204 -1.769 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.693 -0.837 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.488 -1.565 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.707 -0.913 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.906 -0.697 2.091 1.00 0.00 H new ATOM 1454 N SER A 99 10.531 -0.493 1.807 1.00 0.00 N ATOM 1455 CA SER A 99 11.975 -0.332 1.920 1.00 0.00 C ATOM 1456 C SER A 99 12.321 0.875 2.785 1.00 0.00 C ATOM 1457 O SER A 99 11.461 1.704 3.083 1.00 0.00 O ATOM 1458 CB SER A 99 12.602 -0.177 0.533 1.00 0.00 C ATOM 1459 OG SER A 99 12.563 -1.399 -0.184 1.00 0.00 O ATOM 0 H SER A 99 10.027 0.368 1.595 1.00 0.00 H new ATOM 0 HA SER A 99 12.379 -1.225 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.070 0.593 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.635 0.157 0.633 1.00 0.00 H new ATOM 0 HG SER A 99 12.968 -1.273 -1.067 1.00 0.00 H new ATOM 1465 N HIS A 100 13.584 0.968 3.184 1.00 0.00 N ATOM 1466 CA HIS A 100 14.043 2.074 4.015 1.00 0.00 C ATOM 1467 C HIS A 100 14.295 3.319 3.170 1.00 0.00 C ATOM 1468 O HIS A 100 14.979 3.259 2.148 1.00 0.00 O ATOM 1469 CB HIS A 100 15.319 1.685 4.762 1.00 0.00 C ATOM 1470 CG HIS A 100 15.136 0.529 5.697 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.784 -0.738 5.291 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.266 0.468 7.046 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.710 -1.513 6.382 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.995 -0.829 7.472 1.00 0.00 N ATOM 0 H HIS A 100 14.308 0.291 2.945 1.00 0.00 H new ATOM 0 HA HIS A 100 13.261 2.299 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.093 1.436 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.676 2.546 5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.537 1.294 7.687 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.451 -2.561 6.370 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.013 -1.178 8.430 1.00 0.00 H new ATOM 1482 N ILE A 101 13.739 4.445 3.602 1.00 0.00 N ATOM 1483 CA ILE A 101 13.906 5.702 2.885 1.00 0.00 C ATOM 1484 C ILE A 101 15.368 6.147 2.893 1.00 0.00 C ATOM 1485 O ILE A 101 16.040 6.073 3.921 1.00 0.00 O ATOM 1486 CB ILE A 101 13.035 6.820 3.494 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.583 6.355 3.618 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.123 8.081 2.648 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.660 7.404 4.198 1.00 0.00 C ATOM 0 H ILE A 101 13.169 4.512 4.445 1.00 0.00 H new ATOM 0 HA ILE A 101 13.587 5.526 1.858 1.00 0.00 H new ATOM 0 HB ILE A 101 13.410 7.049 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.217 6.066 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.547 5.464 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.503 8.860 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.158 8.420 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.771 7.867 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.647 7.005 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.001 7.677 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.666 8.287 3.559 1.00 0.00 H new ATOM 1501 N PRO A 102 15.883 6.617 1.742 1.00 0.00 N ATOM 1502 CA PRO A 102 17.273 7.071 1.628 1.00 0.00 C ATOM 1503 C PRO A 102 17.639 8.089 2.703 1.00 0.00 C ATOM 1504 O PRO A 102 16.816 8.917 3.095 1.00 0.00 O ATOM 1505 CB PRO A 102 17.326 7.717 0.242 1.00 0.00 C ATOM 1506 CG PRO A 102 16.240 7.052 -0.529 1.00 0.00 C ATOM 1507 CD PRO A 102 15.155 6.740 0.464 1.00 0.00 C ATOM 0 HA PRO A 102 17.980 6.252 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.167 8.794 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.297 7.563 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.869 7.703 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.603 6.143 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.407 7.532 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.631 5.818 0.210 1.00 0.00 H new