USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 83 LYS NZ :NH3+ 165:sc= 1.19 (180deg=1.11) USER MOD Set 1.2: A 87 GLN : amide:sc= 0.831 K(o=2,f=0.56) USER MOD Set 2.1: A 33 SER OG : rot -46:sc= 1.37 USER MOD Set 2.2: A 35 HIS : no HD1:sc= -1.32 K(o=0.053,f=-2.5) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.35) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 42 MET CE :methyl -165:sc= -0.0574 (180deg=-0.405) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.44) USER MOD Single : A 59 MET CE :methyl -164:sc= -0.066 (180deg=-0.48) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc=-0.00942 (180deg=-0.105) USER MOD Single : A 70 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 76 SER OG : rot -24:sc= 0.377 USER MOD Single : A 78 SER OG : rot 33:sc= 1.42 USER MOD Single : A 80 CYS SG : rot -24:sc= -2.41! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.892 K(o=-0.89,f=-3.3!) USER MOD Single : A 98 MET CE :methyl -124:sc= -1.65 (180deg=-3.29!) USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= -0.0398 (180deg=-0.283) USER MOD Single : A 102 HIS : no HE2:sc=-0.00863 K(o=-0.0086,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.036 3.193 -5.635 1.00 0.00 N ATOM 360 CA PRO A 26 -12.611 3.451 -5.349 1.00 0.00 C ATOM 361 C PRO A 26 -12.230 3.123 -3.896 1.00 0.00 C ATOM 362 O PRO A 26 -12.753 3.722 -2.952 1.00 0.00 O ATOM 363 CB PRO A 26 -12.463 4.954 -5.628 1.00 0.00 C ATOM 364 CG PRO A 26 -13.516 5.249 -6.643 1.00 0.00 C ATOM 365 CD PRO A 26 -14.675 4.337 -6.319 1.00 0.00 C ATOM 0 HA PRO A 26 -11.953 2.826 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.609 5.542 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.469 5.192 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.819 6.295 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.147 5.067 -7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.406 4.830 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.202 4.022 -7.220 1.00 0.00 H new ATOM 373 N MET A 27 -11.312 2.176 -3.721 1.00 0.00 N ATOM 374 CA MET A 27 -10.959 1.680 -2.389 1.00 0.00 C ATOM 375 C MET A 27 -9.521 2.066 -2.014 1.00 0.00 C ATOM 376 O MET A 27 -8.570 1.741 -2.726 1.00 0.00 O ATOM 377 CB MET A 27 -11.141 0.158 -2.343 1.00 0.00 C ATOM 378 CG MET A 27 -10.914 -0.462 -0.972 1.00 0.00 C ATOM 379 SD MET A 27 -11.242 -2.238 -0.964 1.00 0.00 S ATOM 380 CE MET A 27 -10.847 -2.656 0.733 1.00 0.00 C ATOM 0 H MET A 27 -10.798 1.735 -4.484 1.00 0.00 H new ATOM 0 HA MET A 27 -11.622 2.143 -1.658 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.150 -0.085 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.453 -0.299 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.885 -0.283 -0.660 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.558 0.028 -0.242 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.002 -3.723 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.806 -2.406 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.493 -2.093 1.406 1.00 0.00 H new ATOM 390 N ARG A 28 -9.371 2.762 -0.894 1.00 0.00 N ATOM 391 CA ARG A 28 -8.058 3.217 -0.432 1.00 0.00 C ATOM 392 C ARG A 28 -7.539 2.332 0.716 1.00 0.00 C ATOM 393 O ARG A 28 -8.292 1.966 1.617 1.00 0.00 O ATOM 394 CB ARG A 28 -8.152 4.693 -0.003 1.00 0.00 C ATOM 395 CG ARG A 28 -6.835 5.305 0.465 1.00 0.00 C ATOM 396 CD ARG A 28 -6.897 6.832 0.483 1.00 0.00 C ATOM 397 NE ARG A 28 -7.967 7.348 1.338 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.410 8.578 1.300 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.915 9.437 0.462 1.00 0.00 N ATOM 400 NH2 ARG A 28 -9.360 8.940 2.099 1.00 0.00 N ATOM 0 H ARG A 28 -10.144 3.027 -0.284 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.342 3.133 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.531 5.278 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.883 4.778 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.598 4.938 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.029 4.981 -0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.941 7.225 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.043 7.197 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.395 6.707 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.172 9.156 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.270 10.393 0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.759 8.268 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.710 9.898 2.074 1.00 0.00 H new ATOM 414 N LEU A 29 -6.256 1.976 0.661 1.00 0.00 N ATOM 415 CA LEU A 29 -5.643 1.100 1.665 1.00 0.00 C ATOM 416 C LEU A 29 -4.694 1.861 2.600 1.00 0.00 C ATOM 417 O LEU A 29 -4.055 2.837 2.205 1.00 0.00 O ATOM 418 CB LEU A 29 -4.863 -0.033 0.984 1.00 0.00 C ATOM 419 CG LEU A 29 -5.694 -0.993 0.121 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.801 -2.065 -0.496 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.819 -1.629 0.940 1.00 0.00 C ATOM 0 H LEU A 29 -5.616 2.282 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.458 0.691 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.089 0.410 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.356 -0.614 1.755 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.150 -0.419 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.406 -2.737 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.044 -1.592 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.314 -2.633 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.393 -2.305 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.392 -2.188 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.475 -0.848 1.325 1.00 0.00 H new ATOM 433 N TYR A 30 -4.612 1.391 3.839 1.00 0.00 N ATOM 434 CA TYR A 30 -3.666 1.914 4.827 1.00 0.00 C ATOM 435 C TYR A 30 -2.387 1.060 4.863 1.00 0.00 C ATOM 436 O TYR A 30 -2.417 -0.096 5.271 1.00 0.00 O ATOM 437 CB TYR A 30 -4.325 1.941 6.220 1.00 0.00 C ATOM 438 CG TYR A 30 -3.333 2.042 7.370 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.677 3.236 7.654 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.038 0.930 8.158 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.762 3.319 8.686 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.120 1.006 9.187 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.484 2.203 9.450 1.00 0.00 C ATOM 444 OH TYR A 30 -0.559 2.277 10.470 1.00 0.00 O ATOM 0 H TYR A 30 -5.199 0.635 4.191 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.391 2.929 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.011 2.786 6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.922 1.038 6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.887 4.112 7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.536 -0.007 7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.265 4.255 8.895 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.901 0.133 9.783 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.484 1.403 10.908 1.00 0.00 H new ATOM 454 N VAL A 31 -1.272 1.630 4.431 1.00 0.00 N ATOM 455 CA VAL A 31 0.015 0.926 4.453 1.00 0.00 C ATOM 456 C VAL A 31 0.951 1.510 5.527 1.00 0.00 C ATOM 457 O VAL A 31 1.585 2.547 5.323 1.00 0.00 O ATOM 458 CB VAL A 31 0.712 0.982 3.070 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.993 0.147 3.070 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.241 0.523 1.966 1.00 0.00 C ATOM 0 H VAL A 31 -1.226 2.579 4.059 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.195 -0.115 4.697 1.00 0.00 H new ATOM 0 HB VAL A 31 0.988 2.017 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.463 0.203 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.679 0.533 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.751 -0.891 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.268 0.570 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.556 -0.502 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.115 1.174 1.946 1.00 0.00 H new ATOM 470 N GLY A 32 1.019 0.843 6.678 1.00 0.00 N ATOM 471 CA GLY A 32 1.882 1.296 7.764 1.00 0.00 C ATOM 472 C GLY A 32 3.200 0.534 7.839 1.00 0.00 C ATOM 473 O GLY A 32 3.303 -0.481 8.528 1.00 0.00 O ATOM 0 H GLY A 32 0.491 -0.006 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.090 2.358 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.352 1.187 8.710 1.00 0.00 H new ATOM 477 N SER A 33 4.209 1.027 7.121 1.00 0.00 N ATOM 478 CA SER A 33 5.555 0.424 7.139 1.00 0.00 C ATOM 479 C SER A 33 6.563 1.297 6.374 1.00 0.00 C ATOM 480 O SER A 33 7.577 0.809 5.872 1.00 0.00 O ATOM 481 CB SER A 33 5.530 -0.990 6.529 1.00 0.00 C ATOM 482 OG SER A 33 6.788 -1.642 6.672 1.00 0.00 O ATOM 0 H SER A 33 4.126 1.844 6.516 1.00 0.00 H new ATOM 0 HA SER A 33 5.869 0.357 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.754 -1.583 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.270 -0.927 5.472 1.00 0.00 H new ATOM 0 HG SER A 33 7.506 -1.028 6.412 1.00 0.00 H new ATOM 488 N LEU A 34 6.295 2.600 6.289 1.00 0.00 N ATOM 489 CA LEU A 34 7.202 3.517 5.596 1.00 0.00 C ATOM 490 C LEU A 34 8.479 3.735 6.419 1.00 0.00 C ATOM 491 O LEU A 34 8.480 4.471 7.403 1.00 0.00 O ATOM 492 CB LEU A 34 6.520 4.865 5.308 1.00 0.00 C ATOM 493 CG LEU A 34 5.232 4.796 4.469 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.722 6.199 4.155 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.459 4.003 3.183 1.00 0.00 C ATOM 0 H LEU A 34 5.466 3.042 6.687 1.00 0.00 H new ATOM 0 HA LEU A 34 7.470 3.062 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.287 5.344 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.233 5.509 4.793 1.00 0.00 H new ATOM 0 HG LEU A 34 4.473 4.277 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.811 6.130 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.510 6.726 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.481 6.745 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.533 3.969 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.237 4.485 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.769 2.988 3.431 1.00 0.00 H new ATOM 507 N HIS A 35 9.565 3.093 6.002 1.00 0.00 N ATOM 508 CA HIS A 35 10.832 3.114 6.748 1.00 0.00 C ATOM 509 C HIS A 35 11.628 4.417 6.516 1.00 0.00 C ATOM 510 O HIS A 35 12.855 4.404 6.475 1.00 0.00 O ATOM 511 CB HIS A 35 11.662 1.887 6.344 1.00 0.00 C ATOM 512 CG HIS A 35 10.884 0.606 6.427 1.00 0.00 C ATOM 513 ND1 HIS A 35 10.852 -0.334 5.418 1.00 0.00 N ATOM 514 CD2 HIS A 35 10.082 0.129 7.403 1.00 0.00 C ATOM 515 CE1 HIS A 35 10.057 -1.326 5.770 1.00 0.00 C ATOM 516 NE2 HIS A 35 9.579 -1.073 6.970 1.00 0.00 N ATOM 0 H HIS A 35 9.599 2.544 5.143 1.00 0.00 H new ATOM 0 HA HIS A 35 10.607 3.079 7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.027 2.020 5.325 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.538 1.818 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.874 0.605 8.350 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.836 -2.199 5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.940 -1.672 7.493 1.00 0.00 H new ATOM 525 N PHE A 36 10.911 5.537 6.381 1.00 0.00 N ATOM 526 CA PHE A 36 11.521 6.869 6.224 1.00 0.00 C ATOM 527 C PHE A 36 12.351 7.006 4.927 1.00 0.00 C ATOM 528 O PHE A 36 13.111 7.962 4.764 1.00 0.00 O ATOM 529 CB PHE A 36 12.380 7.212 7.454 1.00 0.00 C ATOM 530 CG PHE A 36 11.606 7.203 8.751 1.00 0.00 C ATOM 531 CD1 PHE A 36 10.818 8.287 9.114 1.00 0.00 C ATOM 532 CD2 PHE A 36 11.670 6.112 9.611 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.111 8.283 10.302 1.00 0.00 C ATOM 534 CE2 PHE A 36 10.964 6.104 10.800 1.00 0.00 C ATOM 535 CZ PHE A 36 10.184 7.191 11.146 1.00 0.00 C ATOM 0 H PHE A 36 9.891 5.550 6.377 1.00 0.00 H new ATOM 0 HA PHE A 36 10.701 7.582 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.200 6.498 7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.826 8.197 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.757 9.144 8.460 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.279 5.260 9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.502 9.133 10.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.022 5.249 11.457 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.632 7.187 12.074 1.00 0.00 H new ATOM 545 N ASN A 37 12.195 6.059 4.000 1.00 0.00 N ATOM 546 CA ASN A 37 12.875 6.135 2.695 1.00 0.00 C ATOM 547 C ASN A 37 12.039 5.480 1.578 1.00 0.00 C ATOM 548 O ASN A 37 12.517 5.288 0.460 1.00 0.00 O ATOM 549 CB ASN A 37 14.261 5.474 2.778 1.00 0.00 C ATOM 550 CG ASN A 37 14.184 3.992 3.094 1.00 0.00 C ATOM 551 OD1 ASN A 37 14.082 3.160 2.201 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.224 3.646 4.363 1.00 0.00 N ATOM 0 H ASN A 37 11.609 5.233 4.122 1.00 0.00 H new ATOM 0 HA ASN A 37 12.994 7.189 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.783 5.613 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.853 5.975 3.544 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.170 2.662 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.309 4.362 5.084 1.00 0.00 H new ATOM 559 N ILE A 38 10.780 5.163 1.879 1.00 0.00 N ATOM 560 CA ILE A 38 9.894 4.504 0.908 1.00 0.00 C ATOM 561 C ILE A 38 9.255 5.537 -0.035 1.00 0.00 C ATOM 562 O ILE A 38 8.865 6.625 0.396 1.00 0.00 O ATOM 563 CB ILE A 38 8.773 3.702 1.619 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.360 2.792 2.716 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.974 2.879 0.609 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.340 1.748 2.218 1.00 0.00 C ATOM 0 H ILE A 38 10.348 5.349 2.784 1.00 0.00 H new ATOM 0 HA ILE A 38 10.508 3.814 0.329 1.00 0.00 H new ATOM 0 HB ILE A 38 8.097 4.414 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.860 3.416 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.540 2.286 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.193 2.324 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.519 3.545 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.639 2.180 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.700 1.156 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.843 1.095 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.183 2.242 1.735 1.00 0.00 H new ATOM 578 N THR A 39 9.144 5.200 -1.319 1.00 0.00 N ATOM 579 CA THR A 39 8.638 6.146 -2.325 1.00 0.00 C ATOM 580 C THR A 39 7.330 5.672 -2.972 1.00 0.00 C ATOM 581 O THR A 39 6.987 4.490 -2.926 1.00 0.00 O ATOM 582 CB THR A 39 9.675 6.368 -3.448 1.00 0.00 C ATOM 583 OG1 THR A 39 9.937 5.127 -4.125 1.00 0.00 O ATOM 584 CG2 THR A 39 10.975 6.937 -2.887 1.00 0.00 C ATOM 0 H THR A 39 9.395 4.284 -1.691 1.00 0.00 H new ATOM 0 HA THR A 39 8.450 7.077 -1.790 1.00 0.00 H new ATOM 0 HB THR A 39 9.263 7.087 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.594 5.275 -4.837 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.688 7.084 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.775 7.893 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.392 6.241 -2.159 1.00 0.00 H new ATOM 592 N GLU A 40 6.616 6.615 -3.585 1.00 0.00 N ATOM 593 CA GLU A 40 5.370 6.324 -4.307 1.00 0.00 C ATOM 594 C GLU A 40 5.589 5.247 -5.384 1.00 0.00 C ATOM 595 O GLU A 40 4.759 4.357 -5.571 1.00 0.00 O ATOM 596 CB GLU A 40 4.849 7.609 -4.969 1.00 0.00 C ATOM 597 CG GLU A 40 4.629 8.764 -3.994 1.00 0.00 C ATOM 598 CD GLU A 40 4.483 10.103 -4.700 1.00 0.00 C ATOM 599 OE1 GLU A 40 3.352 10.466 -5.081 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.514 10.798 -4.884 1.00 0.00 O ATOM 0 H GLU A 40 6.880 7.600 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 40 4.640 5.949 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.557 7.924 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.909 7.390 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.735 8.570 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.467 8.813 -3.299 1.00 0.00 H new ATOM 607 N ASP A 41 6.723 5.335 -6.077 1.00 0.00 N ATOM 608 CA ASP A 41 7.055 4.397 -7.154 1.00 0.00 C ATOM 609 C ASP A 41 7.246 2.968 -6.619 1.00 0.00 C ATOM 610 O ASP A 41 6.820 1.996 -7.250 1.00 0.00 O ATOM 611 CB ASP A 41 8.313 4.873 -7.887 1.00 0.00 C ATOM 612 CG ASP A 41 8.705 3.944 -9.022 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.013 3.937 -10.061 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.698 3.202 -8.878 1.00 0.00 O ATOM 0 H ASP A 41 7.432 6.049 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 41 6.221 4.372 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.143 5.875 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.138 4.946 -7.178 1.00 0.00 H new ATOM 619 N MET A 42 7.881 2.850 -5.451 1.00 0.00 N ATOM 620 CA MET A 42 8.079 1.546 -4.804 1.00 0.00 C ATOM 621 C MET A 42 6.727 0.901 -4.468 1.00 0.00 C ATOM 622 O MET A 42 6.457 -0.245 -4.829 1.00 0.00 O ATOM 623 CB MET A 42 8.913 1.711 -3.524 1.00 0.00 C ATOM 624 CG MET A 42 9.106 0.418 -2.738 1.00 0.00 C ATOM 625 SD MET A 42 9.997 0.670 -1.189 1.00 0.00 S ATOM 626 CE MET A 42 11.599 1.198 -1.791 1.00 0.00 C ATOM 0 H MET A 42 8.267 3.639 -4.932 1.00 0.00 H new ATOM 0 HA MET A 42 8.614 0.895 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.891 2.112 -3.789 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.430 2.447 -2.881 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.132 -0.021 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.651 -0.298 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.329 1.135 -0.984 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.910 0.553 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.534 2.228 -2.143 1.00 0.00 H new ATOM 636 N LEU A 43 5.885 1.664 -3.778 1.00 0.00 N ATOM 637 CA LEU A 43 4.532 1.223 -3.428 1.00 0.00 C ATOM 638 C LEU A 43 3.742 0.807 -4.679 1.00 0.00 C ATOM 639 O LEU A 43 3.220 -0.304 -4.757 1.00 0.00 O ATOM 640 CB LEU A 43 3.802 2.353 -2.693 1.00 0.00 C ATOM 641 CG LEU A 43 4.471 2.815 -1.387 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.855 4.120 -0.898 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.368 1.734 -0.314 1.00 0.00 C ATOM 0 H LEU A 43 6.116 2.600 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 43 4.608 0.352 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.718 3.208 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.787 2.024 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 43 5.527 2.992 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.343 4.429 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.990 4.892 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.790 3.974 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.848 2.082 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.318 1.519 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.864 0.828 -0.662 1.00 0.00 H new ATOM 655 N ARG A 44 3.676 1.699 -5.665 1.00 0.00 N ATOM 656 CA ARG A 44 2.975 1.414 -6.919 1.00 0.00 C ATOM 657 C ARG A 44 3.491 0.117 -7.569 1.00 0.00 C ATOM 658 O ARG A 44 2.706 -0.740 -7.966 1.00 0.00 O ATOM 659 CB ARG A 44 3.132 2.586 -7.897 1.00 0.00 C ATOM 660 CG ARG A 44 2.373 2.390 -9.201 1.00 0.00 C ATOM 661 CD ARG A 44 2.476 3.591 -10.133 1.00 0.00 C ATOM 662 NE ARG A 44 1.905 3.274 -11.437 1.00 0.00 N ATOM 663 CZ ARG A 44 1.393 4.136 -12.271 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.326 5.395 -11.971 1.00 0.00 N ATOM 665 NH2 ARG A 44 0.935 3.723 -13.410 1.00 0.00 N ATOM 0 H ARG A 44 4.099 2.626 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 44 1.919 1.280 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.784 3.500 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.190 2.726 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.758 1.507 -9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.323 2.197 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.954 4.443 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.520 3.882 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 44 1.906 2.294 -11.721 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.677 5.724 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.923 6.057 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.977 2.732 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.532 4.389 -14.070 1.00 0.00 H new ATOM 679 N GLY A 45 4.814 -0.021 -7.641 1.00 0.00 N ATOM 680 CA GLY A 45 5.426 -1.194 -8.262 1.00 0.00 C ATOM 681 C GLY A 45 5.036 -2.509 -7.592 1.00 0.00 C ATOM 682 O GLY A 45 4.971 -3.550 -8.247 1.00 0.00 O ATOM 0 H GLY A 45 5.480 0.662 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.138 -1.231 -9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.510 -1.087 -8.232 1.00 0.00 H new ATOM 686 N ILE A 46 4.784 -2.469 -6.287 1.00 0.00 N ATOM 687 CA ILE A 46 4.390 -3.669 -5.535 1.00 0.00 C ATOM 688 C ILE A 46 2.871 -3.929 -5.612 1.00 0.00 C ATOM 689 O ILE A 46 2.428 -5.076 -5.703 1.00 0.00 O ATOM 690 CB ILE A 46 4.811 -3.554 -4.046 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.332 -3.343 -3.933 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.379 -4.793 -3.258 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.821 -3.146 -2.514 1.00 0.00 C ATOM 0 H ILE A 46 4.844 -1.621 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 46 4.908 -4.509 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 46 4.308 -2.688 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.841 -4.204 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.613 -2.474 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.686 -4.688 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.295 -4.896 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.848 -5.679 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.902 -3.004 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.341 -2.268 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.573 -4.024 -1.918 1.00 0.00 H new ATOM 705 N PHE A 47 2.079 -2.856 -5.587 1.00 0.00 N ATOM 706 CA PHE A 47 0.612 -2.971 -5.531 1.00 0.00 C ATOM 707 C PHE A 47 -0.054 -3.140 -6.917 1.00 0.00 C ATOM 708 O PHE A 47 -1.107 -3.774 -7.021 1.00 0.00 O ATOM 709 CB PHE A 47 0.019 -1.759 -4.792 1.00 0.00 C ATOM 710 CG PHE A 47 0.224 -1.800 -3.290 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.472 -1.556 -2.731 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.834 -2.087 -2.438 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.658 -1.595 -1.363 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.652 -2.126 -1.068 1.00 0.00 C ATOM 715 CZ PHE A 47 0.596 -1.879 -0.530 1.00 0.00 C ATOM 0 H PHE A 47 2.424 -1.896 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 47 0.394 -3.887 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.470 -0.848 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.049 -1.703 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.309 -1.332 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.813 -2.282 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.635 -1.403 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.485 -2.350 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.740 -1.908 0.540 1.00 0.00 H new ATOM 725 N GLU A 48 0.541 -2.584 -7.982 1.00 0.00 N ATOM 726 CA GLU A 48 -0.042 -2.715 -9.336 1.00 0.00 C ATOM 727 C GLU A 48 -0.211 -4.183 -9.785 1.00 0.00 C ATOM 728 O GLU A 48 -1.207 -4.513 -10.426 1.00 0.00 O ATOM 729 CB GLU A 48 0.760 -1.936 -10.393 1.00 0.00 C ATOM 730 CG GLU A 48 0.478 -0.436 -10.401 1.00 0.00 C ATOM 731 CD GLU A 48 0.981 0.257 -11.661 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.211 0.397 -11.820 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.147 0.684 -12.490 1.00 0.00 O ATOM 0 H GLU A 48 1.408 -2.049 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.037 -2.276 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.824 -2.095 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.535 -2.343 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.596 -0.273 -10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.947 0.021 -9.530 1.00 0.00 H new ATOM 740 N PRO A 49 0.749 -5.092 -9.496 1.00 0.00 N ATOM 741 CA PRO A 49 0.572 -6.535 -9.766 1.00 0.00 C ATOM 742 C PRO A 49 -0.800 -7.102 -9.322 1.00 0.00 C ATOM 743 O PRO A 49 -1.181 -8.203 -9.721 1.00 0.00 O ATOM 744 CB PRO A 49 1.706 -7.167 -8.955 1.00 0.00 C ATOM 745 CG PRO A 49 2.792 -6.146 -8.993 1.00 0.00 C ATOM 746 CD PRO A 49 2.101 -4.805 -8.964 1.00 0.00 C ATOM 0 HA PRO A 49 0.599 -6.746 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.394 -7.380 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.031 -8.111 -9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.463 -6.258 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.398 -6.254 -9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.055 -4.400 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.625 -4.072 -9.577 1.00 0.00 H new ATOM 754 N PHE A 50 -1.531 -6.357 -8.486 1.00 0.00 N ATOM 755 CA PHE A 50 -2.876 -6.762 -8.049 1.00 0.00 C ATOM 756 C PHE A 50 -3.985 -5.965 -8.767 1.00 0.00 C ATOM 757 O PHE A 50 -5.126 -6.426 -8.863 1.00 0.00 O ATOM 758 CB PHE A 50 -2.996 -6.582 -6.532 1.00 0.00 C ATOM 759 CG PHE A 50 -1.991 -7.395 -5.756 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.266 -8.709 -5.408 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.771 -6.848 -5.379 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.348 -9.459 -4.700 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.150 -7.595 -4.670 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.138 -8.902 -4.331 1.00 0.00 C ATOM 0 H PHE A 50 -1.215 -5.469 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.011 -7.811 -8.312 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.868 -5.528 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.001 -6.863 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.209 -9.151 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.540 -5.827 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.575 -10.481 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.094 -7.157 -4.381 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.581 -9.488 -3.778 1.00 0.00 H new ATOM 774 N GLY A 51 -3.649 -4.778 -9.268 1.00 0.00 N ATOM 775 CA GLY A 51 -4.629 -3.948 -9.967 1.00 0.00 C ATOM 776 C GLY A 51 -4.023 -2.686 -10.582 1.00 0.00 C ATOM 777 O GLY A 51 -3.038 -2.755 -11.313 1.00 0.00 O ATOM 0 H GLY A 51 -2.715 -4.372 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.099 -4.538 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.416 -3.662 -9.269 1.00 0.00 H new ATOM 781 N ARG A 52 -4.620 -1.529 -10.295 1.00 0.00 N ATOM 782 CA ARG A 52 -4.101 -0.244 -10.786 1.00 0.00 C ATOM 783 C ARG A 52 -4.479 0.892 -9.817 1.00 0.00 C ATOM 784 O ARG A 52 -5.654 1.091 -9.497 1.00 0.00 O ATOM 785 CB ARG A 52 -4.647 0.035 -12.202 1.00 0.00 C ATOM 786 CG ARG A 52 -3.747 0.906 -13.092 1.00 0.00 C ATOM 787 CD ARG A 52 -3.674 2.363 -12.637 1.00 0.00 C ATOM 788 NE ARG A 52 -2.973 3.206 -13.607 1.00 0.00 N ATOM 789 CZ ARG A 52 -2.934 4.515 -13.558 1.00 0.00 C ATOM 790 NH1 ARG A 52 -3.453 5.154 -12.561 1.00 0.00 N ATOM 791 NH2 ARG A 52 -2.347 5.183 -14.497 1.00 0.00 N ATOM 0 H ARG A 52 -5.463 -1.451 -9.726 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.013 -0.295 -10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.813 -0.918 -12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.619 0.521 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.742 0.485 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.118 0.871 -14.116 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.683 2.747 -12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.165 2.417 -11.675 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.482 2.744 -14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.899 4.639 -11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.417 6.173 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.913 4.691 -15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.318 6.202 -14.457 1.00 0.00 H new ATOM 805 N ILE A 53 -3.473 1.629 -9.355 1.00 0.00 N ATOM 806 CA ILE A 53 -3.675 2.720 -8.395 1.00 0.00 C ATOM 807 C ILE A 53 -4.010 4.042 -9.109 1.00 0.00 C ATOM 808 O ILE A 53 -3.413 4.367 -10.133 1.00 0.00 O ATOM 809 CB ILE A 53 -2.413 2.938 -7.511 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.079 1.676 -6.688 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.601 4.140 -6.586 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.453 0.549 -7.484 1.00 0.00 C ATOM 0 H ILE A 53 -2.500 1.492 -9.630 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.514 2.427 -7.764 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.574 3.138 -8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.400 1.954 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.994 1.309 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.707 4.274 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.771 5.036 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.460 3.969 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.253 -0.295 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.137 0.238 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.518 0.892 -7.927 1.00 0.00 H new ATOM 824 N GLU A 54 -4.963 4.802 -8.570 1.00 0.00 N ATOM 825 CA GLU A 54 -5.292 6.130 -9.116 1.00 0.00 C ATOM 826 C GLU A 54 -4.347 7.208 -8.562 1.00 0.00 C ATOM 827 O GLU A 54 -3.707 7.940 -9.321 1.00 0.00 O ATOM 828 CB GLU A 54 -6.749 6.511 -8.803 1.00 0.00 C ATOM 829 CG GLU A 54 -7.790 5.651 -9.508 1.00 0.00 C ATOM 830 CD GLU A 54 -9.198 6.220 -9.379 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.569 7.092 -10.195 1.00 0.00 O ATOM 832 OE2 GLU A 54 -9.935 5.812 -8.459 1.00 0.00 O ATOM 0 H GLU A 54 -5.521 4.528 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.166 6.075 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.907 6.441 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.907 7.553 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.531 5.564 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.768 4.644 -9.091 1.00 0.00 H new ATOM 839 N SER A 55 -4.269 7.294 -7.234 1.00 0.00 N ATOM 840 CA SER A 55 -3.405 8.275 -6.556 1.00 0.00 C ATOM 841 C SER A 55 -2.763 7.665 -5.305 1.00 0.00 C ATOM 842 O SER A 55 -3.418 6.937 -4.558 1.00 0.00 O ATOM 843 CB SER A 55 -4.207 9.525 -6.153 1.00 0.00 C ATOM 844 OG SER A 55 -4.696 10.230 -7.286 1.00 0.00 O ATOM 0 H SER A 55 -4.795 6.694 -6.598 1.00 0.00 H new ATOM 0 HA SER A 55 -2.622 8.561 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.044 9.231 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.575 10.186 -5.559 1.00 0.00 H new ATOM 0 HG SER A 55 -5.201 11.016 -6.989 1.00 0.00 H new ATOM 850 N ILE A 56 -1.482 7.954 -5.083 1.00 0.00 N ATOM 851 CA ILE A 56 -0.768 7.451 -3.902 1.00 0.00 C ATOM 852 C ILE A 56 -0.503 8.582 -2.899 1.00 0.00 C ATOM 853 O ILE A 56 0.268 9.500 -3.174 1.00 0.00 O ATOM 854 CB ILE A 56 0.577 6.790 -4.299 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.335 5.665 -5.318 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.304 6.256 -3.063 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.600 5.016 -5.836 1.00 0.00 C ATOM 0 H ILE A 56 -0.914 8.533 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.405 6.700 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 56 1.212 7.546 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.290 4.900 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.225 6.068 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.245 5.796 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.505 7.078 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.680 5.513 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.342 4.233 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.218 5.766 -6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.152 4.580 -5.004 1.00 0.00 H new ATOM 869 N GLN A 57 -1.158 8.518 -1.745 1.00 0.00 N ATOM 870 CA GLN A 57 -0.995 9.536 -0.705 1.00 0.00 C ATOM 871 C GLN A 57 -0.151 8.996 0.457 1.00 0.00 C ATOM 872 O GLN A 57 -0.413 7.918 0.978 1.00 0.00 O ATOM 873 CB GLN A 57 -2.370 9.989 -0.183 1.00 0.00 C ATOM 874 CG GLN A 57 -2.310 11.152 0.806 1.00 0.00 C ATOM 875 CD GLN A 57 -1.754 12.424 0.188 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.556 12.671 0.210 1.00 0.00 O ATOM 877 NE2 GLN A 57 -2.622 13.237 -0.378 1.00 0.00 N ATOM 0 H GLN A 57 -1.809 7.771 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.479 10.390 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.991 10.279 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.861 9.143 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.311 11.348 1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.692 10.867 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.615 13.002 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.302 14.101 -0.815 1.00 0.00 H new ATOM 886 N LEU A 58 0.875 9.738 0.849 1.00 0.00 N ATOM 887 CA LEU A 58 1.691 9.371 2.010 1.00 0.00 C ATOM 888 C LEU A 58 1.473 10.363 3.153 1.00 0.00 C ATOM 889 O LEU A 58 1.233 11.548 2.922 1.00 0.00 O ATOM 890 CB LEU A 58 3.187 9.312 1.649 1.00 0.00 C ATOM 891 CG LEU A 58 3.603 8.171 0.698 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.120 8.428 -0.727 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.116 7.963 0.730 1.00 0.00 C ATOM 0 H LEU A 58 1.166 10.598 0.384 1.00 0.00 H new ATOM 0 HA LEU A 58 1.377 8.378 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.469 10.261 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.761 9.219 2.571 1.00 0.00 H new ATOM 0 HG LEU A 58 3.124 7.257 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.430 7.605 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.033 8.504 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.552 9.359 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.386 7.154 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.616 8.880 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.427 7.707 1.743 1.00 0.00 H new ATOM 905 N MET A 59 1.583 9.888 4.386 1.00 0.00 N ATOM 906 CA MET A 59 1.389 10.751 5.549 1.00 0.00 C ATOM 907 C MET A 59 2.727 11.338 5.998 1.00 0.00 C ATOM 908 O MET A 59 3.567 10.647 6.577 1.00 0.00 O ATOM 909 CB MET A 59 0.737 9.971 6.697 1.00 0.00 C ATOM 910 CG MET A 59 -0.643 9.425 6.352 1.00 0.00 C ATOM 911 SD MET A 59 -1.824 10.726 5.950 1.00 0.00 S ATOM 912 CE MET A 59 -1.895 11.627 7.499 1.00 0.00 C ATOM 0 H MET A 59 1.804 8.917 4.609 1.00 0.00 H new ATOM 0 HA MET A 59 0.724 11.567 5.268 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.387 9.143 6.979 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.655 10.622 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.558 8.743 5.506 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.021 8.844 7.194 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.774 12.272 7.505 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.957 10.922 8.328 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.998 12.236 7.607 1.00 0.00 H new ATOM 1033 N LYS A 68 5.728 10.066 8.342 1.00 0.00 N ATOM 1034 CA LYS A 68 5.062 9.674 9.591 1.00 0.00 C ATOM 1035 C LYS A 68 5.057 8.146 9.767 1.00 0.00 C ATOM 1036 O LYS A 68 4.588 7.628 10.781 1.00 0.00 O ATOM 1037 CB LYS A 68 3.626 10.216 9.621 1.00 0.00 C ATOM 1038 CG LYS A 68 3.547 11.743 9.602 1.00 0.00 C ATOM 1039 CD LYS A 68 2.104 12.247 9.554 1.00 0.00 C ATOM 1040 CE LYS A 68 1.295 11.792 10.765 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.868 12.299 12.041 1.00 0.00 N ATOM 0 HA LYS A 68 5.623 10.106 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.080 9.822 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.126 9.846 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.040 12.142 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.091 12.122 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.103 13.336 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.625 11.887 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.267 12.140 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.262 10.703 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.218 12.083 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.785 11.841 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.002 13.328 11.976 1.00 0.00 H new ATOM 1055 N GLY A 69 5.573 7.431 8.766 1.00 0.00 N ATOM 1056 CA GLY A 69 5.703 5.977 8.866 1.00 0.00 C ATOM 1057 C GLY A 69 4.560 5.191 8.222 1.00 0.00 C ATOM 1058 O GLY A 69 4.623 3.961 8.136 1.00 0.00 O ATOM 0 H GLY A 69 5.904 7.829 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.641 5.676 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.768 5.702 9.919 1.00 0.00 H new ATOM 1062 N TYR A 70 3.521 5.886 7.758 1.00 0.00 N ATOM 1063 CA TYR A 70 2.367 5.227 7.129 1.00 0.00 C ATOM 1064 C TYR A 70 1.792 6.055 5.965 1.00 0.00 C ATOM 1065 O TYR A 70 1.974 7.272 5.901 1.00 0.00 O ATOM 1066 CB TYR A 70 1.279 4.923 8.178 1.00 0.00 C ATOM 1067 CG TYR A 70 1.054 6.032 9.197 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.244 7.127 8.909 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.653 5.977 10.453 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.038 8.130 9.839 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.451 6.976 11.386 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.643 8.050 11.076 1.00 0.00 C ATOM 1073 OH TYR A 70 0.439 9.049 12.006 1.00 0.00 O ATOM 0 H TYR A 70 3.451 6.903 7.804 1.00 0.00 H new ATOM 0 HA TYR A 70 2.718 4.285 6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.340 4.726 7.661 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.549 4.010 8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.232 7.195 7.942 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.287 5.139 10.702 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.594 8.972 9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.924 6.916 12.355 1.00 0.00 H new ATOM 0 HH TYR A 70 0.935 8.840 12.825 1.00 0.00 H new ATOM 1083 N GLY A 71 1.110 5.376 5.039 1.00 0.00 N ATOM 1084 CA GLY A 71 0.556 6.036 3.854 1.00 0.00 C ATOM 1085 C GLY A 71 -0.776 5.435 3.395 1.00 0.00 C ATOM 1086 O GLY A 71 -1.113 4.309 3.755 1.00 0.00 O ATOM 0 H GLY A 71 0.929 4.373 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.414 7.095 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.277 5.970 3.039 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.535 6.190 2.601 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.832 5.731 2.081 1.00 0.00 C ATOM 1092 C PHE A 72 -2.847 5.677 0.538 1.00 0.00 C ATOM 1093 O PHE A 72 -2.727 6.700 -0.139 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.958 6.644 2.587 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.170 6.571 4.080 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -5.033 5.628 4.623 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.509 7.439 4.937 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.232 5.557 5.989 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.706 7.371 6.304 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.567 6.429 6.829 1.00 0.00 C ATOM 0 H PHE A 72 -1.275 7.129 2.300 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.993 4.718 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.731 7.674 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.886 6.375 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.554 4.943 3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.832 8.177 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.907 4.820 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.187 8.054 6.960 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.721 6.374 7.897 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.013 4.474 -0.014 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.001 4.270 -1.473 1.00 0.00 C ATOM 1112 C ILE A 73 -4.421 4.057 -2.029 1.00 0.00 C ATOM 1113 O ILE A 73 -5.150 3.183 -1.570 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.112 3.058 -1.851 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.678 3.278 -1.343 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.125 2.821 -3.360 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.247 2.106 -1.595 1.00 0.00 C ATOM 0 H ILE A 73 -3.158 3.620 0.525 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.588 5.175 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.518 2.167 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.265 4.165 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.709 3.481 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.494 1.965 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.145 2.622 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.745 3.706 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.240 2.337 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.142 1.221 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.310 1.916 -2.666 1.00 0.00 H new ATOM 1129 N THR A 74 -4.797 4.848 -3.034 1.00 0.00 N ATOM 1130 CA THR A 74 -6.165 4.810 -3.591 1.00 0.00 C ATOM 1131 C THR A 74 -6.249 3.979 -4.884 1.00 0.00 C ATOM 1132 O THR A 74 -5.637 4.318 -5.898 1.00 0.00 O ATOM 1133 CB THR A 74 -6.692 6.239 -3.892 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.638 7.053 -2.709 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.128 6.201 -4.410 1.00 0.00 C ATOM 0 H THR A 74 -4.180 5.525 -3.484 1.00 0.00 H new ATOM 0 HA THR A 74 -6.783 4.338 -2.827 1.00 0.00 H new ATOM 0 HB THR A 74 -6.052 6.669 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.972 7.951 -2.914 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.469 7.216 -4.612 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.168 5.616 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.773 5.744 -3.660 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.029 2.899 -4.844 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.242 2.032 -6.015 1.00 0.00 C ATOM 1145 C PHE A 75 -8.565 2.354 -6.722 1.00 0.00 C ATOM 1146 O PHE A 75 -9.535 2.775 -6.091 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.253 0.556 -5.597 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.917 0.025 -5.150 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.390 0.369 -3.914 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.191 -0.828 -5.969 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.169 -0.128 -3.506 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.972 -1.330 -5.562 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.461 -0.978 -4.331 1.00 0.00 C ATOM 0 H PHE A 75 -7.530 2.597 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.418 2.218 -6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.971 0.426 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.606 -0.044 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.941 1.033 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.585 -1.102 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.768 0.148 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.419 -1.997 -6.207 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.506 -1.368 -4.012 1.00 0.00 H new ATOM 1163 N SER A 76 -8.607 2.125 -8.037 1.00 0.00 N ATOM 1164 CA SER A 76 -9.829 2.357 -8.826 1.00 0.00 C ATOM 1165 C SER A 76 -10.814 1.183 -8.696 1.00 0.00 C ATOM 1166 O SER A 76 -11.918 1.212 -9.247 1.00 0.00 O ATOM 1167 CB SER A 76 -9.478 2.580 -10.307 1.00 0.00 C ATOM 1168 OG SER A 76 -10.629 2.921 -11.070 1.00 0.00 O ATOM 0 H SER A 76 -7.815 1.781 -8.580 1.00 0.00 H new ATOM 0 HA SER A 76 -10.310 3.252 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.736 3.374 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.025 1.676 -10.715 1.00 0.00 H new ATOM 0 HG SER A 76 -11.431 2.579 -10.623 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.410 0.152 -7.960 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.246 -1.030 -7.750 1.00 0.00 C ATOM 1176 C ASP A 77 -11.093 -1.573 -6.319 1.00 0.00 C ATOM 1177 O ASP A 77 -10.007 -1.536 -5.736 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.887 -2.108 -8.780 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.666 -3.391 -8.572 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.908 -3.356 -8.649 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.042 -4.443 -8.328 1.00 0.00 O ATOM 0 H ASP A 77 -9.503 0.110 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.289 -0.744 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.081 -1.727 -9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.820 -2.321 -8.721 1.00 0.00 H new ATOM 1186 N SER A 78 -12.194 -2.072 -5.759 1.00 0.00 N ATOM 1187 CA SER A 78 -12.195 -2.612 -4.391 1.00 0.00 C ATOM 1188 C SER A 78 -11.527 -3.987 -4.321 1.00 0.00 C ATOM 1189 O SER A 78 -10.742 -4.258 -3.412 1.00 0.00 O ATOM 1190 CB SER A 78 -13.627 -2.710 -3.847 1.00 0.00 C ATOM 1191 OG SER A 78 -13.668 -3.361 -2.583 1.00 0.00 O ATOM 0 H SER A 78 -13.099 -2.116 -6.228 1.00 0.00 H new ATOM 0 HA SER A 78 -11.619 -1.921 -3.775 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.050 -1.710 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.249 -3.255 -4.557 1.00 0.00 H new ATOM 0 HG SER A 78 -12.849 -3.158 -2.084 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.828 -4.846 -5.290 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.290 -6.210 -5.305 1.00 0.00 C ATOM 1199 C GLU A 79 -9.755 -6.222 -5.392 1.00 0.00 C ATOM 1200 O GLU A 79 -9.091 -6.937 -4.641 1.00 0.00 O ATOM 1201 CB GLU A 79 -11.883 -6.998 -6.475 1.00 0.00 C ATOM 1202 CG GLU A 79 -11.290 -8.390 -6.641 1.00 0.00 C ATOM 1203 CD GLU A 79 -11.890 -9.135 -7.815 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -11.517 -8.828 -8.966 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -12.741 -10.023 -7.594 1.00 0.00 O ATOM 0 H GLU A 79 -12.440 -4.626 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.573 -6.683 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.960 -7.087 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.728 -6.435 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.212 -8.309 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.453 -8.963 -5.728 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.195 -5.436 -6.309 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.736 -5.363 -6.474 1.00 0.00 C ATOM 1214 C CYS A 80 -7.052 -4.883 -5.187 1.00 0.00 C ATOM 1215 O CYS A 80 -6.002 -5.399 -4.795 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.370 -4.433 -7.634 1.00 0.00 C ATOM 1217 SG CYS A 80 -7.851 -2.707 -7.392 1.00 0.00 S ATOM 0 H CYS A 80 -9.722 -4.841 -6.949 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.381 -6.369 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.293 -4.478 -7.793 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.842 -4.804 -8.544 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.834 -2.645 -6.543 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.659 -3.897 -4.529 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.154 -3.397 -3.246 1.00 0.00 C ATOM 1225 C ALA A 81 -7.245 -4.479 -2.159 1.00 0.00 C ATOM 1226 O ALA A 81 -6.297 -4.709 -1.404 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.934 -2.157 -2.829 1.00 0.00 C ATOM 0 H ALA A 81 -8.501 -3.427 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.104 -3.132 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.553 -1.791 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.818 -1.382 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.990 -2.409 -2.726 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.395 -5.144 -2.098 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.627 -6.236 -1.148 1.00 0.00 C ATOM 1235 C LYS A 82 -7.629 -7.386 -1.373 1.00 0.00 C ATOM 1236 O LYS A 82 -7.132 -7.997 -0.424 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.068 -6.739 -1.300 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.493 -7.773 -0.264 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.936 -8.230 -0.479 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.922 -7.066 -0.425 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.328 -7.511 -0.632 1.00 0.00 N ATOM 0 H LYS A 82 -9.192 -4.945 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.476 -5.862 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.744 -5.886 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.185 -7.171 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.827 -8.634 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.390 -7.350 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.018 -8.729 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.200 -8.964 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.839 -6.566 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.659 -6.333 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.963 -6.688 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.415 -7.965 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.590 -8.191 0.110 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.335 -7.661 -2.644 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.375 -8.706 -3.016 1.00 0.00 C ATOM 1257 C LYS A 83 -4.951 -8.306 -2.593 1.00 0.00 C ATOM 1258 O LYS A 83 -4.185 -9.130 -2.086 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.418 -8.949 -4.536 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.827 -10.291 -4.967 1.00 0.00 C ATOM 1261 CD LYS A 83 -6.704 -11.456 -4.507 1.00 0.00 C ATOM 1262 CE LYS A 83 -6.154 -12.808 -4.955 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.890 -13.156 -4.259 1.00 0.00 N ATOM 0 H LYS A 83 -7.749 -7.173 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.650 -9.625 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.453 -8.894 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.876 -8.147 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.726 -10.315 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.825 -10.400 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.783 -11.441 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.712 -11.327 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.897 -13.582 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.981 -12.790 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.687 -14.167 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.110 -12.591 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.986 -12.954 -3.243 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.609 -7.034 -2.810 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.308 -6.501 -2.396 1.00 0.00 C ATOM 1279 C ALA A 84 -3.120 -6.620 -0.879 1.00 0.00 C ATOM 1280 O ALA A 84 -2.102 -7.119 -0.412 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.161 -5.051 -2.845 1.00 0.00 C ATOM 0 H ALA A 84 -5.214 -6.354 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.530 -7.094 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.190 -4.669 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.237 -4.997 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.951 -4.449 -2.395 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.115 -6.168 -0.114 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.104 -6.319 1.348 1.00 0.00 C ATOM 1289 C LEU A 85 -3.893 -7.790 1.727 1.00 0.00 C ATOM 1290 O LEU A 85 -2.972 -8.132 2.471 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.436 -5.796 1.936 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.588 -5.831 3.479 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.727 -4.917 3.916 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.845 -7.251 3.997 1.00 0.00 C ATOM 0 H LEU A 85 -4.941 -5.694 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.281 -5.736 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.570 -4.766 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.249 -6.378 1.502 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.648 -5.481 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.824 -4.950 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.515 -3.895 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.658 -5.251 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.945 -7.230 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.763 -7.639 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.010 -7.895 3.722 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.759 -8.644 1.190 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.751 -10.085 1.468 1.00 0.00 C ATOM 1308 C GLU A 86 -3.341 -10.697 1.365 1.00 0.00 C ATOM 1309 O GLU A 86 -2.954 -11.545 2.175 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.691 -10.776 0.469 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.744 -12.291 0.596 1.00 0.00 C ATOM 1312 CD GLU A 86 -6.423 -12.945 -0.598 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -5.747 -13.143 -1.635 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.631 -13.249 -0.512 1.00 0.00 O ATOM 0 H GLU A 86 -5.494 -8.358 0.544 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.088 -10.237 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.697 -10.378 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.377 -10.520 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.731 -12.681 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.279 -12.559 1.507 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.576 -10.252 0.374 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.260 -10.835 0.087 1.00 0.00 C ATOM 1323 C GLN A 87 -0.096 -10.034 0.702 1.00 0.00 C ATOM 1324 O GLN A 87 0.913 -10.611 1.109 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.087 -10.942 -1.433 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.113 -11.860 -2.092 1.00 0.00 C ATOM 1327 CD GLN A 87 -1.922 -13.323 -1.721 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -0.803 -13.790 -1.532 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.011 -14.049 -1.576 1.00 0.00 N ATOM 0 H GLN A 87 -2.841 -9.488 -0.248 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.227 -11.822 0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.164 -9.947 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.085 -11.310 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.115 -11.544 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.046 -11.753 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.927 -13.632 -1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.938 -15.028 -1.299 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.238 -8.713 0.780 1.00 0.00 N ATOM 1339 CA LEU A 88 0.862 -7.838 1.221 1.00 0.00 C ATOM 1340 C LEU A 88 0.833 -7.551 2.733 1.00 0.00 C ATOM 1341 O LEU A 88 1.824 -7.080 3.294 1.00 0.00 O ATOM 1342 CB LEU A 88 0.835 -6.522 0.431 1.00 0.00 C ATOM 1343 CG LEU A 88 1.007 -6.680 -1.090 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.875 -5.338 -1.796 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.349 -7.330 -1.418 1.00 0.00 C ATOM 0 H LEU A 88 -1.099 -8.219 0.546 1.00 0.00 H new ATOM 0 HA LEU A 88 1.791 -8.372 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.111 -6.017 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.626 -5.873 0.807 1.00 0.00 H new ATOM 0 HG LEU A 88 0.212 -7.332 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.001 -5.478 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.111 -4.918 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.641 -4.656 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.449 -7.432 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.158 -6.708 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.399 -8.315 -0.954 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.290 -7.825 3.393 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.373 -7.656 4.850 1.00 0.00 C ATOM 1359 C ASN A 89 0.541 -8.678 5.551 1.00 0.00 C ATOM 1360 O ASN A 89 0.150 -9.819 5.800 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.824 -7.800 5.334 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.010 -7.382 6.785 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.097 -7.469 7.600 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.192 -6.916 7.122 1.00 0.00 N ATOM 0 H ASN A 89 -1.147 -8.161 2.953 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.034 -6.652 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.474 -7.196 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.139 -8.837 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.367 -6.616 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.934 -6.854 6.425 1.00 0.00 H new ATOM 1371 N GLY A 90 1.767 -8.262 5.846 1.00 0.00 N ATOM 1372 CA GLY A 90 2.767 -9.165 6.408 1.00 0.00 C ATOM 1373 C GLY A 90 3.923 -9.423 5.444 1.00 0.00 C ATOM 1374 O GLY A 90 4.748 -10.308 5.669 1.00 0.00 O ATOM 0 H GLY A 90 2.093 -7.306 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.157 -8.741 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.294 -10.112 6.666 1.00 0.00 H new ATOM 1378 N PHE A 91 3.976 -8.645 4.364 1.00 0.00 N ATOM 1379 CA PHE A 91 5.037 -8.765 3.356 1.00 0.00 C ATOM 1380 C PHE A 91 6.344 -8.114 3.840 1.00 0.00 C ATOM 1381 O PHE A 91 6.334 -6.997 4.354 1.00 0.00 O ATOM 1382 CB PHE A 91 4.570 -8.111 2.046 1.00 0.00 C ATOM 1383 CG PHE A 91 5.588 -8.143 0.931 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.819 -9.312 0.221 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.307 -7.003 0.589 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.744 -9.343 -0.805 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.232 -7.032 -0.436 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.451 -8.204 -1.133 1.00 0.00 C ATOM 0 H PHE A 91 3.291 -7.917 4.160 1.00 0.00 H new ATOM 0 HA PHE A 91 5.238 -9.823 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.664 -8.613 1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.304 -7.073 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.270 -10.207 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.140 -6.084 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.914 -10.259 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.783 -6.139 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.175 -8.229 -1.934 1.00 0.00 H new ATOM 1398 N GLU A 92 7.464 -8.813 3.669 1.00 0.00 N ATOM 1399 CA GLU A 92 8.770 -8.304 4.107 1.00 0.00 C ATOM 1400 C GLU A 92 9.307 -7.216 3.157 1.00 0.00 C ATOM 1401 O GLU A 92 10.025 -7.505 2.197 1.00 0.00 O ATOM 1402 CB GLU A 92 9.786 -9.452 4.215 1.00 0.00 C ATOM 1403 CG GLU A 92 9.418 -10.516 5.250 1.00 0.00 C ATOM 1404 CD GLU A 92 9.412 -9.980 6.676 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.500 -9.663 7.196 1.00 0.00 O ATOM 1406 OE2 GLU A 92 8.326 -9.896 7.290 1.00 0.00 O ATOM 0 H GLU A 92 7.498 -9.733 3.231 1.00 0.00 H new ATOM 0 HA GLU A 92 8.630 -7.853 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.885 -9.928 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.762 -9.037 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.433 -10.919 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.125 -11.343 5.181 1.00 0.00 H new ATOM 1413 N LEU A 93 8.936 -5.967 3.424 1.00 0.00 N ATOM 1414 CA LEU A 93 9.441 -4.818 2.662 1.00 0.00 C ATOM 1415 C LEU A 93 10.718 -4.260 3.309 1.00 0.00 C ATOM 1416 O LEU A 93 10.724 -3.937 4.498 1.00 0.00 O ATOM 1417 CB LEU A 93 8.379 -3.715 2.594 1.00 0.00 C ATOM 1418 CG LEU A 93 8.832 -2.413 1.914 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.103 -2.644 0.428 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.795 -1.310 2.115 1.00 0.00 C ATOM 0 H LEU A 93 8.283 -5.719 4.167 1.00 0.00 H new ATOM 0 HA LEU A 93 9.673 -5.157 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.510 -4.101 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.054 -3.483 3.608 1.00 0.00 H new ATOM 0 HG LEU A 93 9.763 -2.090 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.422 -1.709 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.888 -3.392 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.193 -2.996 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.135 -0.397 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.844 -1.621 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.664 -1.123 3.181 1.00 0.00 H new ATOM 1432 N ALA A 94 11.795 -4.144 2.528 1.00 0.00 N ATOM 1433 CA ALA A 94 13.086 -3.668 3.049 1.00 0.00 C ATOM 1434 C ALA A 94 13.564 -4.520 4.241 1.00 0.00 C ATOM 1435 O ALA A 94 14.319 -4.053 5.097 1.00 0.00 O ATOM 1436 CB ALA A 94 12.988 -2.194 3.445 1.00 0.00 C ATOM 0 H ALA A 94 11.802 -4.372 1.534 1.00 0.00 H new ATOM 0 HA ALA A 94 13.825 -3.770 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.950 -1.856 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.716 -1.600 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.227 -2.074 4.217 1.00 0.00 H new ATOM 1442 N GLY A 95 13.128 -5.778 4.275 1.00 0.00 N ATOM 1443 CA GLY A 95 13.484 -6.679 5.368 1.00 0.00 C ATOM 1444 C GLY A 95 12.598 -6.515 6.602 1.00 0.00 C ATOM 1445 O GLY A 95 12.945 -6.982 7.688 1.00 0.00 O ATOM 0 H GLY A 95 12.530 -6.195 3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.418 -7.709 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.522 -6.504 5.650 1.00 0.00 H new ATOM 1449 N ARG A 96 11.454 -5.846 6.439 1.00 0.00 N ATOM 1450 CA ARG A 96 10.518 -5.605 7.549 1.00 0.00 C ATOM 1451 C ARG A 96 9.053 -5.784 7.109 1.00 0.00 C ATOM 1452 O ARG A 96 8.689 -5.441 5.986 1.00 0.00 O ATOM 1453 CB ARG A 96 10.721 -4.192 8.122 1.00 0.00 C ATOM 1454 CG ARG A 96 12.082 -3.992 8.778 1.00 0.00 C ATOM 1455 CD ARG A 96 12.286 -2.559 9.251 1.00 0.00 C ATOM 1456 NE ARG A 96 11.391 -2.209 10.349 1.00 0.00 N ATOM 1457 CZ ARG A 96 11.692 -1.359 11.290 1.00 0.00 C ATOM 1458 NH1 ARG A 96 12.831 -0.743 11.278 1.00 0.00 N ATOM 1459 NH2 ARG A 96 10.851 -1.117 12.237 1.00 0.00 N ATOM 0 H ARG A 96 11.149 -5.458 5.546 1.00 0.00 H new ATOM 0 HA ARG A 96 10.730 -6.344 8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.602 -3.463 7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.940 -3.990 8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.178 -4.670 9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.867 -4.254 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.320 -2.427 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.121 -1.876 8.418 1.00 0.00 H new ATOM 0 HE ARG A 96 10.475 -2.656 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.500 -0.922 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.060 -0.079 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.948 -1.591 12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.089 -0.451 12.972 1.00 0.00 H new ATOM 1473 N PRO A 97 8.197 -6.315 8.003 1.00 0.00 N ATOM 1474 CA PRO A 97 6.771 -6.583 7.706 1.00 0.00 C ATOM 1475 C PRO A 97 5.975 -5.338 7.258 1.00 0.00 C ATOM 1476 O PRO A 97 6.119 -4.247 7.818 1.00 0.00 O ATOM 1477 CB PRO A 97 6.223 -7.118 9.045 1.00 0.00 C ATOM 1478 CG PRO A 97 7.213 -6.669 10.070 1.00 0.00 C ATOM 1479 CD PRO A 97 8.542 -6.705 9.382 1.00 0.00 C ATOM 0 HA PRO A 97 6.672 -7.273 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.230 -6.720 9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.134 -8.204 9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.982 -5.665 10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.203 -7.326 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.252 -6.013 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.993 -7.696 9.423 1.00 0.00 H new ATOM 1487 N MET A 98 5.127 -5.518 6.244 1.00 0.00 N ATOM 1488 CA MET A 98 4.258 -4.447 5.743 1.00 0.00 C ATOM 1489 C MET A 98 2.832 -4.582 6.309 1.00 0.00 C ATOM 1490 O MET A 98 2.128 -5.543 6.017 1.00 0.00 O ATOM 1491 CB MET A 98 4.211 -4.488 4.207 1.00 0.00 C ATOM 1492 CG MET A 98 3.376 -3.378 3.581 1.00 0.00 C ATOM 1493 SD MET A 98 3.169 -3.576 1.798 1.00 0.00 S ATOM 1494 CE MET A 98 4.869 -3.525 1.230 1.00 0.00 C ATOM 0 H MET A 98 5.022 -6.403 5.748 1.00 0.00 H new ATOM 0 HA MET A 98 4.670 -3.493 6.071 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.228 -4.424 3.821 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.810 -5.451 3.892 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.395 -3.356 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.849 -2.417 3.782 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.980 -2.737 0.485 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.529 -3.323 2.074 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.133 -4.484 0.785 1.00 0.00 H new ATOM 1504 N LYS A 99 2.407 -3.615 7.117 1.00 0.00 N ATOM 1505 CA LYS A 99 1.065 -3.643 7.716 1.00 0.00 C ATOM 1506 C LYS A 99 0.030 -2.955 6.808 1.00 0.00 C ATOM 1507 O LYS A 99 -0.044 -1.727 6.763 1.00 0.00 O ATOM 1508 CB LYS A 99 1.086 -2.955 9.089 1.00 0.00 C ATOM 1509 CG LYS A 99 2.047 -3.590 10.091 1.00 0.00 C ATOM 1510 CD LYS A 99 1.677 -5.040 10.404 1.00 0.00 C ATOM 1511 CE LYS A 99 2.585 -5.640 11.473 1.00 0.00 C ATOM 1512 NZ LYS A 99 2.509 -4.887 12.755 1.00 0.00 N ATOM 0 H LYS A 99 2.966 -2.802 7.375 1.00 0.00 H new ATOM 0 HA LYS A 99 0.775 -4.687 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.358 -1.908 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.079 -2.972 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.061 -3.553 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.045 -3.009 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.641 -5.086 10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.744 -5.636 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.305 -6.679 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.614 -5.643 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.944 -5.449 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.017 -3.984 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.513 -4.701 12.990 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.759 -3.746 6.080 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.772 -3.199 5.165 1.00 0.00 C ATOM 1528 C VAL A 100 -3.205 -3.407 5.696 1.00 0.00 C ATOM 1529 O VAL A 100 -3.663 -4.537 5.862 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.660 -3.831 3.753 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.628 -3.161 2.778 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.224 -3.745 3.231 1.00 0.00 C ATOM 0 H VAL A 100 -0.720 -4.765 6.103 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.575 -2.129 5.099 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.932 -4.884 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.531 -3.621 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.650 -3.284 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.395 -2.099 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.170 -4.194 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.080 -2.700 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.442 -4.279 3.908 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.904 -2.302 5.958 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.295 -2.355 6.403 1.00 0.00 C ATOM 1544 C GLY A 101 -6.262 -1.771 5.373 1.00 0.00 C ATOM 1545 O GLY A 101 -5.858 -1.009 4.497 1.00 0.00 O ATOM 0 H GLY A 101 -3.528 -1.358 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.569 -3.390 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.394 -1.808 7.341 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.544 -2.109 5.481 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.547 -1.699 4.475 1.00 0.00 C ATOM 1551 C HIS A 102 -9.285 -0.410 4.877 1.00 0.00 C ATOM 1552 O HIS A 102 -10.475 -0.267 4.592 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.563 -2.832 4.259 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.245 -3.286 5.515 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.177 -2.524 6.186 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.124 -4.434 6.223 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.595 -3.178 7.248 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.974 -4.338 7.295 1.00 0.00 N ATOM 0 H HIS A 102 -7.922 -2.664 6.249 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.012 -1.494 3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.318 -2.498 3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.053 -3.683 3.807 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.494 -1.597 5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.480 -5.268 5.988 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.324 -2.823 7.961 1.00 0.00 H new