USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 689 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 96 HIS : no HD1:sc= -0.0226 X(o=0.79,f=0.67) USER MOD Set 1.2: A 100 TYR OH : rot -108:sc= 0.815 USER MOD Set 2.1: A 73 HIS :FLIP no HD1:sc= -2.33! F(o=-3.8,f=-3!) USER MOD Set 2.2: A 92 SER OG : rot 180:sc= -0.669 USER MOD Single : A 26 THR OG1 : rot 22:sc= 0.316 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0307 (180deg=-0.284) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.836 (180deg=-1.18) USER MOD Single : A 40 SER OG : rot 130:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= -1.22 (180deg=-3.06!) USER MOD Single : A 47 THR OG1 : rot -83:sc= 0.0695 USER MOD Single : A 48 TYR OH : rot 100:sc= -1.69 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.0699 USER MOD Single : A 50 MET CE :methyl -112:sc= -0.238 (180deg=-1.53) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0202 (180deg=-0.258) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 59 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.23) USER MOD Single : A 60 TYR OH : rot -30:sc= -1.06 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.559 F(o=-4.8!,f=0.56) USER MOD Single : A 76 TYR OH : rot 165:sc= 0.932 USER MOD Single : A 77 CYS SG : rot -137:sc= 0.719 USER MOD Single : A 78 SER OG : rot -16:sc= 0.0723 USER MOD Single : A 79 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 139:sc= -12! (180deg=-13.1!) USER MOD Single : A 104 TYR OH : rot 15:sc= -3.64! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -13.151 2.406 0.924 1.00 0.00 N ATOM 348 CA THR A 26 -13.511 0.995 0.924 1.00 0.00 C ATOM 349 C THR A 26 -13.576 0.441 2.344 1.00 0.00 C ATOM 350 O THR A 26 -13.178 1.106 3.296 1.00 0.00 O ATOM 351 CB THR A 26 -12.492 0.175 0.111 1.00 0.00 C ATOM 352 OG1 THR A 26 -12.176 0.859 -1.106 1.00 0.00 O ATOM 353 CG2 THR A 26 -13.044 -1.203 -0.216 1.00 0.00 C ATOM 0 HA THR A 26 -14.496 0.912 0.466 1.00 0.00 H new ATOM 0 HB THR A 26 -11.591 0.059 0.713 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.387 1.811 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.306 -1.763 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.264 -1.736 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.958 -1.099 -0.801 1.00 0.00 H new ATOM 361 N LEU A 27 -13.981 -0.817 2.455 1.00 0.00 N ATOM 362 CA LEU A 27 -13.421 -1.708 3.452 1.00 0.00 C ATOM 363 C LEU A 27 -13.004 -3.005 2.776 1.00 0.00 C ATOM 364 O LEU A 27 -13.743 -3.989 2.776 1.00 0.00 O ATOM 365 CB LEU A 27 -14.419 -1.988 4.575 1.00 0.00 C ATOM 366 CG LEU A 27 -13.791 -2.138 5.962 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.586 -3.065 5.903 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.386 -0.778 6.507 1.00 0.00 C ATOM 0 H LEU A 27 -14.697 -1.240 1.864 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.552 -1.229 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.148 -1.178 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.966 -2.900 4.338 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.531 -2.576 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.151 -3.161 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.899 -4.047 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.843 -2.653 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.941 -0.900 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.661 -0.318 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.266 -0.139 6.582 1.00 0.00 H new ATOM 380 N VAL A 28 -11.853 -2.956 2.119 1.00 0.00 N ATOM 381 CA VAL A 28 -11.552 -3.879 1.032 1.00 0.00 C ATOM 382 C VAL A 28 -11.077 -5.215 1.567 1.00 0.00 C ATOM 383 O VAL A 28 -10.538 -5.301 2.670 1.00 0.00 O ATOM 384 CB VAL A 28 -10.491 -3.291 0.070 1.00 0.00 C ATOM 385 CG1 VAL A 28 -9.671 -2.237 0.783 1.00 0.00 C ATOM 386 CG2 VAL A 28 -9.584 -4.378 -0.494 1.00 0.00 C ATOM 0 H VAL A 28 -11.111 -2.286 2.320 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.476 -4.032 0.475 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.015 -2.831 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.927 -1.829 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.326 -1.436 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.168 -2.685 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.852 -3.929 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.067 -4.881 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.184 -5.103 -1.044 1.00 0.00 H new ATOM 396 N ARG A 29 -11.296 -6.257 0.786 1.00 0.00 N ATOM 397 CA ARG A 29 -10.969 -7.596 1.219 1.00 0.00 C ATOM 398 C ARG A 29 -10.177 -8.339 0.145 1.00 0.00 C ATOM 399 O ARG A 29 -10.750 -9.051 -0.678 1.00 0.00 O ATOM 400 CB ARG A 29 -12.251 -8.358 1.552 1.00 0.00 C ATOM 401 CG ARG A 29 -13.156 -7.624 2.529 1.00 0.00 C ATOM 402 CD ARG A 29 -14.412 -8.422 2.836 1.00 0.00 C ATOM 403 NE ARG A 29 -15.210 -8.671 1.637 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.399 -9.269 1.653 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.923 -9.679 2.801 1.00 0.00 N ATOM 406 NH2 ARG A 29 -17.061 -9.456 0.520 1.00 0.00 N ATOM 0 H ARG A 29 -11.698 -6.198 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.347 -7.530 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.802 -8.547 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.989 -9.329 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.613 -7.430 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.432 -6.655 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.135 -9.373 3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.015 -7.883 3.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.835 -8.370 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.414 -9.536 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.834 -10.137 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.659 -9.142 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.972 -9.914 0.531 1.00 0.00 H new ATOM 420 N PRO A 30 -8.844 -8.167 0.134 1.00 0.00 N ATOM 421 CA PRO A 30 -7.985 -8.743 -0.900 1.00 0.00 C ATOM 422 C PRO A 30 -7.648 -10.205 -0.629 1.00 0.00 C ATOM 423 O PRO A 30 -7.386 -10.591 0.511 1.00 0.00 O ATOM 424 CB PRO A 30 -6.729 -7.880 -0.811 1.00 0.00 C ATOM 425 CG PRO A 30 -6.649 -7.483 0.624 1.00 0.00 C ATOM 426 CD PRO A 30 -8.070 -7.383 1.119 1.00 0.00 C ATOM 0 HA PRO A 30 -8.460 -8.743 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.843 -8.436 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.800 -7.008 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.088 -8.219 1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.131 -6.530 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.173 -7.791 2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.407 -6.347 1.159 1.00 0.00 H new ATOM 434 N LYS A 31 -7.633 -11.009 -1.687 1.00 0.00 N ATOM 435 CA LYS A 31 -7.186 -12.393 -1.589 1.00 0.00 C ATOM 436 C LYS A 31 -5.758 -12.456 -1.052 1.00 0.00 C ATOM 437 O LYS A 31 -4.988 -11.509 -1.217 1.00 0.00 O ATOM 438 CB LYS A 31 -7.262 -13.073 -2.958 1.00 0.00 C ATOM 439 CG LYS A 31 -6.417 -12.394 -4.024 1.00 0.00 C ATOM 440 CD LYS A 31 -6.506 -13.119 -5.358 1.00 0.00 C ATOM 441 CE LYS A 31 -7.912 -13.062 -5.934 1.00 0.00 C ATOM 442 NZ LYS A 31 -8.009 -13.779 -7.235 1.00 0.00 N ATOM 0 H LYS A 31 -7.925 -10.726 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.843 -12.919 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.941 -14.110 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.301 -13.092 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.747 -11.363 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.378 -12.359 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.805 -12.672 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.207 -14.159 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.613 -13.501 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.206 -12.021 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.983 -13.717 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.359 -13.344 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.753 -14.778 -7.101 1.00 0.00 H new ATOM 456 N PRO A 32 -5.392 -13.566 -0.385 1.00 0.00 N ATOM 457 CA PRO A 32 -4.087 -13.705 0.269 1.00 0.00 C ATOM 458 C PRO A 32 -2.927 -13.401 -0.675 1.00 0.00 C ATOM 459 O PRO A 32 -2.457 -14.278 -1.400 1.00 0.00 O ATOM 460 CB PRO A 32 -4.048 -15.178 0.712 1.00 0.00 C ATOM 461 CG PRO A 32 -5.190 -15.838 0.011 1.00 0.00 C ATOM 462 CD PRO A 32 -6.217 -14.768 -0.205 1.00 0.00 C ATOM 0 HA PRO A 32 -3.976 -13.001 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.100 -15.644 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.149 -15.265 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.869 -16.268 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.596 -16.653 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.836 -14.970 -1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.890 -14.674 0.647 1.00 0.00 H new ATOM 470 N LEU A 33 -2.476 -12.151 -0.658 1.00 0.00 N ATOM 471 CA LEU A 33 -1.375 -11.722 -1.513 1.00 0.00 C ATOM 472 C LEU A 33 -0.710 -10.472 -0.949 1.00 0.00 C ATOM 473 O LEU A 33 0.497 -10.281 -1.092 1.00 0.00 O ATOM 474 CB LEU A 33 -1.878 -11.453 -2.934 1.00 0.00 C ATOM 475 CG LEU A 33 -0.785 -11.207 -3.975 1.00 0.00 C ATOM 476 CD1 LEU A 33 0.099 -12.437 -4.121 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.399 -10.831 -5.314 1.00 0.00 C ATOM 0 H LEU A 33 -2.856 -11.417 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.636 -12.523 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.480 -12.303 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.538 -10.585 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.166 -10.377 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.871 -12.244 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.567 -12.664 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.507 -13.285 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.606 -10.660 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.041 -11.641 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.990 -9.922 -5.201 1.00 0.00 H new ATOM 489 N LEU A 34 -1.501 -9.642 -0.279 1.00 0.00 N ATOM 490 CA LEU A 34 -0.966 -8.515 0.468 1.00 0.00 C ATOM 491 C LEU A 34 -1.260 -8.692 1.951 1.00 0.00 C ATOM 492 O LEU A 34 -1.083 -7.775 2.749 1.00 0.00 O ATOM 493 CB LEU A 34 -1.563 -7.202 -0.045 1.00 0.00 C ATOM 494 CG LEU A 34 -3.068 -7.041 0.175 1.00 0.00 C ATOM 495 CD1 LEU A 34 -3.342 -6.458 1.550 1.00 0.00 C ATOM 496 CD2 LEU A 34 -3.675 -6.169 -0.911 1.00 0.00 C ATOM 0 H LEU A 34 -2.516 -9.730 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 34 0.114 -8.477 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.050 -6.373 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.357 -7.120 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.534 -8.025 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.417 -6.349 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.941 -7.124 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.865 -5.482 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.746 -6.066 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.207 -5.185 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.507 -6.630 -1.884 1.00 0.00 H new ATOM 508 N LEU A 35 -1.706 -9.887 2.308 1.00 0.00 N ATOM 509 CA LEU A 35 -2.039 -10.206 3.677 1.00 0.00 C ATOM 510 C LEU A 35 -1.213 -11.401 4.121 1.00 0.00 C ATOM 511 O LEU A 35 -0.907 -12.282 3.318 1.00 0.00 O ATOM 512 CB LEU A 35 -3.531 -10.507 3.806 1.00 0.00 C ATOM 513 CG LEU A 35 -4.431 -9.650 2.916 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.422 -10.189 1.497 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.847 -9.611 3.462 1.00 0.00 C ATOM 0 H LEU A 35 -1.845 -10.657 1.654 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.812 -9.352 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.699 -11.557 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.829 -10.366 4.845 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.044 -8.631 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.066 -9.573 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.405 -10.167 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.789 -11.215 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.470 -8.996 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.250 -10.623 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.838 -9.186 4.466 1.00 0.00 H new ATOM 527 N LYS A 36 -0.769 -11.357 5.365 1.00 0.00 N ATOM 528 CA LYS A 36 0.481 -11.991 5.769 1.00 0.00 C ATOM 529 C LYS A 36 1.667 -11.238 5.174 1.00 0.00 C ATOM 530 O LYS A 36 2.793 -11.349 5.653 1.00 0.00 O ATOM 531 CB LYS A 36 0.497 -13.454 5.341 1.00 0.00 C ATOM 532 CG LYS A 36 1.691 -14.238 5.860 1.00 0.00 C ATOM 533 CD LYS A 36 1.701 -14.306 7.379 1.00 0.00 C ATOM 534 CE LYS A 36 2.893 -15.096 7.894 1.00 0.00 C ATOM 535 NZ LYS A 36 4.187 -14.488 7.474 1.00 0.00 N ATOM 0 H LYS A 36 -1.260 -10.884 6.123 1.00 0.00 H new ATOM 0 HA LYS A 36 0.560 -11.955 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.418 -13.933 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.489 -13.503 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.669 -15.248 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.612 -13.772 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.728 -13.296 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.778 -14.768 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.852 -15.147 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.836 -16.120 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.962 -14.904 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.346 -14.674 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.157 -13.461 7.637 1.00 0.00 H new ATOM 549 N LEU A 37 1.374 -10.399 4.185 1.00 0.00 N ATOM 550 CA LEU A 37 2.183 -9.231 3.897 1.00 0.00 C ATOM 551 C LEU A 37 1.990 -8.196 5.000 1.00 0.00 C ATOM 552 O LEU A 37 2.955 -7.698 5.581 1.00 0.00 O ATOM 553 CB LEU A 37 1.767 -8.653 2.536 1.00 0.00 C ATOM 554 CG LEU A 37 2.660 -7.551 1.963 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.651 -6.334 2.865 1.00 0.00 C ATOM 556 CD2 LEU A 37 4.078 -8.052 1.759 1.00 0.00 C ATOM 0 H LEU A 37 0.571 -10.513 3.566 1.00 0.00 H new ATOM 0 HA LEU A 37 3.237 -9.506 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.728 -9.470 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.755 -8.259 2.627 1.00 0.00 H new ATOM 0 HG LEU A 37 2.259 -7.264 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.292 -5.562 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.633 -5.953 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.021 -6.610 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.692 -7.249 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.491 -8.375 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.071 -8.892 1.065 1.00 0.00 H new ATOM 568 N LEU A 38 0.730 -7.885 5.282 1.00 0.00 N ATOM 569 CA LEU A 38 0.385 -6.911 6.310 1.00 0.00 C ATOM 570 C LEU A 38 0.151 -7.597 7.652 1.00 0.00 C ATOM 571 O LEU A 38 0.457 -7.040 8.706 1.00 0.00 O ATOM 572 CB LEU A 38 -0.869 -6.136 5.904 1.00 0.00 C ATOM 573 CG LEU A 38 -0.799 -5.445 4.542 1.00 0.00 C ATOM 574 CD1 LEU A 38 -2.082 -4.680 4.270 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.402 -4.519 4.474 1.00 0.00 C ATOM 0 H LEU A 38 -0.074 -8.297 4.809 1.00 0.00 H new ATOM 0 HA LEU A 38 1.220 -6.218 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.715 -6.823 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.072 -5.383 6.665 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.684 -6.209 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.016 -4.194 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.925 -5.371 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.227 -3.926 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.435 -4.037 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.320 -3.759 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.315 -5.095 4.625 1.00 0.00 H new ATOM 587 N LYS A 39 -0.373 -8.815 7.606 1.00 0.00 N ATOM 588 CA LYS A 39 -0.491 -9.634 8.804 1.00 0.00 C ATOM 589 C LYS A 39 0.890 -9.959 9.357 1.00 0.00 C ATOM 590 O LYS A 39 1.032 -10.354 10.515 1.00 0.00 O ATOM 591 CB LYS A 39 -1.256 -10.921 8.495 1.00 0.00 C ATOM 592 CG LYS A 39 -2.658 -10.678 7.960 1.00 0.00 C ATOM 593 CD LYS A 39 -3.266 -11.949 7.392 1.00 0.00 C ATOM 594 CE LYS A 39 -4.676 -11.714 6.880 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.580 -11.216 7.951 1.00 0.00 N ATOM 0 H LYS A 39 -0.722 -9.256 6.755 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.046 -9.074 9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.693 -11.503 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.321 -11.523 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.292 -10.296 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.625 -9.912 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.641 -12.321 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.282 -12.721 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.650 -10.993 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.074 -12.643 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.495 -11.706 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.151 -11.400 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.727 -10.193 7.834 1.00 0.00 H new ATOM 609 N SER A 40 1.909 -9.763 8.524 1.00 0.00 N ATOM 610 CA SER A 40 3.296 -9.893 8.963 1.00 0.00 C ATOM 611 C SER A 40 3.671 -8.775 9.931 1.00 0.00 C ATOM 612 O SER A 40 4.105 -9.037 11.055 1.00 0.00 O ATOM 613 CB SER A 40 4.241 -9.875 7.761 1.00 0.00 C ATOM 614 OG SER A 40 5.594 -9.962 8.173 1.00 0.00 O ATOM 0 H SER A 40 1.800 -9.513 7.541 1.00 0.00 H new ATOM 0 HA SER A 40 3.394 -10.847 9.481 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.006 -10.707 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.090 -8.959 7.190 1.00 0.00 H new ATOM 0 HG SER A 40 6.046 -10.667 7.664 1.00 0.00 H new ATOM 620 N VAL A 41 3.508 -7.530 9.488 1.00 0.00 N ATOM 621 CA VAL A 41 3.836 -6.370 10.318 1.00 0.00 C ATOM 622 C VAL A 41 3.223 -6.507 11.706 1.00 0.00 C ATOM 623 O VAL A 41 3.935 -6.664 12.698 1.00 0.00 O ATOM 624 CB VAL A 41 3.339 -5.042 9.700 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.459 -4.016 9.662 1.00 0.00 C ATOM 626 CG2 VAL A 41 2.764 -5.259 8.310 1.00 0.00 C ATOM 0 H VAL A 41 3.152 -7.298 8.561 1.00 0.00 H new ATOM 0 HA VAL A 41 4.924 -6.343 10.382 1.00 0.00 H new ATOM 0 HB VAL A 41 2.540 -4.659 10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.089 -3.089 9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.810 -3.823 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.283 -4.399 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.424 -4.306 7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.532 -5.677 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.923 -5.950 8.368 1.00 0.00 H new ATOM 636 N GLY A 42 1.898 -6.458 11.760 1.00 0.00 N ATOM 637 CA GLY A 42 1.197 -6.626 13.016 1.00 0.00 C ATOM 638 C GLY A 42 -0.285 -6.353 12.884 1.00 0.00 C ATOM 639 O GLY A 42 -0.979 -6.152 13.882 1.00 0.00 O ATOM 0 H GLY A 42 1.295 -6.304 10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.346 -7.642 13.380 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.624 -5.954 13.761 1.00 0.00 H new ATOM 643 N ALA A 43 -0.772 -6.357 11.649 1.00 0.00 N ATOM 644 CA ALA A 43 -2.194 -6.157 11.392 1.00 0.00 C ATOM 645 C ALA A 43 -3.024 -7.277 12.011 1.00 0.00 C ATOM 646 O ALA A 43 -3.644 -7.093 13.059 1.00 0.00 O ATOM 647 CB ALA A 43 -2.452 -6.066 9.895 1.00 0.00 C ATOM 0 H ALA A 43 -0.206 -6.496 10.812 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.496 -5.218 11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.517 -5.917 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.894 -5.227 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.130 -6.989 9.413 1.00 0.00 H new ATOM 653 N GLN A 44 -3.014 -8.441 11.366 1.00 0.00 N ATOM 654 CA GLN A 44 -3.685 -9.622 11.899 1.00 0.00 C ATOM 655 C GLN A 44 -5.167 -9.346 12.139 1.00 0.00 C ATOM 656 O GLN A 44 -5.625 -9.299 13.281 1.00 0.00 O ATOM 657 CB GLN A 44 -3.014 -10.074 13.199 1.00 0.00 C ATOM 658 CG GLN A 44 -3.536 -11.402 13.727 1.00 0.00 C ATOM 659 CD GLN A 44 -2.857 -11.824 15.015 1.00 0.00 C ATOM 660 OE1 GLN A 44 -2.436 -10.987 15.813 1.00 0.00 O ATOM 661 NE2 GLN A 44 -2.748 -13.131 15.223 1.00 0.00 N ATOM 0 H GLN A 44 -2.547 -8.591 10.472 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.601 -10.421 11.162 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.940 -10.156 13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.162 -9.307 13.960 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.610 -11.325 13.895 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.386 -12.173 12.972 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.112 -13.789 14.534 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.301 -13.477 16.072 1.00 0.00 H new ATOM 670 N LYS A 45 -5.911 -9.170 11.053 1.00 0.00 N ATOM 671 CA LYS A 45 -7.350 -8.947 11.140 1.00 0.00 C ATOM 672 C LYS A 45 -8.101 -9.854 10.169 1.00 0.00 C ATOM 673 O LYS A 45 -7.559 -10.851 9.694 1.00 0.00 O ATOM 674 CB LYS A 45 -7.681 -7.482 10.847 1.00 0.00 C ATOM 675 CG LYS A 45 -6.983 -6.502 11.777 1.00 0.00 C ATOM 676 CD LYS A 45 -7.416 -5.068 11.509 1.00 0.00 C ATOM 677 CE LYS A 45 -7.018 -4.612 10.114 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.474 -3.224 9.833 1.00 0.00 N ATOM 0 H LYS A 45 -5.542 -9.177 10.102 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.668 -9.187 12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.403 -7.254 9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.759 -7.339 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.204 -6.762 12.812 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.904 -6.586 11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.497 -4.987 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.966 -4.407 12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.934 -4.666 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.444 -5.291 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.723 -3.137 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.308 -3.008 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.710 -2.555 10.059 1.00 0.00 H new ATOM 692 N ASP A 46 -9.348 -9.500 9.877 1.00 0.00 N ATOM 693 CA ASP A 46 -10.154 -10.258 8.925 1.00 0.00 C ATOM 694 C ASP A 46 -10.107 -9.617 7.541 1.00 0.00 C ATOM 695 O ASP A 46 -10.164 -10.307 6.523 1.00 0.00 O ATOM 696 CB ASP A 46 -11.600 -10.350 9.414 1.00 0.00 C ATOM 697 CG ASP A 46 -12.207 -8.990 9.692 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.072 -8.503 10.834 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.816 -8.409 8.770 1.00 0.00 O ATOM 0 H ASP A 46 -9.823 -8.694 10.285 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.739 -11.263 8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.201 -10.866 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.635 -10.952 10.322 1.00 0.00 H new ATOM 704 N THR A 47 -10.007 -8.291 7.512 1.00 0.00 N ATOM 705 CA THR A 47 -9.975 -7.550 6.255 1.00 0.00 C ATOM 706 C THR A 47 -9.023 -6.371 6.339 1.00 0.00 C ATOM 707 O THR A 47 -8.293 -6.212 7.318 1.00 0.00 O ATOM 708 CB THR A 47 -11.369 -7.014 5.874 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.820 -6.080 6.862 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.380 -8.140 5.745 1.00 0.00 C ATOM 0 H THR A 47 -9.947 -7.707 8.346 1.00 0.00 H new ATOM 0 HA THR A 47 -9.635 -8.252 5.493 1.00 0.00 H new ATOM 0 HB THR A 47 -11.283 -6.518 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.219 -6.566 7.614 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.352 -7.727 5.476 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.054 -8.835 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.461 -8.667 6.696 1.00 0.00 H new ATOM 718 N TYR A 48 -9.044 -5.542 5.305 1.00 0.00 N ATOM 719 CA TYR A 48 -8.211 -4.355 5.264 1.00 0.00 C ATOM 720 C TYR A 48 -8.941 -3.200 4.601 1.00 0.00 C ATOM 721 O TYR A 48 -10.103 -3.322 4.213 1.00 0.00 O ATOM 722 CB TYR A 48 -6.924 -4.644 4.509 1.00 0.00 C ATOM 723 CG TYR A 48 -5.940 -5.473 5.289 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.022 -4.869 6.134 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.915 -6.853 5.169 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.107 -5.621 6.845 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.000 -7.613 5.872 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.099 -6.993 6.708 1.00 0.00 C ATOM 729 OH TYR A 48 -3.187 -7.747 7.408 1.00 0.00 O ATOM 0 H TYR A 48 -9.632 -5.673 4.482 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.975 -4.074 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.166 -5.161 3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.454 -3.700 4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.022 -3.794 6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.622 -7.342 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.402 -5.137 7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.992 -8.688 5.766 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.619 -8.131 8.199 1.00 0.00 H new ATOM 739 N THR A 49 -8.246 -2.083 4.454 1.00 0.00 N ATOM 740 CA THR A 49 -8.821 -0.938 3.772 1.00 0.00 C ATOM 741 C THR A 49 -7.772 -0.171 2.979 1.00 0.00 C ATOM 742 O THR A 49 -6.574 -0.420 3.106 1.00 0.00 O ATOM 743 CB THR A 49 -9.504 0.027 4.759 1.00 0.00 C ATOM 744 OG1 THR A 49 -10.171 -0.713 5.788 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.505 0.915 4.042 1.00 0.00 C ATOM 0 H THR A 49 -7.294 -1.947 4.794 1.00 0.00 H new ATOM 0 HA THR A 49 -9.568 -1.336 3.085 1.00 0.00 H new ATOM 0 HB THR A 49 -8.734 0.657 5.205 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.463 -0.100 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.974 1.588 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.991 1.500 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.269 0.296 3.572 1.00 0.00 H new ATOM 753 N MET A 50 -8.241 0.769 2.170 1.00 0.00 N ATOM 754 CA MET A 50 -7.371 1.650 1.407 1.00 0.00 C ATOM 755 C MET A 50 -6.259 2.238 2.273 1.00 0.00 C ATOM 756 O MET A 50 -5.087 2.205 1.897 1.00 0.00 O ATOM 757 CB MET A 50 -8.206 2.771 0.800 1.00 0.00 C ATOM 758 CG MET A 50 -8.811 2.413 -0.547 1.00 0.00 C ATOM 759 SD MET A 50 -8.195 3.457 -1.883 1.00 0.00 S ATOM 760 CE MET A 50 -6.443 3.089 -1.825 1.00 0.00 C ATOM 0 H MET A 50 -9.236 0.941 2.025 1.00 0.00 H new ATOM 0 HA MET A 50 -6.896 1.065 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.007 3.032 1.492 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.582 3.657 0.685 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.591 1.370 -0.775 1.00 0.00 H new ATOM 0 HG3 MET A 50 -9.896 2.504 -0.490 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.897 3.970 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.267 2.266 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.098 2.806 -2.819 1.00 0.00 H new ATOM 770 N LYS A 51 -6.634 2.803 3.417 1.00 0.00 N ATOM 771 CA LYS A 51 -5.689 3.540 4.247 1.00 0.00 C ATOM 772 C LYS A 51 -4.871 2.579 5.092 1.00 0.00 C ATOM 773 O LYS A 51 -3.684 2.800 5.344 1.00 0.00 O ATOM 774 CB LYS A 51 -6.430 4.533 5.144 1.00 0.00 C ATOM 775 CG LYS A 51 -5.510 5.371 6.016 1.00 0.00 C ATOM 776 CD LYS A 51 -6.296 6.343 6.882 1.00 0.00 C ATOM 777 CE LYS A 51 -5.376 7.178 7.757 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.568 6.334 8.679 1.00 0.00 N ATOM 0 H LYS A 51 -7.583 2.764 3.789 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.014 4.096 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.029 5.196 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.123 3.985 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.913 4.716 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.814 5.924 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.890 7.000 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.994 5.790 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.710 7.766 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.970 7.884 8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.137 6.934 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.182 5.625 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.819 5.852 8.142 1.00 0.00 H new ATOM 792 N GLU A 52 -5.514 1.495 5.507 1.00 0.00 N ATOM 793 CA GLU A 52 -4.834 0.418 6.205 1.00 0.00 C ATOM 794 C GLU A 52 -3.649 -0.085 5.387 1.00 0.00 C ATOM 795 O GLU A 52 -2.498 0.075 5.785 1.00 0.00 O ATOM 796 CB GLU A 52 -5.813 -0.725 6.466 1.00 0.00 C ATOM 797 CG GLU A 52 -5.610 -1.414 7.805 1.00 0.00 C ATOM 798 CD GLU A 52 -5.936 -0.514 8.982 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.115 -0.481 9.393 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.013 0.156 9.491 1.00 0.00 O ATOM 0 H GLU A 52 -6.513 1.341 5.370 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.460 0.797 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.831 -0.337 6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.716 -1.463 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.237 -2.305 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.575 -1.748 7.884 1.00 0.00 H new ATOM 807 N VAL A 53 -3.942 -0.682 4.233 1.00 0.00 N ATOM 808 CA VAL A 53 -2.902 -1.177 3.338 1.00 0.00 C ATOM 809 C VAL A 53 -1.950 -0.060 2.932 1.00 0.00 C ATOM 810 O VAL A 53 -0.789 -0.310 2.613 1.00 0.00 O ATOM 811 CB VAL A 53 -3.501 -1.805 2.065 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.413 -2.462 1.229 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.583 -2.809 2.421 1.00 0.00 C ATOM 0 H VAL A 53 -4.893 -0.834 3.897 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.354 -1.942 3.889 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.955 -1.010 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.856 -2.900 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.675 -1.714 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.927 -3.244 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.993 -3.241 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.156 -3.600 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.377 -2.307 2.974 1.00 0.00 H new ATOM 823 N LEU A 54 -2.446 1.173 2.944 1.00 0.00 N ATOM 824 CA LEU A 54 -1.621 2.328 2.607 1.00 0.00 C ATOM 825 C LEU A 54 -0.343 2.330 3.439 1.00 0.00 C ATOM 826 O LEU A 54 0.740 2.015 2.937 1.00 0.00 O ATOM 827 CB LEU A 54 -2.409 3.625 2.831 1.00 0.00 C ATOM 828 CG LEU A 54 -1.817 4.881 2.179 1.00 0.00 C ATOM 829 CD1 LEU A 54 -2.866 5.980 2.103 1.00 0.00 C ATOM 830 CD2 LEU A 54 -0.598 5.367 2.948 1.00 0.00 C ATOM 0 H LEU A 54 -3.412 1.398 3.183 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.346 2.265 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.421 3.484 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.491 3.799 3.904 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.502 4.625 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.432 6.865 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.712 5.635 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.207 6.228 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.196 6.258 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.885 5.606 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.162 4.586 2.957 1.00 0.00 H new ATOM 842 N PHE A 55 -0.470 2.685 4.714 1.00 0.00 N ATOM 843 CA PHE A 55 0.691 2.780 5.590 1.00 0.00 C ATOM 844 C PHE A 55 1.275 1.399 5.865 1.00 0.00 C ATOM 845 O PHE A 55 2.488 1.248 5.990 1.00 0.00 O ATOM 846 CB PHE A 55 0.324 3.471 6.907 1.00 0.00 C ATOM 847 CG PHE A 55 -0.462 2.610 7.856 1.00 0.00 C ATOM 848 CD1 PHE A 55 -1.825 2.439 7.689 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.165 1.974 8.916 1.00 0.00 C ATOM 850 CE1 PHE A 55 -2.550 1.651 8.562 1.00 0.00 C ATOM 851 CE2 PHE A 55 -0.554 1.185 9.792 1.00 0.00 C ATOM 852 CZ PHE A 55 -1.914 1.023 9.614 1.00 0.00 C ATOM 0 H PHE A 55 -1.359 2.910 5.160 1.00 0.00 H new ATOM 0 HA PHE A 55 1.446 3.381 5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.240 3.795 7.402 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.253 4.368 6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.328 2.927 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.228 2.097 9.058 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.614 1.526 8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.054 0.696 10.615 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.479 0.406 10.297 1.00 0.00 H new ATOM 862 N TYR A 56 0.403 0.398 5.971 1.00 0.00 N ATOM 863 CA TYR A 56 0.824 -0.948 6.354 1.00 0.00 C ATOM 864 C TYR A 56 1.736 -1.572 5.308 1.00 0.00 C ATOM 865 O TYR A 56 2.738 -2.201 5.647 1.00 0.00 O ATOM 866 CB TYR A 56 -0.388 -1.848 6.591 1.00 0.00 C ATOM 867 CG TYR A 56 -0.631 -2.153 8.051 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.431 -2.323 8.931 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.922 -2.273 8.549 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.216 -2.603 10.265 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.147 -2.554 9.883 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.075 -2.719 10.738 1.00 0.00 C ATOM 873 OH TYR A 56 -1.295 -2.999 12.066 1.00 0.00 O ATOM 0 H TYR A 56 -0.598 0.493 5.797 1.00 0.00 H new ATOM 0 HA TYR A 56 1.387 -0.857 7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.274 -1.369 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.248 -2.784 6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.443 -2.234 8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.763 -2.145 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.053 -2.731 10.935 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.157 -2.644 10.255 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.259 -3.046 12.235 1.00 0.00 H new ATOM 883 N LEU A 57 1.403 -1.387 4.038 1.00 0.00 N ATOM 884 CA LEU A 57 2.289 -1.809 2.965 1.00 0.00 C ATOM 885 C LEU A 57 3.611 -1.064 3.070 1.00 0.00 C ATOM 886 O LEU A 57 4.680 -1.669 3.018 1.00 0.00 O ATOM 887 CB LEU A 57 1.639 -1.559 1.599 1.00 0.00 C ATOM 888 CG LEU A 57 2.117 -2.465 0.456 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.583 -2.214 0.139 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.887 -3.929 0.797 1.00 0.00 C ATOM 0 H LEU A 57 0.534 -0.952 3.729 1.00 0.00 H new ATOM 0 HA LEU A 57 2.475 -2.879 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.560 -1.677 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.820 -0.522 1.316 1.00 0.00 H new ATOM 0 HG LEU A 57 1.532 -2.223 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.897 -2.869 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.718 -1.174 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.187 -2.419 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.233 -4.553 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.440 -4.183 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.823 -4.102 0.961 1.00 0.00 H new ATOM 902 N GLY A 58 3.528 0.250 3.270 1.00 0.00 N ATOM 903 CA GLY A 58 4.712 1.021 3.595 1.00 0.00 C ATOM 904 C GLY A 58 5.464 0.450 4.784 1.00 0.00 C ATOM 905 O GLY A 58 6.694 0.516 4.841 1.00 0.00 O ATOM 0 H GLY A 58 2.665 0.790 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.373 1.049 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.425 2.050 3.810 1.00 0.00 H new ATOM 909 N GLN A 59 4.723 -0.119 5.733 1.00 0.00 N ATOM 910 CA GLN A 59 5.328 -0.696 6.928 1.00 0.00 C ATOM 911 C GLN A 59 6.197 -1.893 6.567 1.00 0.00 C ATOM 912 O GLN A 59 7.388 -1.911 6.871 1.00 0.00 O ATOM 913 CB GLN A 59 4.255 -1.126 7.934 1.00 0.00 C ATOM 914 CG GLN A 59 3.442 0.025 8.506 1.00 0.00 C ATOM 915 CD GLN A 59 4.310 1.155 9.024 1.00 0.00 C ATOM 916 OE1 GLN A 59 4.702 1.167 10.191 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.612 2.115 8.157 1.00 0.00 N ATOM 0 H GLN A 59 3.706 -0.192 5.697 1.00 0.00 H new ATOM 0 HA GLN A 59 5.951 0.072 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.578 -1.829 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.735 -1.660 8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.773 0.410 7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.815 -0.346 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.265 2.065 7.199 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.191 2.903 8.449 1.00 0.00 H new ATOM 926 N TYR A 60 5.592 -2.899 5.937 1.00 0.00 N ATOM 927 CA TYR A 60 6.293 -4.147 5.658 1.00 0.00 C ATOM 928 C TYR A 60 7.567 -3.896 4.854 1.00 0.00 C ATOM 929 O TYR A 60 8.588 -4.546 5.077 1.00 0.00 O ATOM 930 CB TYR A 60 5.384 -5.119 4.907 1.00 0.00 C ATOM 931 CG TYR A 60 6.040 -6.443 4.600 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.030 -7.478 5.527 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.676 -6.659 3.386 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.631 -8.689 5.250 1.00 0.00 C ATOM 935 CE2 TYR A 60 7.281 -7.867 3.101 1.00 0.00 C ATOM 936 CZ TYR A 60 7.256 -8.880 4.036 1.00 0.00 C ATOM 937 OH TYR A 60 7.858 -10.084 3.757 1.00 0.00 O ATOM 0 H TYR A 60 4.625 -2.873 5.613 1.00 0.00 H new ATOM 0 HA TYR A 60 6.572 -4.591 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.487 -5.296 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.063 -4.656 3.974 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.544 -7.332 6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.698 -5.868 2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.612 -9.484 5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.771 -8.018 2.151 1.00 0.00 H new ATOM 0 HH TYR A 60 8.181 -10.489 4.589 1.00 0.00 H new ATOM 947 N ILE A 61 7.503 -2.945 3.927 1.00 0.00 N ATOM 948 CA ILE A 61 8.671 -2.569 3.136 1.00 0.00 C ATOM 949 C ILE A 61 9.813 -2.120 4.039 1.00 0.00 C ATOM 950 O ILE A 61 10.859 -2.764 4.106 1.00 0.00 O ATOM 951 CB ILE A 61 8.344 -1.427 2.154 1.00 0.00 C ATOM 952 CG1 ILE A 61 7.060 -1.728 1.389 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.495 -1.208 1.185 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.409 -0.491 0.821 1.00 0.00 C ATOM 0 H ILE A 61 6.656 -2.421 3.705 1.00 0.00 H new ATOM 0 HA ILE A 61 8.969 -3.452 2.571 1.00 0.00 H new ATOM 0 HB ILE A 61 8.198 -0.514 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.281 -2.421 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.357 -2.230 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.245 -0.398 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.395 -0.947 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.672 -2.122 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.500 -0.770 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.159 0.193 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.097 -0.001 0.132 1.00 0.00 H new ATOM 966 N MET A 62 9.605 -0.994 4.716 1.00 0.00 N ATOM 967 CA MET A 62 10.653 -0.382 5.526 1.00 0.00 C ATOM 968 C MET A 62 11.096 -1.299 6.664 1.00 0.00 C ATOM 969 O MET A 62 12.256 -1.274 7.076 1.00 0.00 O ATOM 970 CB MET A 62 10.165 0.950 6.098 1.00 0.00 C ATOM 971 CG MET A 62 9.658 1.914 5.040 1.00 0.00 C ATOM 972 SD MET A 62 9.112 3.486 5.735 1.00 0.00 S ATOM 973 CE MET A 62 8.607 4.355 4.254 1.00 0.00 C ATOM 0 H MET A 62 8.720 -0.487 4.719 1.00 0.00 H new ATOM 0 HA MET A 62 11.512 -0.211 4.877 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.367 0.758 6.815 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.980 1.421 6.647 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.449 2.098 4.313 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.831 1.453 4.501 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.244 5.347 4.521 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.458 4.449 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.811 3.798 3.759 1.00 0.00 H new ATOM 983 N THR A 63 10.159 -2.078 7.199 1.00 0.00 N ATOM 984 CA THR A 63 10.391 -2.800 8.447 1.00 0.00 C ATOM 985 C THR A 63 11.282 -4.021 8.236 1.00 0.00 C ATOM 986 O THR A 63 12.045 -4.400 9.125 1.00 0.00 O ATOM 987 CB THR A 63 9.070 -3.247 9.100 1.00 0.00 C ATOM 988 OG1 THR A 63 9.319 -3.732 10.426 1.00 0.00 O ATOM 989 CG2 THR A 63 8.399 -4.338 8.281 1.00 0.00 C ATOM 0 H THR A 63 9.236 -2.225 6.790 1.00 0.00 H new ATOM 0 HA THR A 63 10.898 -2.102 9.113 1.00 0.00 H new ATOM 0 HB THR A 63 8.405 -2.384 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.474 -4.013 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.468 -4.635 8.764 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.184 -3.962 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.063 -5.200 8.210 1.00 0.00 H new ATOM 997 N LYS A 64 11.167 -4.646 7.069 1.00 0.00 N ATOM 998 CA LYS A 64 11.875 -5.894 6.803 1.00 0.00 C ATOM 999 C LYS A 64 13.183 -5.635 6.067 1.00 0.00 C ATOM 1000 O LYS A 64 13.825 -6.560 5.567 1.00 0.00 O ATOM 1001 CB LYS A 64 10.992 -6.843 5.992 1.00 0.00 C ATOM 1002 CG LYS A 64 9.672 -7.171 6.670 1.00 0.00 C ATOM 1003 CD LYS A 64 9.881 -7.983 7.937 1.00 0.00 C ATOM 1004 CE LYS A 64 8.560 -8.297 8.622 1.00 0.00 C ATOM 1005 NZ LYS A 64 8.755 -9.091 9.867 1.00 0.00 N ATOM 0 H LYS A 64 10.593 -4.311 6.295 1.00 0.00 H new ATOM 0 HA LYS A 64 12.110 -6.360 7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.790 -6.396 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.538 -7.769 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.147 -6.247 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.037 -7.728 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.396 -8.912 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.525 -7.431 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.045 -7.367 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.918 -8.849 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.831 -9.284 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.223 -9.990 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.347 -8.554 10.532 1.00 0.00 H new ATOM 1019 N ARG A 65 13.573 -4.366 6.019 1.00 0.00 N ATOM 1020 CA ARG A 65 14.836 -3.961 5.407 1.00 0.00 C ATOM 1021 C ARG A 65 15.007 -4.577 4.023 1.00 0.00 C ATOM 1022 O ARG A 65 16.099 -5.011 3.657 1.00 0.00 O ATOM 1023 CB ARG A 65 16.011 -4.352 6.304 1.00 0.00 C ATOM 1024 CG ARG A 65 15.969 -3.707 7.680 1.00 0.00 C ATOM 1025 CD ARG A 65 17.155 -4.131 8.531 1.00 0.00 C ATOM 1026 NE ARG A 65 17.189 -5.576 8.741 1.00 0.00 N ATOM 1027 CZ ARG A 65 18.098 -6.190 9.490 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.047 -5.489 10.098 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.061 -7.508 9.634 1.00 0.00 N ATOM 0 H ARG A 65 13.028 -3.593 6.400 1.00 0.00 H new ATOM 0 HA ARG A 65 14.818 -2.877 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.023 -5.436 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.942 -4.074 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.965 -2.622 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.042 -3.982 8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.079 -3.813 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.108 -3.625 9.496 1.00 0.00 H new ATOM 0 HE ARG A 65 16.475 -6.145 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.080 -4.475 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.743 -5.964 10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.334 -8.052 9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.760 -7.978 10.210 1.00 0.00 H new ATOM 1043 N LEU A 66 13.924 -4.606 3.256 1.00 0.00 N ATOM 1044 CA LEU A 66 13.953 -5.171 1.915 1.00 0.00 C ATOM 1045 C LEU A 66 14.270 -4.096 0.881 1.00 0.00 C ATOM 1046 O LEU A 66 14.457 -4.392 -0.300 1.00 0.00 O ATOM 1047 CB LEU A 66 12.608 -5.821 1.600 1.00 0.00 C ATOM 1048 CG LEU A 66 12.099 -6.782 2.676 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.612 -7.030 2.505 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.871 -8.090 2.633 1.00 0.00 C ATOM 0 H LEU A 66 13.014 -4.244 3.541 1.00 0.00 H new ATOM 0 HA LEU A 66 14.738 -5.927 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.866 -5.037 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.693 -6.363 0.658 1.00 0.00 H new ATOM 0 HG LEU A 66 12.260 -6.324 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.266 -7.716 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.074 -6.086 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.426 -7.467 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.494 -8.760 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.744 -8.555 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.929 -7.894 2.807 1.00 0.00 H new ATOM 1062 N TYR A 67 14.338 -2.850 1.338 1.00 0.00 N ATOM 1063 CA TYR A 67 14.684 -1.732 0.467 1.00 0.00 C ATOM 1064 C TYR A 67 16.136 -1.830 0.010 1.00 0.00 C ATOM 1065 O TYR A 67 16.848 -2.767 0.371 1.00 0.00 O ATOM 1066 CB TYR A 67 14.453 -0.407 1.195 1.00 0.00 C ATOM 1067 CG TYR A 67 15.326 -0.224 2.414 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.979 -0.791 3.634 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.499 0.518 2.347 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.775 -0.624 4.752 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.300 0.689 3.459 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.935 0.117 4.657 1.00 0.00 C ATOM 1073 OH TYR A 67 17.730 0.285 5.768 1.00 0.00 O ATOM 0 H TYR A 67 14.158 -2.589 2.307 1.00 0.00 H new ATOM 0 HA TYR A 67 14.042 -1.773 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.635 0.415 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.407 -0.345 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.072 -1.372 3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.789 0.969 1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.491 -1.071 5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.209 1.269 3.389 1.00 0.00 H new ATOM 0 HH TYR A 67 18.509 0.831 5.533 1.00 0.00 H new ATOM 1083 N ASP A 68 16.568 -0.855 -0.783 1.00 0.00 N ATOM 1084 CA ASP A 68 17.945 -0.812 -1.260 1.00 0.00 C ATOM 1085 C ASP A 68 18.929 -0.759 -0.092 1.00 0.00 C ATOM 1086 O ASP A 68 19.329 -1.796 0.439 1.00 0.00 O ATOM 1087 CB ASP A 68 18.148 0.390 -2.189 1.00 0.00 C ATOM 1088 CG ASP A 68 19.608 0.624 -2.532 1.00 0.00 C ATOM 1089 OD1 ASP A 68 20.360 -0.366 -2.636 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.995 1.800 -2.699 1.00 0.00 O ATOM 0 H ASP A 68 15.984 -0.084 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 68 18.140 -1.726 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.584 0.233 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.743 1.284 -1.714 1.00 0.00 H new ATOM 1095 N GLU A 69 19.305 0.455 0.311 1.00 0.00 N ATOM 1096 CA GLU A 69 20.230 0.651 1.426 1.00 0.00 C ATOM 1097 C GLU A 69 20.576 2.126 1.584 1.00 0.00 C ATOM 1098 O GLU A 69 20.855 2.595 2.687 1.00 0.00 O ATOM 1099 CB GLU A 69 21.513 -0.159 1.214 1.00 0.00 C ATOM 1100 CG GLU A 69 22.256 0.201 -0.063 1.00 0.00 C ATOM 1101 CD GLU A 69 23.519 -0.616 -0.253 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.440 -1.696 -0.875 1.00 0.00 O ATOM 1103 OE2 GLU A 69 24.588 -0.175 0.221 1.00 0.00 O ATOM 0 H GLU A 69 18.981 1.321 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 69 19.738 0.303 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.175 -0.004 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.264 -1.220 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.597 0.048 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.512 1.260 -0.043 1.00 0.00 H new ATOM 1110 N LYS A 70 20.550 2.851 0.472 1.00 0.00 N ATOM 1111 CA LYS A 70 20.830 4.282 0.482 1.00 0.00 C ATOM 1112 C LYS A 70 19.728 5.039 -0.247 1.00 0.00 C ATOM 1113 O LYS A 70 19.210 6.038 0.252 1.00 0.00 O ATOM 1114 CB LYS A 70 22.187 4.566 -0.169 1.00 0.00 C ATOM 1115 CG LYS A 70 22.327 3.994 -1.569 1.00 0.00 C ATOM 1116 CD LYS A 70 23.689 4.308 -2.167 1.00 0.00 C ATOM 1117 CE LYS A 70 23.835 3.720 -3.561 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.167 4.017 -4.155 1.00 0.00 N ATOM 0 H LYS A 70 20.337 2.470 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 70 20.864 4.622 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 70 22.341 5.644 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.975 4.155 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.183 2.914 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.545 4.402 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.828 5.388 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.472 3.912 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.691 2.641 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.053 4.119 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.225 3.598 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.295 5.047 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.913 3.614 -3.553 1.00 0.00 H new ATOM 1132 N GLN A 71 19.336 4.518 -1.403 1.00 0.00 N ATOM 1133 CA GLN A 71 18.081 4.906 -2.030 1.00 0.00 C ATOM 1134 C GLN A 71 16.967 3.961 -1.597 1.00 0.00 C ATOM 1135 O GLN A 71 16.568 3.072 -2.348 1.00 0.00 O ATOM 1136 CB GLN A 71 18.220 4.898 -3.552 1.00 0.00 C ATOM 1137 CG GLN A 71 19.280 5.856 -4.071 1.00 0.00 C ATOM 1138 CD GLN A 71 19.392 5.842 -5.583 1.00 0.00 C ATOM 1139 OE1 GLN A 71 19.137 4.824 -6.227 1.00 0.00 O ATOM 1140 NE2 GLN A 71 19.774 6.977 -6.159 1.00 0.00 N ATOM 0 H GLN A 71 19.871 3.824 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 71 17.829 5.918 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.463 3.888 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.259 5.156 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.045 6.867 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.245 5.594 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.975 7.797 -5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.866 7.028 -7.174 1.00 0.00 H new ATOM 1149 N GLN A 72 16.497 4.141 -0.365 1.00 0.00 N ATOM 1150 CA GLN A 72 15.547 3.214 0.245 1.00 0.00 C ATOM 1151 C GLN A 72 14.299 3.055 -0.617 1.00 0.00 C ATOM 1152 O GLN A 72 13.525 2.115 -0.436 1.00 0.00 O ATOM 1153 CB GLN A 72 15.155 3.699 1.642 1.00 0.00 C ATOM 1154 CG GLN A 72 16.343 3.932 2.564 1.00 0.00 C ATOM 1155 CD GLN A 72 16.722 5.398 2.685 1.00 0.00 C ATOM 1156 OE1 GLN A 72 16.441 6.176 1.645 1.00 0.00 O flip ATOM 1157 NE2 GLN A 72 17.257 5.829 3.707 1.00 0.00 N flip ATOM 0 H GLN A 72 16.760 4.924 0.233 1.00 0.00 H new ATOM 0 HA GLN A 72 16.034 2.242 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.590 4.627 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.490 2.966 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.110 3.540 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.200 3.370 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.456 5.198 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.501 6.817 3.777 1.00 0.00 H new ATOM 1166 N HIS A 73 14.111 3.975 -1.559 1.00 0.00 N ATOM 1167 CA HIS A 73 12.974 3.913 -2.468 1.00 0.00 C ATOM 1168 C HIS A 73 13.235 2.935 -3.609 1.00 0.00 C ATOM 1169 O HIS A 73 12.493 2.905 -4.588 1.00 0.00 O ATOM 1170 CB HIS A 73 12.668 5.301 -3.034 1.00 0.00 C ATOM 1171 CG HIS A 73 13.770 5.870 -3.872 1.00 0.00 C ATOM 1172 ND1 HIS A 73 15.013 6.289 -3.537 1.00 0.00 N flip ATOM 1173 CD2 HIS A 73 13.653 6.073 -5.232 1.00 0.00 C flip ATOM 1174 CE1 HIS A 73 15.617 6.731 -4.687 1.00 0.00 C flip ATOM 1175 NE2 HIS A 73 14.778 6.589 -5.696 1.00 0.00 N flip ATOM 0 H HIS A 73 14.731 4.770 -1.712 1.00 0.00 H new ATOM 0 HA HIS A 73 12.113 3.559 -1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.760 5.246 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.464 5.983 -2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.779 5.846 -5.824 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.618 7.131 -4.756 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.966 6.835 -6.668 1.00 0.00 H new ATOM 1184 N ILE A 74 14.278 2.117 -3.474 1.00 0.00 N ATOM 1185 CA ILE A 74 14.507 1.025 -4.412 1.00 0.00 C ATOM 1186 C ILE A 74 14.472 -0.314 -3.692 1.00 0.00 C ATOM 1187 O ILE A 74 15.501 -0.818 -3.239 1.00 0.00 O ATOM 1188 CB ILE A 74 15.854 1.168 -5.148 1.00 0.00 C ATOM 1189 CG1 ILE A 74 16.095 2.623 -5.555 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.881 0.268 -6.373 1.00 0.00 C ATOM 1191 CD1 ILE A 74 15.010 3.193 -6.445 1.00 0.00 C ATOM 0 H ILE A 74 14.971 2.190 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 74 13.706 1.070 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 74 16.651 0.864 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.174 3.234 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.052 2.693 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.837 0.378 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.751 -0.770 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.074 0.549 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.249 4.227 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.945 2.606 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.054 3.156 -5.922 1.00 0.00 H new ATOM 1203 N VAL A 75 13.273 -0.864 -3.550 1.00 0.00 N ATOM 1204 CA VAL A 75 13.056 -2.003 -2.669 1.00 0.00 C ATOM 1205 C VAL A 75 13.268 -3.319 -3.400 1.00 0.00 C ATOM 1206 O VAL A 75 12.375 -3.804 -4.096 1.00 0.00 O ATOM 1207 CB VAL A 75 11.638 -1.995 -2.080 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.579 -2.839 -0.817 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.181 -0.571 -1.816 1.00 0.00 C ATOM 0 H VAL A 75 12.436 -0.539 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 75 13.785 -1.913 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 75 10.955 -2.436 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.566 -2.821 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.858 -3.866 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.271 -2.436 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.174 -0.583 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.861 -0.096 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.179 -0.010 -2.751 1.00 0.00 H new ATOM 1219 N TYR A 76 14.450 -3.897 -3.223 1.00 0.00 N ATOM 1220 CA TYR A 76 14.755 -5.205 -3.786 1.00 0.00 C ATOM 1221 C TYR A 76 13.948 -6.297 -3.093 1.00 0.00 C ATOM 1222 O TYR A 76 14.152 -6.582 -1.912 1.00 0.00 O ATOM 1223 CB TYR A 76 16.251 -5.491 -3.661 1.00 0.00 C ATOM 1224 CG TYR A 76 17.120 -4.310 -4.035 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.749 -3.445 -5.059 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.311 -4.058 -3.365 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.540 -2.366 -5.401 1.00 0.00 C ATOM 1228 CE2 TYR A 76 19.106 -2.981 -3.703 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.716 -2.139 -4.722 1.00 0.00 C ATOM 1230 OH TYR A 76 19.506 -1.065 -5.063 1.00 0.00 O ATOM 0 H TYR A 76 15.214 -3.479 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 76 14.481 -5.199 -4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.473 -5.786 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.506 -6.337 -4.299 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.828 -3.620 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.620 -4.716 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.237 -1.703 -6.198 1.00 0.00 H new ATOM 0 HE2 TYR A 76 20.029 -2.799 -3.172 1.00 0.00 H new ATOM 0 HH TYR A 76 20.161 -0.902 -4.352 1.00 0.00 H new ATOM 1240 N CYS A 77 13.016 -6.895 -3.831 1.00 0.00 N ATOM 1241 CA CYS A 77 12.105 -7.881 -3.260 1.00 0.00 C ATOM 1242 C CYS A 77 11.821 -9.005 -4.252 1.00 0.00 C ATOM 1243 O CYS A 77 10.739 -9.077 -4.835 1.00 0.00 O ATOM 1244 CB CYS A 77 10.796 -7.207 -2.835 1.00 0.00 C ATOM 1245 SG CYS A 77 9.930 -6.360 -4.179 1.00 0.00 S ATOM 0 H CYS A 77 12.873 -6.714 -4.824 1.00 0.00 H new ATOM 0 HA CYS A 77 12.583 -8.316 -2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.134 -7.961 -2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.010 -6.487 -2.045 1.00 0.00 H new ATOM 0 HG CYS A 77 9.501 -5.207 -3.760 1.00 0.00 H new ATOM 1251 N SER A 78 12.798 -9.889 -4.434 1.00 0.00 N ATOM 1252 CA SER A 78 12.639 -11.031 -5.327 1.00 0.00 C ATOM 1253 C SER A 78 12.240 -12.278 -4.547 1.00 0.00 C ATOM 1254 O SER A 78 11.798 -13.271 -5.126 1.00 0.00 O ATOM 1255 CB SER A 78 13.936 -11.289 -6.096 1.00 0.00 C ATOM 1256 OG SER A 78 13.801 -12.397 -6.969 1.00 0.00 O ATOM 0 H SER A 78 13.707 -9.836 -3.975 1.00 0.00 H new ATOM 0 HA SER A 78 11.845 -10.798 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.205 -10.402 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.748 -11.473 -5.393 1.00 0.00 H new ATOM 0 HG SER A 78 13.011 -12.919 -6.716 1.00 0.00 H new ATOM 1262 N ASN A 79 12.399 -12.216 -3.231 1.00 0.00 N ATOM 1263 CA ASN A 79 12.060 -13.337 -2.361 1.00 0.00 C ATOM 1264 C ASN A 79 11.307 -12.853 -1.125 1.00 0.00 C ATOM 1265 O ASN A 79 11.628 -13.239 0.000 1.00 0.00 O ATOM 1266 CB ASN A 79 13.327 -14.088 -1.943 1.00 0.00 C ATOM 1267 CG ASN A 79 14.057 -14.699 -3.123 1.00 0.00 C ATOM 1268 OD1 ASN A 79 13.441 -15.091 -4.114 1.00 0.00 O ATOM 1269 ND2 ASN A 79 15.378 -14.782 -3.022 1.00 0.00 N ATOM 0 H ASN A 79 12.762 -11.399 -2.741 1.00 0.00 H new ATOM 0 HA ASN A 79 11.413 -14.016 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.996 -13.403 -1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.062 -14.875 -1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.924 -15.183 -3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.847 -14.444 -2.182 1.00 0.00 H new ATOM 1276 N ASP A 80 10.314 -11.999 -1.340 1.00 0.00 N ATOM 1277 CA ASP A 80 9.557 -11.412 -0.241 1.00 0.00 C ATOM 1278 C ASP A 80 8.056 -11.574 -0.462 1.00 0.00 C ATOM 1279 O ASP A 80 7.602 -11.811 -1.583 1.00 0.00 O ATOM 1280 CB ASP A 80 9.903 -9.929 -0.094 1.00 0.00 C ATOM 1281 CG ASP A 80 11.377 -9.706 0.182 1.00 0.00 C ATOM 1282 OD1 ASP A 80 11.983 -10.544 0.885 1.00 0.00 O ATOM 1283 OD2 ASP A 80 11.926 -8.695 -0.302 1.00 0.00 O ATOM 0 H ASP A 80 10.014 -11.697 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 80 9.829 -11.937 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.622 -9.401 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.315 -9.500 0.717 1.00 0.00 H new ATOM 1288 N LEU A 81 7.285 -11.417 0.610 1.00 0.00 N ATOM 1289 CA LEU A 81 5.832 -11.374 0.500 1.00 0.00 C ATOM 1290 C LEU A 81 5.405 -10.219 -0.397 1.00 0.00 C ATOM 1291 O LEU A 81 4.470 -10.347 -1.193 1.00 0.00 O ATOM 1292 CB LEU A 81 5.191 -11.237 1.885 1.00 0.00 C ATOM 1293 CG LEU A 81 5.179 -12.514 2.733 1.00 0.00 C ATOM 1294 CD1 LEU A 81 4.435 -13.629 2.013 1.00 0.00 C ATOM 1295 CD2 LEU A 81 6.596 -12.951 3.076 1.00 0.00 C ATOM 0 H LEU A 81 7.641 -11.318 1.561 1.00 0.00 H new ATOM 0 HA LEU A 81 5.491 -12.308 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.720 -10.460 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.164 -10.895 1.759 1.00 0.00 H new ATOM 0 HG LEU A 81 4.656 -12.297 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.438 -14.527 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.407 -13.319 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.927 -13.841 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.561 -13.859 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.149 -13.146 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.094 -12.162 3.639 1.00 0.00 H new ATOM 1307 N LEU A 82 6.120 -9.102 -0.293 1.00 0.00 N ATOM 1308 CA LEU A 82 5.951 -7.999 -1.229 1.00 0.00 C ATOM 1309 C LEU A 82 6.168 -8.484 -2.658 1.00 0.00 C ATOM 1310 O LEU A 82 5.549 -7.990 -3.598 1.00 0.00 O ATOM 1311 CB LEU A 82 6.937 -6.871 -0.914 1.00 0.00 C ATOM 1312 CG LEU A 82 6.348 -5.455 -0.959 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.676 -5.194 -2.301 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.361 -5.253 0.180 1.00 0.00 C ATOM 0 H LEU A 82 6.821 -8.939 0.430 1.00 0.00 H new ATOM 0 HA LEU A 82 4.935 -7.618 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.354 -7.042 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.764 -6.925 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 82 7.163 -4.741 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.265 -4.185 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.409 -5.296 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.872 -5.915 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.953 -4.243 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.551 -5.977 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.871 -5.394 1.133 1.00 0.00 H new ATOM 1326 N GLY A 83 7.053 -9.466 -2.805 1.00 0.00 N ATOM 1327 CA GLY A 83 7.309 -10.052 -4.108 1.00 0.00 C ATOM 1328 C GLY A 83 6.082 -10.723 -4.691 1.00 0.00 C ATOM 1329 O GLY A 83 5.798 -10.580 -5.880 1.00 0.00 O ATOM 0 H GLY A 83 7.599 -9.867 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.654 -9.276 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.113 -10.783 -4.023 1.00 0.00 H new ATOM 1333 N ASP A 84 5.341 -11.441 -3.850 1.00 0.00 N ATOM 1334 CA ASP A 84 4.077 -12.036 -4.272 1.00 0.00 C ATOM 1335 C ASP A 84 3.160 -10.978 -4.875 1.00 0.00 C ATOM 1336 O ASP A 84 2.416 -11.248 -5.817 1.00 0.00 O ATOM 1337 CB ASP A 84 3.376 -12.721 -3.094 1.00 0.00 C ATOM 1338 CG ASP A 84 4.231 -13.802 -2.461 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.007 -13.481 -1.539 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.122 -14.970 -2.890 1.00 0.00 O ATOM 0 H ASP A 84 5.592 -11.624 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 84 4.298 -12.786 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.123 -11.974 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.438 -13.158 -3.437 1.00 0.00 H new ATOM 1345 N LEU A 85 3.238 -9.763 -4.338 1.00 0.00 N ATOM 1346 CA LEU A 85 2.503 -8.632 -4.896 1.00 0.00 C ATOM 1347 C LEU A 85 3.021 -8.277 -6.279 1.00 0.00 C ATOM 1348 O LEU A 85 2.413 -8.619 -7.294 1.00 0.00 O ATOM 1349 CB LEU A 85 2.624 -7.412 -3.985 1.00 0.00 C ATOM 1350 CG LEU A 85 1.950 -7.556 -2.627 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.274 -6.363 -1.740 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.450 -7.707 -2.803 1.00 0.00 C ATOM 0 H LEU A 85 3.802 -9.537 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 85 1.456 -8.924 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.681 -7.197 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.196 -6.550 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 85 2.333 -8.452 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.784 -6.484 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.352 -6.300 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.918 -5.449 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.022 -7.809 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.052 -6.827 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.241 -8.594 -3.402 1.00 0.00 H new ATOM 1364 N PHE A 86 4.134 -7.560 -6.303 1.00 0.00 N ATOM 1365 CA PHE A 86 4.642 -6.986 -7.540 1.00 0.00 C ATOM 1366 C PHE A 86 5.490 -7.994 -8.306 1.00 0.00 C ATOM 1367 O PHE A 86 5.201 -8.317 -9.459 1.00 0.00 O ATOM 1368 CB PHE A 86 5.466 -5.726 -7.250 1.00 0.00 C ATOM 1369 CG PHE A 86 4.664 -4.568 -6.718 1.00 0.00 C ATOM 1370 CD1 PHE A 86 3.285 -4.655 -6.583 1.00 0.00 C ATOM 1371 CD2 PHE A 86 5.294 -3.385 -6.356 1.00 0.00 C ATOM 1372 CE1 PHE A 86 2.555 -3.588 -6.097 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.566 -2.317 -5.869 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.195 -2.419 -5.740 1.00 0.00 C ATOM 0 H PHE A 86 4.703 -7.362 -5.480 1.00 0.00 H new ATOM 0 HA PHE A 86 3.785 -6.717 -8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.245 -5.974 -6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.967 -5.415 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.778 -5.567 -6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.366 -3.299 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.483 -3.669 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.069 -1.403 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.624 -1.585 -5.360 1.00 0.00 H new ATOM 1384 N GLY A 87 6.547 -8.478 -7.661 1.00 0.00 N ATOM 1385 CA GLY A 87 7.465 -9.390 -8.318 1.00 0.00 C ATOM 1386 C GLY A 87 8.702 -8.685 -8.840 1.00 0.00 C ATOM 1387 O GLY A 87 9.723 -9.320 -9.100 1.00 0.00 O ATOM 0 H GLY A 87 6.784 -8.255 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.763 -10.170 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.954 -9.883 -9.145 1.00 0.00 H new ATOM 1391 N VAL A 88 8.605 -7.365 -8.990 1.00 0.00 N ATOM 1392 CA VAL A 88 9.717 -6.559 -9.459 1.00 0.00 C ATOM 1393 C VAL A 88 10.991 -6.856 -8.678 1.00 0.00 C ATOM 1394 O VAL A 88 10.945 -7.095 -7.471 1.00 0.00 O ATOM 1395 CB VAL A 88 9.408 -5.061 -9.323 1.00 0.00 C ATOM 1396 CG1 VAL A 88 10.261 -4.272 -10.287 1.00 0.00 C ATOM 1397 CG2 VAL A 88 7.931 -4.781 -9.552 1.00 0.00 C ATOM 0 H VAL A 88 7.758 -6.833 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 88 9.866 -6.815 -10.508 1.00 0.00 H new ATOM 0 HB VAL A 88 9.646 -4.749 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.037 -3.210 -10.186 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.314 -4.444 -10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.048 -4.592 -11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.743 -3.712 -9.449 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.651 -5.104 -10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.339 -5.326 -8.817 1.00 0.00 H new ATOM 1407 N PRO A 89 12.155 -6.786 -9.348 1.00 0.00 N ATOM 1408 CA PRO A 89 13.447 -6.724 -8.668 1.00 0.00 C ATOM 1409 C PRO A 89 13.498 -5.612 -7.625 1.00 0.00 C ATOM 1410 O PRO A 89 14.156 -5.748 -6.597 1.00 0.00 O ATOM 1411 CB PRO A 89 14.453 -6.449 -9.797 1.00 0.00 C ATOM 1412 CG PRO A 89 13.631 -6.045 -10.975 1.00 0.00 C ATOM 1413 CD PRO A 89 12.306 -6.727 -10.808 1.00 0.00 C ATOM 0 HA PRO A 89 13.655 -7.643 -8.120 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.151 -5.660 -9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.046 -7.336 -10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.510 -4.962 -11.014 1.00 0.00 H new ATOM 0 HG3 PRO A 89 14.110 -6.346 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.499 -6.164 -11.276 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.303 -7.721 -11.256 1.00 0.00 H new ATOM 1421 N SER A 90 12.798 -4.512 -7.899 1.00 0.00 N ATOM 1422 CA SER A 90 12.792 -3.362 -6.999 1.00 0.00 C ATOM 1423 C SER A 90 11.629 -2.425 -7.319 1.00 0.00 C ATOM 1424 O SER A 90 11.316 -2.200 -8.488 1.00 0.00 O ATOM 1425 CB SER A 90 14.112 -2.599 -7.101 1.00 0.00 C ATOM 1426 OG SER A 90 14.375 -2.211 -8.439 1.00 0.00 O ATOM 0 H SER A 90 12.228 -4.394 -8.737 1.00 0.00 H new ATOM 0 HA SER A 90 12.671 -3.733 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.075 -1.716 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.926 -3.224 -6.733 1.00 0.00 H new ATOM 0 HG SER A 90 15.224 -1.723 -8.477 1.00 0.00 H new ATOM 1432 N PHE A 91 10.999 -1.868 -6.287 1.00 0.00 N ATOM 1433 CA PHE A 91 9.893 -0.936 -6.501 1.00 0.00 C ATOM 1434 C PHE A 91 10.124 0.383 -5.771 1.00 0.00 C ATOM 1435 O PHE A 91 10.773 0.422 -4.727 1.00 0.00 O ATOM 1436 CB PHE A 91 8.559 -1.557 -6.064 1.00 0.00 C ATOM 1437 CG PHE A 91 8.462 -1.879 -4.598 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.059 -0.916 -3.683 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.755 -3.152 -4.137 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.951 -1.218 -2.340 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.653 -3.458 -2.792 1.00 0.00 C ATOM 1442 CZ PHE A 91 8.250 -2.490 -1.893 1.00 0.00 C ATOM 0 H PHE A 91 11.230 -2.041 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 91 9.847 -0.728 -7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.753 -0.871 -6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.397 -2.472 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.827 0.082 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.067 -3.914 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.633 -0.460 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.888 -4.453 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.169 -2.727 -0.843 1.00 0.00 H new ATOM 1452 N SER A 92 9.597 1.465 -6.341 1.00 0.00 N ATOM 1453 CA SER A 92 9.798 2.798 -5.788 1.00 0.00 C ATOM 1454 C SER A 92 8.643 3.192 -4.876 1.00 0.00 C ATOM 1455 O SER A 92 7.488 3.212 -5.297 1.00 0.00 O ATOM 1456 CB SER A 92 9.952 3.826 -6.910 1.00 0.00 C ATOM 1457 OG SER A 92 10.031 5.142 -6.392 1.00 0.00 O ATOM 0 H SER A 92 9.027 1.442 -7.187 1.00 0.00 H new ATOM 0 HA SER A 92 10.713 2.780 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.849 3.605 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.106 3.752 -7.594 1.00 0.00 H new ATOM 0 HG SER A 92 10.131 5.779 -7.130 1.00 0.00 H new ATOM 1463 N VAL A 93 8.969 3.501 -3.626 1.00 0.00 N ATOM 1464 CA VAL A 93 7.960 3.851 -2.632 1.00 0.00 C ATOM 1465 C VAL A 93 7.707 5.349 -2.609 1.00 0.00 C ATOM 1466 O VAL A 93 6.612 5.797 -2.265 1.00 0.00 O ATOM 1467 CB VAL A 93 8.372 3.401 -1.220 1.00 0.00 C ATOM 1468 CG1 VAL A 93 7.487 2.262 -0.740 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.832 3.002 -1.193 1.00 0.00 C ATOM 0 H VAL A 93 9.927 3.516 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 93 7.048 3.329 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 93 8.239 4.241 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.795 1.959 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.449 2.593 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.582 1.416 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.104 2.687 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.997 2.179 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.447 3.853 -1.486 1.00 0.00 H new ATOM 1479 N LYS A 94 8.724 6.124 -2.973 1.00 0.00 N ATOM 1480 CA LYS A 94 8.602 7.573 -2.978 1.00 0.00 C ATOM 1481 C LYS A 94 7.422 8.010 -3.841 1.00 0.00 C ATOM 1482 O LYS A 94 6.859 9.087 -3.646 1.00 0.00 O ATOM 1483 CB LYS A 94 9.890 8.224 -3.484 1.00 0.00 C ATOM 1484 CG LYS A 94 11.014 8.221 -2.462 1.00 0.00 C ATOM 1485 CD LYS A 94 12.239 8.960 -2.978 1.00 0.00 C ATOM 1486 CE LYS A 94 13.323 9.054 -1.916 1.00 0.00 C ATOM 1487 NZ LYS A 94 14.520 9.789 -2.408 1.00 0.00 N ATOM 0 H LYS A 94 9.636 5.773 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 94 8.427 7.899 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.224 7.701 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.677 9.253 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.669 8.687 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.283 7.193 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.632 8.446 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.953 9.962 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.925 9.557 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.615 8.051 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.236 9.831 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.915 9.295 -3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.247 10.755 -2.680 1.00 0.00 H new ATOM 1501 N GLU A 95 7.049 7.153 -4.786 1.00 0.00 N ATOM 1502 CA GLU A 95 5.887 7.400 -5.634 1.00 0.00 C ATOM 1503 C GLU A 95 4.716 6.508 -5.223 1.00 0.00 C ATOM 1504 O GLU A 95 4.440 5.492 -5.863 1.00 0.00 O ATOM 1505 CB GLU A 95 6.245 7.163 -7.104 1.00 0.00 C ATOM 1506 CG GLU A 95 6.946 5.836 -7.358 1.00 0.00 C ATOM 1507 CD GLU A 95 7.292 5.630 -8.820 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.661 6.619 -9.487 1.00 0.00 O ATOM 1509 OE2 GLU A 95 7.196 4.481 -9.297 1.00 0.00 O ATOM 0 H GLU A 95 7.536 6.279 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 95 5.585 8.440 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.334 7.202 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.887 7.974 -7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.858 5.791 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.306 5.021 -7.022 1.00 0.00 H new ATOM 1516 N HIS A 96 4.039 6.889 -4.143 1.00 0.00 N ATOM 1517 CA HIS A 96 2.962 6.075 -3.584 1.00 0.00 C ATOM 1518 C HIS A 96 1.818 5.911 -4.580 1.00 0.00 C ATOM 1519 O HIS A 96 0.943 5.067 -4.398 1.00 0.00 O ATOM 1520 CB HIS A 96 2.445 6.699 -2.288 1.00 0.00 C ATOM 1521 CG HIS A 96 3.516 6.943 -1.272 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.118 8.172 -1.093 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.094 6.110 -0.375 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.019 8.083 -0.131 1.00 0.00 C ATOM 1525 NE2 HIS A 96 5.023 6.842 0.322 1.00 0.00 N ATOM 0 H HIS A 96 4.217 7.757 -3.637 1.00 0.00 H new ATOM 0 HA HIS A 96 3.367 5.086 -3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.954 7.644 -2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.688 6.044 -1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.866 5.064 -0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.646 8.888 0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.620 6.486 1.069 1.00 0.00 H new ATOM 1534 N ARG A 97 1.840 6.714 -5.637 1.00 0.00 N ATOM 1535 CA ARG A 97 0.830 6.625 -6.686 1.00 0.00 C ATOM 1536 C ARG A 97 0.917 5.286 -7.413 1.00 0.00 C ATOM 1537 O ARG A 97 -0.058 4.537 -7.478 1.00 0.00 O ATOM 1538 CB ARG A 97 1.002 7.775 -7.681 1.00 0.00 C ATOM 1539 CG ARG A 97 0.004 7.747 -8.827 1.00 0.00 C ATOM 1540 CD ARG A 97 0.260 8.875 -9.813 1.00 0.00 C ATOM 1541 NE ARG A 97 1.590 8.788 -10.409 1.00 0.00 N ATOM 1542 CZ ARG A 97 2.037 9.629 -11.338 1.00 0.00 C ATOM 1543 NH1 ARG A 97 1.263 10.613 -11.777 1.00 0.00 N ATOM 1544 NH2 ARG A 97 3.261 9.486 -11.831 1.00 0.00 N ATOM 0 H ARG A 97 2.546 7.434 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.153 6.699 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.904 8.721 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.012 7.742 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.067 6.789 -9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.008 7.830 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.493 8.846 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.153 9.833 -9.304 1.00 0.00 H new ATOM 0 HE ARG A 97 2.211 8.041 -10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.321 10.727 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.610 11.256 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.860 8.731 -11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.603 10.131 -12.543 1.00 0.00 H new ATOM 1558 N LYS A 98 2.087 5.001 -7.982 1.00 0.00 N ATOM 1559 CA LYS A 98 2.258 3.829 -8.833 1.00 0.00 C ATOM 1560 C LYS A 98 2.131 2.540 -8.033 1.00 0.00 C ATOM 1561 O LYS A 98 1.370 1.649 -8.399 1.00 0.00 O ATOM 1562 CB LYS A 98 3.615 3.876 -9.540 1.00 0.00 C ATOM 1563 CG LYS A 98 3.836 2.729 -10.511 1.00 0.00 C ATOM 1564 CD LYS A 98 5.196 2.818 -11.181 1.00 0.00 C ATOM 1565 CE LYS A 98 5.409 1.681 -12.167 1.00 0.00 C ATOM 1566 NZ LYS A 98 6.739 1.761 -12.830 1.00 0.00 N ATOM 0 H LYS A 98 2.929 5.566 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 98 1.465 3.843 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.702 4.819 -10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.406 3.864 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.753 1.781 -9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.054 2.739 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.285 3.772 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.978 2.794 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.320 0.728 -11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.625 1.705 -12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.844 0.968 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.815 2.659 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.489 1.712 -12.111 1.00 0.00 H new ATOM 1580 N ILE A 99 2.874 2.455 -6.935 1.00 0.00 N ATOM 1581 CA ILE A 99 2.775 1.311 -6.028 1.00 0.00 C ATOM 1582 C ILE A 99 1.327 0.994 -5.733 1.00 0.00 C ATOM 1583 O ILE A 99 0.854 -0.117 -5.971 1.00 0.00 O ATOM 1584 CB ILE A 99 3.466 1.586 -4.683 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.683 2.460 -4.875 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.866 0.293 -3.992 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.887 3.380 -3.706 1.00 0.00 C ATOM 0 H ILE A 99 3.551 3.162 -6.649 1.00 0.00 H new ATOM 0 HA ILE A 99 3.265 0.476 -6.529 1.00 0.00 H new ATOM 0 HB ILE A 99 2.749 2.108 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.566 1.834 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.571 3.047 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.352 0.523 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.978 -0.311 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.556 -0.261 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.771 3.995 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.014 4.023 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.024 2.791 -2.799 1.00 0.00 H new ATOM 1599 N TYR A 100 0.647 1.965 -5.145 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.584 1.694 -4.442 1.00 0.00 C ATOM 1601 C TYR A 100 -1.704 1.363 -5.423 1.00 0.00 C ATOM 1602 O TYR A 100 -2.668 0.676 -5.078 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.961 2.882 -3.560 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.069 3.004 -2.346 1.00 0.00 C ATOM 1605 CD1 TYR A 100 1.069 2.215 -2.224 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.362 3.895 -1.322 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.886 2.308 -1.122 1.00 0.00 C ATOM 1608 CE2 TYR A 100 0.455 3.994 -0.212 1.00 0.00 C ATOM 1609 CZ TYR A 100 1.578 3.198 -0.116 1.00 0.00 C ATOM 1610 OH TYR A 100 2.395 3.294 0.987 1.00 0.00 O ATOM 0 H TYR A 100 0.931 2.945 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.435 0.825 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.901 3.799 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.997 2.777 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.316 1.516 -3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.240 4.519 -1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.766 1.686 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.216 4.691 0.577 1.00 0.00 H new ATOM 0 HH TYR A 100 1.944 2.901 1.763 1.00 0.00 H new ATOM 1620 N THR A 101 -1.560 1.852 -6.653 1.00 0.00 N ATOM 1621 CA THR A 101 -2.550 1.610 -7.696 1.00 0.00 C ATOM 1622 C THR A 101 -2.410 0.206 -8.278 1.00 0.00 C ATOM 1623 O THR A 101 -3.401 -0.418 -8.659 1.00 0.00 O ATOM 1624 CB THR A 101 -2.436 2.645 -8.835 1.00 0.00 C ATOM 1625 OG1 THR A 101 -3.588 2.569 -9.684 1.00 0.00 O ATOM 1626 CG2 THR A 101 -1.182 2.414 -9.661 1.00 0.00 C ATOM 0 H THR A 101 -0.766 2.419 -6.950 1.00 0.00 H new ATOM 0 HA THR A 101 -3.529 1.707 -7.227 1.00 0.00 H new ATOM 0 HB THR A 101 -2.377 3.636 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.509 3.230 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.128 3.158 -10.456 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.304 2.502 -9.021 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.213 1.416 -10.099 1.00 0.00 H new ATOM 1634 N MET A 102 -1.176 -0.294 -8.336 1.00 0.00 N ATOM 1635 CA MET A 102 -0.927 -1.648 -8.820 1.00 0.00 C ATOM 1636 C MET A 102 -1.029 -2.657 -7.682 1.00 0.00 C ATOM 1637 O MET A 102 -0.951 -3.866 -7.902 1.00 0.00 O ATOM 1638 CB MET A 102 0.447 -1.740 -9.494 1.00 0.00 C ATOM 1639 CG MET A 102 1.597 -1.266 -8.621 1.00 0.00 C ATOM 1640 SD MET A 102 3.175 -1.255 -9.498 1.00 0.00 S ATOM 1641 CE MET A 102 4.163 -0.214 -8.424 1.00 0.00 C ATOM 0 H MET A 102 -0.339 0.216 -8.055 1.00 0.00 H new ATOM 0 HA MET A 102 -1.691 -1.887 -9.560 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.628 -2.774 -9.786 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.432 -1.148 -10.409 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.381 -0.262 -8.256 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.676 -1.913 -7.747 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.166 -0.631 -8.336 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.223 0.790 -8.845 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.701 -0.167 -7.438 1.00 0.00 H new ATOM 1651 N ILE A 103 -1.253 -2.155 -6.472 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.654 -3.001 -5.355 1.00 0.00 C ATOM 1653 C ILE A 103 -3.150 -3.292 -5.410 1.00 0.00 C ATOM 1654 O ILE A 103 -3.578 -4.432 -5.234 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.313 -2.352 -3.999 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.202 -2.186 -3.856 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.870 -3.187 -2.854 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.615 -1.415 -2.620 1.00 0.00 C ATOM 0 H ILE A 103 -1.163 -1.166 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.097 -3.933 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.774 -1.365 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.666 -3.172 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.588 -1.675 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.620 -2.714 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.953 -3.259 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.436 -4.186 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.702 -1.337 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.181 -0.416 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.260 -1.936 -1.731 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.938 -2.253 -5.673 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.379 -2.410 -5.843 1.00 0.00 C ATOM 1672 C TYR A 104 -5.735 -2.605 -7.313 1.00 0.00 C ATOM 1673 O TYR A 104 -5.839 -1.639 -8.071 1.00 0.00 O ATOM 1674 CB TYR A 104 -6.119 -1.192 -5.286 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.996 -1.039 -3.787 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -6.883 -1.679 -2.931 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.997 -0.254 -3.229 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -6.777 -1.541 -1.560 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.884 -0.111 -1.859 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.776 -0.756 -1.030 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.668 -0.616 0.333 1.00 0.00 O ATOM 0 H TYR A 104 -3.603 -1.295 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.688 -3.297 -5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.734 -0.293 -5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.174 -1.267 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.669 -2.295 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.296 0.253 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.475 -2.045 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.101 0.503 -1.440 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.205 -1.306 0.776 1.00 0.00 H new