USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 587 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 Single : A 23 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.05) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0296 (180deg=-0.197) USER MOD Single : A 29 GLN : amide:sc= -2.41 K(o=-2.4,f=-4.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 114:sc= 1.28 USER MOD Single : A 35 HIS : no HD1:sc=-0.00996 K(o=-0.01,f=-4.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -146:sc= -0.677 (180deg=-1.78!) USER MOD Single : A 41 THR OG1 : rot 28:sc= 0.726 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.374 X(o=-0.37,f=0.073) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.25) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0.852 (180deg=-0.249) USER MOD Single : A 50 SER OG : rot 85:sc= 0.0159 USER MOD Single : A 51 TYR OH : rot 152:sc= 0.012 USER MOD Single : A 52 CYS SG : rot 60:sc= 0.981 USER MOD Single : A 53 GLN : amide:sc= -0.0346 K(o=-0.035,f=-1.3!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.112 F(o=-1.6,f=-0.11) USER MOD Single : A 59 MET CE :methyl -151:sc= -5.76! (180deg=-10.6!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.138 F(o=-2.8!,f=-0.14) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0861 F(o=-1.5!,f=-0.086) USER MOD Single : A 74 ASN : amide:sc= 1.04 K(o=1,f=-0.28) USER MOD Single : A 75 HIS : no HE2:sc= 0.673 K(o=0.67,f=-2.7!) USER MOD Single : A 76 THR OG1 : rot -99:sc= -3.09! USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 1.3 (180deg=1.02) USER MOD Single : A 82 MET CE :methyl 154:sc= -1.37 (180deg=-2.65) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -7.572 6.975 9.438 1.00 0.00 N ATOM 312 CA ILE A 22 -8.552 6.576 8.469 1.00 0.00 C ATOM 313 C ILE A 22 -8.317 5.145 8.029 1.00 0.00 C ATOM 314 O ILE A 22 -7.183 4.675 7.963 1.00 0.00 O ATOM 315 CB ILE A 22 -8.567 7.494 7.235 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.193 7.558 6.583 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.055 8.888 7.602 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.264 7.561 5.078 1.00 0.00 C ATOM 0 HA ILE A 22 -9.523 6.657 8.958 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.263 7.069 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.677 8.457 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.599 6.706 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.057 9.519 6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.066 8.825 8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.392 9.320 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.256 7.608 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.754 6.650 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.833 8.428 4.742 1.00 0.00 H new ATOM 330 N LYS A 23 -9.384 4.455 7.726 1.00 0.00 N ATOM 331 CA LYS A 23 -9.308 3.073 7.302 1.00 0.00 C ATOM 332 C LYS A 23 -9.392 2.993 5.796 1.00 0.00 C ATOM 333 O LYS A 23 -10.058 3.789 5.176 1.00 0.00 O ATOM 334 CB LYS A 23 -10.442 2.262 7.926 1.00 0.00 C ATOM 335 CG LYS A 23 -11.821 2.783 7.562 1.00 0.00 C ATOM 336 CD LYS A 23 -12.909 1.828 7.991 1.00 0.00 C ATOM 337 CE LYS A 23 -14.265 2.298 7.502 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.713 3.538 8.189 1.00 0.00 N ATOM 0 H LYS A 23 -10.332 4.830 7.764 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.356 2.658 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.357 1.224 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.332 2.271 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.980 3.752 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.878 2.940 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.701 0.833 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.918 1.746 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.220 2.476 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.000 1.510 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.732 3.672 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.526 3.457 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.194 4.354 7.806 1.00 0.00 H new ATOM 352 N LEU A 24 -8.695 2.053 5.208 1.00 0.00 N ATOM 353 CA LEU A 24 -8.710 1.870 3.768 1.00 0.00 C ATOM 354 C LEU A 24 -8.585 0.393 3.430 1.00 0.00 C ATOM 355 O LEU A 24 -8.487 -0.460 4.327 1.00 0.00 O ATOM 356 CB LEU A 24 -7.582 2.651 3.080 1.00 0.00 C ATOM 357 CG LEU A 24 -7.391 4.097 3.516 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.460 4.183 4.712 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.865 4.918 2.374 1.00 0.00 C ATOM 0 H LEU A 24 -8.101 1.392 5.708 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.660 2.256 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.646 2.118 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.766 2.640 2.006 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.360 4.497 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.339 5.226 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.883 3.619 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.488 3.766 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.733 5.950 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.907 4.515 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.573 4.886 1.546 1.00 0.00 H new ATOM 371 N LYS A 25 -8.567 0.084 2.146 1.00 0.00 N ATOM 372 CA LYS A 25 -8.479 -1.285 1.685 1.00 0.00 C ATOM 373 C LYS A 25 -7.744 -1.340 0.353 1.00 0.00 C ATOM 374 O LYS A 25 -7.879 -0.450 -0.479 1.00 0.00 O ATOM 375 CB LYS A 25 -9.891 -1.889 1.564 1.00 0.00 C ATOM 376 CG LYS A 25 -9.935 -3.323 1.031 1.00 0.00 C ATOM 377 CD LYS A 25 -10.161 -3.371 -0.469 1.00 0.00 C ATOM 378 CE LYS A 25 -11.526 -2.822 -0.845 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.639 -3.632 -0.279 1.00 0.00 N ATOM 0 H LYS A 25 -8.613 0.775 1.397 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.916 -1.875 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.365 -1.867 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.487 -1.255 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.999 -3.827 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.731 -3.872 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.385 -2.795 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.073 -4.400 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.611 -1.795 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.617 -2.794 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.536 -3.347 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.465 -4.640 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.695 -3.476 0.748 1.00 0.00 H new ATOM 393 N VAL A 26 -6.957 -2.380 0.148 1.00 0.00 N ATOM 394 CA VAL A 26 -6.203 -2.521 -1.094 1.00 0.00 C ATOM 395 C VAL A 26 -6.303 -3.943 -1.611 1.00 0.00 C ATOM 396 O VAL A 26 -6.317 -4.897 -0.833 1.00 0.00 O ATOM 397 CB VAL A 26 -4.706 -2.114 -0.939 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.575 -0.834 -0.149 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.895 -3.213 -0.294 1.00 0.00 C ATOM 0 H VAL A 26 -6.820 -3.137 0.818 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.649 -1.835 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.310 -1.948 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.521 -0.571 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.104 -0.033 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.005 -0.973 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.857 -2.893 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.297 -3.429 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.945 -4.111 -0.909 1.00 0.00 H new ATOM 409 N ILE A 27 -6.412 -4.084 -2.918 1.00 0.00 N ATOM 410 CA ILE A 27 -6.533 -5.391 -3.544 1.00 0.00 C ATOM 411 C ILE A 27 -5.446 -5.579 -4.579 1.00 0.00 C ATOM 412 O ILE A 27 -5.073 -4.644 -5.285 1.00 0.00 O ATOM 413 CB ILE A 27 -7.910 -5.545 -4.224 1.00 0.00 C ATOM 414 CG1 ILE A 27 -9.015 -5.265 -3.217 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.067 -6.947 -4.814 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.359 -4.989 -3.845 1.00 0.00 C ATOM 0 H ILE A 27 -6.419 -3.303 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.432 -6.147 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.982 -4.825 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.107 -6.119 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.728 -4.409 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.044 -7.035 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.287 -7.119 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.982 -7.688 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.094 -4.799 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.285 -4.116 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.670 -5.852 -4.433 1.00 0.00 H new ATOM 428 N GLY A 28 -4.922 -6.780 -4.669 1.00 0.00 N ATOM 429 CA GLY A 28 -3.895 -7.050 -5.631 1.00 0.00 C ATOM 430 C GLY A 28 -4.282 -8.140 -6.587 1.00 0.00 C ATOM 431 O GLY A 28 -5.293 -8.818 -6.399 1.00 0.00 O ATOM 0 H GLY A 28 -5.192 -7.575 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.676 -6.140 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.979 -7.333 -5.112 1.00 0.00 H new ATOM 435 N GLN A 29 -3.466 -8.336 -7.610 1.00 0.00 N ATOM 436 CA GLN A 29 -3.717 -9.352 -8.636 1.00 0.00 C ATOM 437 C GLN A 29 -3.618 -10.764 -8.065 1.00 0.00 C ATOM 438 O GLN A 29 -3.925 -11.748 -8.732 1.00 0.00 O ATOM 439 CB GLN A 29 -2.747 -9.177 -9.810 1.00 0.00 C ATOM 440 CG GLN A 29 -1.292 -9.586 -9.547 1.00 0.00 C ATOM 441 CD GLN A 29 -0.646 -8.848 -8.386 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.182 -7.731 -8.533 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.573 -9.494 -7.247 1.00 0.00 N ATOM 0 H GLN A 29 -2.611 -7.800 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.736 -9.214 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.120 -9.758 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.760 -8.130 -10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.256 -10.657 -9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.706 -9.409 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.974 -10.428 -7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.115 -9.062 -6.444 1.00 0.00 H new ATOM 452 N ASP A 30 -3.199 -10.848 -6.819 1.00 0.00 N ATOM 453 CA ASP A 30 -3.075 -12.112 -6.118 1.00 0.00 C ATOM 454 C ASP A 30 -4.429 -12.512 -5.537 1.00 0.00 C ATOM 455 O ASP A 30 -4.568 -13.550 -4.890 1.00 0.00 O ATOM 456 CB ASP A 30 -2.041 -11.967 -4.993 1.00 0.00 C ATOM 457 CG ASP A 30 -1.800 -13.256 -4.241 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.246 -14.203 -4.837 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.156 -13.325 -3.051 1.00 0.00 O ATOM 0 H ASP A 30 -2.933 -10.037 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.746 -12.886 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.099 -11.618 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.379 -11.203 -4.293 1.00 0.00 H new ATOM 464 N SER A 31 -5.440 -11.664 -5.779 1.00 0.00 N ATOM 465 CA SER A 31 -6.794 -11.867 -5.262 1.00 0.00 C ATOM 466 C SER A 31 -6.818 -11.692 -3.749 1.00 0.00 C ATOM 467 O SER A 31 -7.763 -12.084 -3.066 1.00 0.00 O ATOM 468 CB SER A 31 -7.344 -13.234 -5.675 1.00 0.00 C ATOM 469 OG SER A 31 -7.298 -13.389 -7.090 1.00 0.00 O ATOM 0 H SER A 31 -5.337 -10.818 -6.340 1.00 0.00 H new ATOM 0 HA SER A 31 -7.445 -11.110 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.763 -14.024 -5.199 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.371 -13.339 -5.326 1.00 0.00 H new ATOM 0 HG SER A 31 -7.652 -14.270 -7.334 1.00 0.00 H new ATOM 475 N SER A 32 -5.771 -11.088 -3.229 1.00 0.00 N ATOM 476 CA SER A 32 -5.667 -10.815 -1.828 1.00 0.00 C ATOM 477 C SER A 32 -5.960 -9.350 -1.567 1.00 0.00 C ATOM 478 O SER A 32 -5.824 -8.504 -2.465 1.00 0.00 O ATOM 479 CB SER A 32 -4.275 -11.190 -1.316 1.00 0.00 C ATOM 480 OG SER A 32 -4.066 -12.596 -1.394 1.00 0.00 O ATOM 0 H SER A 32 -4.969 -10.775 -3.776 1.00 0.00 H new ATOM 0 HA SER A 32 -6.399 -11.418 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.516 -10.673 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.161 -10.858 -0.284 1.00 0.00 H new ATOM 0 HG SER A 32 -3.366 -12.787 -2.053 1.00 0.00 H new ATOM 486 N GLU A 33 -6.362 -9.045 -0.357 1.00 0.00 N ATOM 487 CA GLU A 33 -6.676 -7.694 0.019 1.00 0.00 C ATOM 488 C GLU A 33 -6.386 -7.500 1.485 1.00 0.00 C ATOM 489 O GLU A 33 -6.316 -8.467 2.245 1.00 0.00 O ATOM 490 CB GLU A 33 -8.148 -7.366 -0.276 1.00 0.00 C ATOM 491 CG GLU A 33 -9.145 -8.125 0.578 1.00 0.00 C ATOM 492 CD GLU A 33 -10.568 -7.672 0.344 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.236 -8.238 -0.549 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.025 -6.744 1.054 1.00 0.00 O ATOM 0 H GLU A 33 -6.480 -9.728 0.392 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.057 -7.017 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.305 -6.297 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.351 -7.579 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.066 -9.191 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.893 -7.992 1.630 1.00 0.00 H new ATOM 501 N ILE A 34 -6.195 -6.272 1.892 1.00 0.00 N ATOM 502 CA ILE A 34 -5.949 -5.984 3.281 1.00 0.00 C ATOM 503 C ILE A 34 -6.650 -4.701 3.699 1.00 0.00 C ATOM 504 O ILE A 34 -6.789 -3.756 2.905 1.00 0.00 O ATOM 505 CB ILE A 34 -4.435 -5.900 3.598 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.215 -5.795 5.101 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.794 -4.728 2.884 1.00 0.00 C ATOM 508 CD1 ILE A 34 -2.815 -6.111 5.526 1.00 0.00 C ATOM 0 H ILE A 34 -6.205 -5.455 1.281 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.359 -6.813 3.857 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.961 -6.813 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.465 -4.785 5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.901 -6.473 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.731 -4.693 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.919 -4.845 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.270 -3.802 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.733 -6.016 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.567 -7.131 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.124 -5.417 5.047 1.00 0.00 H new ATOM 520 N HIS A 35 -7.145 -4.684 4.925 1.00 0.00 N ATOM 521 CA HIS A 35 -7.809 -3.517 5.481 1.00 0.00 C ATOM 522 C HIS A 35 -6.907 -2.933 6.558 1.00 0.00 C ATOM 523 O HIS A 35 -6.375 -3.666 7.386 1.00 0.00 O ATOM 524 CB HIS A 35 -9.172 -3.899 6.104 1.00 0.00 C ATOM 525 CG HIS A 35 -10.085 -4.690 5.196 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.188 -5.381 5.648 1.00 0.00 N ATOM 527 CD2 HIS A 35 -10.043 -4.898 3.861 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.779 -5.979 4.629 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.102 -5.700 3.534 1.00 0.00 N ATOM 0 H HIS A 35 -7.098 -5.479 5.563 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.992 -2.792 4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.992 -4.479 7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.686 -2.987 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.307 -4.503 3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.666 -6.592 4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.330 -6.028 2.596 1.00 0.00 H new ATOM 538 N PHE A 36 -6.716 -1.637 6.554 1.00 0.00 N ATOM 539 CA PHE A 36 -5.818 -1.014 7.525 1.00 0.00 C ATOM 540 C PHE A 36 -6.284 0.364 7.918 1.00 0.00 C ATOM 541 O PHE A 36 -7.132 0.961 7.258 1.00 0.00 O ATOM 542 CB PHE A 36 -4.389 -0.922 6.964 1.00 0.00 C ATOM 543 CG PHE A 36 -4.330 -0.482 5.537 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.473 0.849 5.202 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.137 -1.404 4.529 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.424 1.253 3.891 1.00 0.00 C ATOM 547 CE2 PHE A 36 -4.087 -1.008 3.219 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.230 0.327 2.897 1.00 0.00 C ATOM 0 H PHE A 36 -7.159 -0.990 5.902 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.825 -1.647 8.412 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.813 -0.226 7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.909 -1.897 7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.625 1.582 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.024 -2.449 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.538 2.298 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.936 -1.739 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.189 0.642 1.865 1.00 0.00 H new ATOM 584 N VAL A 38 -4.605 3.974 8.599 1.00 0.00 N ATOM 585 CA VAL A 38 -3.441 4.822 8.538 1.00 0.00 C ATOM 586 C VAL A 38 -3.769 6.191 9.119 1.00 0.00 C ATOM 587 O VAL A 38 -4.907 6.463 9.467 1.00 0.00 O ATOM 588 CB VAL A 38 -2.910 4.969 7.086 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.790 3.602 6.425 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.802 5.887 6.261 1.00 0.00 C ATOM 0 HA VAL A 38 -2.654 4.354 9.129 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.920 5.423 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.417 3.721 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.098 2.982 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.769 3.124 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.403 5.969 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.810 5.475 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.832 6.875 6.721 1.00 0.00 H new ATOM 600 N LYS A 39 -2.789 7.053 9.210 1.00 0.00 N ATOM 601 CA LYS A 39 -2.997 8.378 9.771 1.00 0.00 C ATOM 602 C LYS A 39 -3.364 9.335 8.649 1.00 0.00 C ATOM 603 O LYS A 39 -3.278 8.975 7.473 1.00 0.00 O ATOM 604 CB LYS A 39 -1.717 8.855 10.470 1.00 0.00 C ATOM 605 CG LYS A 39 -1.101 7.807 11.385 1.00 0.00 C ATOM 606 CD LYS A 39 0.224 8.266 11.980 1.00 0.00 C ATOM 607 CE LYS A 39 0.035 9.367 13.011 1.00 0.00 C ATOM 608 NZ LYS A 39 1.324 9.750 13.641 1.00 0.00 N ATOM 0 H LYS A 39 -1.834 6.867 8.904 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.803 8.346 10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.985 9.142 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.942 9.748 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.798 7.576 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.945 6.885 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.726 7.417 12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.875 8.624 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.412 10.240 12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.661 9.032 13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.159 10.503 14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.738 8.922 14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.979 10.093 12.910 1.00 0.00 H new ATOM 622 N MET A 40 -3.771 10.552 8.996 1.00 0.00 N ATOM 623 CA MET A 40 -4.117 11.556 7.990 1.00 0.00 C ATOM 624 C MET A 40 -2.924 11.794 7.077 1.00 0.00 C ATOM 625 O MET A 40 -3.051 11.897 5.857 1.00 0.00 O ATOM 626 CB MET A 40 -4.542 12.867 8.661 1.00 0.00 C ATOM 627 CG MET A 40 -5.016 13.961 7.699 1.00 0.00 C ATOM 628 SD MET A 40 -6.612 13.597 6.913 1.00 0.00 S ATOM 629 CE MET A 40 -6.110 12.692 5.444 1.00 0.00 C ATOM 0 H MET A 40 -3.870 10.868 9.961 1.00 0.00 H new ATOM 0 HA MET A 40 -4.955 11.189 7.398 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.344 12.653 9.368 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.702 13.251 9.239 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.095 14.902 8.243 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.263 14.103 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.793 12.919 4.626 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.098 12.985 5.164 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.134 11.622 5.650 1.00 0.00 H new ATOM 639 N THR A 41 -1.753 11.873 7.672 1.00 0.00 N ATOM 640 CA THR A 41 -0.536 12.029 6.926 1.00 0.00 C ATOM 641 C THR A 41 0.458 10.958 7.394 1.00 0.00 C ATOM 642 O THR A 41 0.823 10.915 8.575 1.00 0.00 O ATOM 643 CB THR A 41 0.063 13.444 7.158 1.00 0.00 C ATOM 644 OG1 THR A 41 0.503 13.576 8.519 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.990 14.514 6.881 1.00 0.00 C ATOM 0 H THR A 41 -1.624 11.830 8.683 1.00 0.00 H new ATOM 0 HA THR A 41 -0.739 11.915 5.861 1.00 0.00 H new ATOM 0 HB THR A 41 0.907 13.573 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.752 12.695 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.558 15.501 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.327 14.434 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.838 14.372 7.551 1.00 0.00 H new ATOM 653 N THR A 42 0.875 10.081 6.493 1.00 0.00 N ATOM 654 CA THR A 42 1.806 9.020 6.845 1.00 0.00 C ATOM 655 C THR A 42 2.277 8.281 5.599 1.00 0.00 C ATOM 656 O THR A 42 1.631 8.337 4.544 1.00 0.00 O ATOM 657 CB THR A 42 1.171 8.000 7.836 1.00 0.00 C ATOM 658 OG1 THR A 42 2.184 7.152 8.396 1.00 0.00 O ATOM 659 CG2 THR A 42 0.139 7.131 7.134 1.00 0.00 C ATOM 0 H THR A 42 0.584 10.083 5.515 1.00 0.00 H new ATOM 0 HA THR A 42 2.658 9.494 7.333 1.00 0.00 H new ATOM 0 HB THR A 42 0.684 8.568 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.772 6.517 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.290 6.427 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.651 7.762 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.617 6.580 6.324 1.00 0.00 H new ATOM 667 N HIS A 43 3.390 7.588 5.716 1.00 0.00 N ATOM 668 CA HIS A 43 3.925 6.810 4.623 1.00 0.00 C ATOM 669 C HIS A 43 3.158 5.505 4.479 1.00 0.00 C ATOM 670 O HIS A 43 3.077 4.708 5.416 1.00 0.00 O ATOM 671 CB HIS A 43 5.406 6.510 4.846 1.00 0.00 C ATOM 672 CG HIS A 43 6.290 7.719 4.822 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.332 7.907 5.701 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.293 8.798 4.008 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.934 9.046 5.428 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.325 9.607 4.404 1.00 0.00 N ATOM 0 H HIS A 43 3.947 7.549 6.570 1.00 0.00 H new ATOM 0 HA HIS A 43 3.818 7.394 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.522 6.008 5.807 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.743 5.813 4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.608 8.987 3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.785 9.452 5.955 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.580 10.497 3.976 1.00 0.00 H new ATOM 685 N LEU A 44 2.596 5.282 3.301 1.00 0.00 N ATOM 686 CA LEU A 44 1.834 4.063 3.006 1.00 0.00 C ATOM 687 C LEU A 44 2.692 2.790 3.110 1.00 0.00 C ATOM 688 O LEU A 44 2.183 1.665 3.036 1.00 0.00 O ATOM 689 CB LEU A 44 1.171 4.165 1.631 1.00 0.00 C ATOM 690 CG LEU A 44 0.175 5.321 1.473 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.544 5.242 0.139 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.827 5.340 2.619 1.00 0.00 C ATOM 0 H LEU A 44 2.651 5.935 2.519 1.00 0.00 H new ATOM 0 HA LEU A 44 1.058 3.979 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.950 4.271 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.653 3.229 1.424 1.00 0.00 H new ATOM 0 HG LEU A 44 0.742 6.252 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.244 6.073 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.184 5.296 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.089 4.300 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.521 6.169 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.381 4.402 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.297 5.463 3.564 1.00 0.00 H new ATOM 704 N LYS A 45 3.995 2.962 3.268 1.00 0.00 N ATOM 705 CA LYS A 45 4.909 1.843 3.416 1.00 0.00 C ATOM 706 C LYS A 45 4.465 0.938 4.584 1.00 0.00 C ATOM 707 O LYS A 45 4.680 -0.271 4.563 1.00 0.00 O ATOM 708 CB LYS A 45 6.337 2.372 3.635 1.00 0.00 C ATOM 709 CG LYS A 45 7.438 1.319 3.522 1.00 0.00 C ATOM 710 CD LYS A 45 7.742 0.643 4.854 1.00 0.00 C ATOM 711 CE LYS A 45 8.263 1.632 5.893 1.00 0.00 C ATOM 712 NZ LYS A 45 8.617 0.960 7.172 1.00 0.00 N ATOM 0 H LYS A 45 4.446 3.877 3.297 1.00 0.00 H new ATOM 0 HA LYS A 45 4.896 1.242 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.532 3.160 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.392 2.829 4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.140 0.563 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.346 1.787 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.839 0.163 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.480 -0.144 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.140 2.145 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.506 2.393 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.934 1.671 7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.783 0.463 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.382 0.275 7.004 1.00 0.00 H new ATOM 726 N LYS A 46 3.806 1.533 5.584 1.00 0.00 N ATOM 727 CA LYS A 46 3.308 0.785 6.739 1.00 0.00 C ATOM 728 C LYS A 46 2.277 -0.263 6.319 1.00 0.00 C ATOM 729 O LYS A 46 2.169 -1.330 6.929 1.00 0.00 O ATOM 730 CB LYS A 46 2.712 1.742 7.793 1.00 0.00 C ATOM 731 CG LYS A 46 1.464 2.506 7.337 1.00 0.00 C ATOM 732 CD LYS A 46 0.167 1.806 7.753 1.00 0.00 C ATOM 733 CE LYS A 46 -0.048 1.875 9.261 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.347 1.291 9.682 1.00 0.00 N ATOM 0 H LYS A 46 3.606 2.533 5.615 1.00 0.00 H new ATOM 0 HA LYS A 46 4.153 0.262 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.463 1.167 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.477 2.463 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.482 3.511 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.484 2.614 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.677 2.269 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.198 0.763 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.763 1.348 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.000 2.915 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.442 1.364 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.125 1.809 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.385 0.291 9.401 1.00 0.00 H new ATOM 748 N LEU A 47 1.531 0.019 5.253 1.00 0.00 N ATOM 749 CA LEU A 47 0.520 -0.908 4.801 1.00 0.00 C ATOM 750 C LEU A 47 1.172 -1.982 3.966 1.00 0.00 C ATOM 751 O LEU A 47 0.744 -3.130 3.971 1.00 0.00 O ATOM 752 CB LEU A 47 -0.617 -0.195 4.037 1.00 0.00 C ATOM 753 CG LEU A 47 -0.323 0.253 2.604 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.673 -0.839 1.601 1.00 0.00 C ATOM 755 CD2 LEU A 47 -1.071 1.528 2.288 1.00 0.00 C ATOM 0 H LEU A 47 1.612 0.872 4.699 1.00 0.00 H new ATOM 0 HA LEU A 47 0.052 -1.371 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.478 -0.863 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.911 0.683 4.612 1.00 0.00 H new ATOM 0 HG LEU A 47 0.747 0.447 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.453 -0.490 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.083 -1.731 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.734 -1.078 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.852 1.834 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.142 1.357 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.759 2.313 2.977 1.00 0.00 H new ATOM 767 N LYS A 48 2.230 -1.604 3.235 1.00 0.00 N ATOM 768 CA LYS A 48 3.004 -2.579 2.464 1.00 0.00 C ATOM 769 C LYS A 48 3.538 -3.662 3.376 1.00 0.00 C ATOM 770 O LYS A 48 3.487 -4.849 3.055 1.00 0.00 O ATOM 771 CB LYS A 48 4.180 -1.923 1.741 1.00 0.00 C ATOM 772 CG LYS A 48 3.862 -1.365 0.369 1.00 0.00 C ATOM 773 CD LYS A 48 3.026 -0.106 0.440 1.00 0.00 C ATOM 774 CE LYS A 48 2.891 0.530 -0.933 1.00 0.00 C ATOM 775 NZ LYS A 48 4.157 0.432 -1.712 1.00 0.00 N ATOM 0 H LYS A 48 2.564 -0.643 3.163 1.00 0.00 H new ATOM 0 HA LYS A 48 2.332 -3.008 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.564 -1.116 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.980 -2.657 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.792 -1.152 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.331 -2.118 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.038 -0.342 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.485 0.602 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.087 0.042 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.612 1.578 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.131 1.107 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.963 0.653 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.261 -0.533 -2.085 1.00 0.00 H new ATOM 789 N GLU A 49 4.043 -3.249 4.527 1.00 0.00 N ATOM 790 CA GLU A 49 4.599 -4.175 5.488 1.00 0.00 C ATOM 791 C GLU A 49 3.527 -5.073 6.032 1.00 0.00 C ATOM 792 O GLU A 49 3.639 -6.284 5.974 1.00 0.00 O ATOM 793 CB GLU A 49 5.267 -3.431 6.620 1.00 0.00 C ATOM 794 CG GLU A 49 6.358 -2.506 6.158 1.00 0.00 C ATOM 795 CD GLU A 49 7.132 -1.911 7.299 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.732 -0.837 7.804 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.147 -2.505 7.700 1.00 0.00 O ATOM 0 H GLU A 49 4.077 -2.271 4.816 1.00 0.00 H new ATOM 0 HA GLU A 49 5.346 -4.783 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.516 -2.855 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.684 -4.151 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.040 -3.052 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.922 -1.704 5.563 1.00 0.00 H new ATOM 804 N SER A 50 2.459 -4.479 6.533 1.00 0.00 N ATOM 805 CA SER A 50 1.345 -5.246 7.074 1.00 0.00 C ATOM 806 C SER A 50 0.755 -6.192 6.012 1.00 0.00 C ATOM 807 O SER A 50 0.218 -7.254 6.327 1.00 0.00 O ATOM 808 CB SER A 50 0.277 -4.304 7.644 1.00 0.00 C ATOM 809 OG SER A 50 0.776 -3.609 8.775 1.00 0.00 O ATOM 0 H SER A 50 2.337 -3.467 6.578 1.00 0.00 H new ATOM 0 HA SER A 50 1.717 -5.868 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.032 -3.591 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.608 -4.876 7.923 1.00 0.00 H new ATOM 0 HG SER A 50 1.262 -2.811 8.480 1.00 0.00 H new ATOM 815 N TYR A 51 0.891 -5.815 4.749 1.00 0.00 N ATOM 816 CA TYR A 51 0.413 -6.647 3.656 1.00 0.00 C ATOM 817 C TYR A 51 1.364 -7.834 3.477 1.00 0.00 C ATOM 818 O TYR A 51 0.950 -8.993 3.500 1.00 0.00 O ATOM 819 CB TYR A 51 0.327 -5.838 2.347 1.00 0.00 C ATOM 820 CG TYR A 51 -0.516 -6.487 1.253 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.245 -7.768 0.796 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.582 -5.807 0.682 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.007 -8.353 -0.196 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.353 -6.387 -0.315 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.058 -7.658 -0.747 1.00 0.00 C ATOM 826 OH TYR A 51 -2.817 -8.234 -1.741 1.00 0.00 O ATOM 0 H TYR A 51 1.327 -4.941 4.457 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.587 -7.007 3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.086 -4.854 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.336 -5.681 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.579 -8.319 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.816 -4.808 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.779 -9.352 -0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.179 -5.843 -0.749 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.723 -7.862 -1.718 1.00 0.00 H new ATOM 836 N CYS A 52 2.640 -7.531 3.318 1.00 0.00 N ATOM 837 CA CYS A 52 3.673 -8.544 3.129 1.00 0.00 C ATOM 838 C CYS A 52 3.776 -9.477 4.340 1.00 0.00 C ATOM 839 O CYS A 52 4.039 -10.665 4.200 1.00 0.00 O ATOM 840 CB CYS A 52 5.024 -7.869 2.842 1.00 0.00 C ATOM 841 SG CYS A 52 6.376 -9.008 2.469 1.00 0.00 S ATOM 0 H CYS A 52 2.994 -6.574 3.316 1.00 0.00 H new ATOM 0 HA CYS A 52 3.395 -9.157 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.901 -7.185 2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.304 -7.266 3.706 1.00 0.00 H new ATOM 0 HG CYS A 52 6.073 -9.712 1.419 1.00 0.00 H new ATOM 847 N GLN A 53 3.559 -8.939 5.521 1.00 0.00 N ATOM 848 CA GLN A 53 3.627 -9.720 6.747 1.00 0.00 C ATOM 849 C GLN A 53 2.433 -10.656 6.890 1.00 0.00 C ATOM 850 O GLN A 53 2.576 -11.802 7.307 1.00 0.00 O ATOM 851 CB GLN A 53 3.708 -8.790 7.952 1.00 0.00 C ATOM 852 CG GLN A 53 4.979 -7.972 7.998 1.00 0.00 C ATOM 853 CD GLN A 53 6.176 -8.781 8.432 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.046 -9.753 9.176 1.00 0.00 O ATOM 855 NE2 GLN A 53 7.341 -8.382 7.989 1.00 0.00 N ATOM 0 H GLN A 53 3.332 -7.955 5.663 1.00 0.00 H new ATOM 0 HA GLN A 53 4.525 -10.336 6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.852 -8.116 7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.633 -9.382 8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.170 -7.549 7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.843 -7.135 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.402 -7.571 7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.188 -8.882 8.259 1.00 0.00 H new ATOM 864 N ARG A 54 1.253 -10.177 6.523 1.00 0.00 N ATOM 865 CA ARG A 54 0.040 -10.964 6.682 1.00 0.00 C ATOM 866 C ARG A 54 -0.153 -11.943 5.534 1.00 0.00 C ATOM 867 O ARG A 54 -0.351 -13.134 5.748 1.00 0.00 O ATOM 868 CB ARG A 54 -1.172 -10.053 6.803 1.00 0.00 C ATOM 869 CG ARG A 54 -2.462 -10.790 7.110 1.00 0.00 C ATOM 870 CD ARG A 54 -3.526 -9.844 7.621 1.00 0.00 C ATOM 871 NE ARG A 54 -4.790 -10.532 7.897 1.00 0.00 N ATOM 872 CZ ARG A 54 -5.778 -10.032 8.648 1.00 0.00 C ATOM 873 NH1 ARG A 54 -5.637 -8.853 9.241 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.900 -10.718 8.816 1.00 0.00 N ATOM 0 H ARG A 54 1.110 -9.253 6.116 1.00 0.00 H new ATOM 0 HA ARG A 54 0.145 -11.544 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.987 -9.320 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.293 -9.499 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.820 -11.292 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.273 -11.564 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.172 -9.359 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.695 -9.058 6.885 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.926 -11.456 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.773 -8.324 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.393 -8.476 9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.012 -11.630 8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.651 -10.334 9.389 1.00 0.00 H new ATOM 888 N GLN A 55 -0.071 -11.449 4.313 1.00 0.00 N ATOM 889 CA GLN A 55 -0.291 -12.286 3.141 1.00 0.00 C ATOM 890 C GLN A 55 0.949 -13.092 2.785 1.00 0.00 C ATOM 891 O GLN A 55 0.885 -14.031 1.999 1.00 0.00 O ATOM 892 CB GLN A 55 -0.752 -11.442 1.945 1.00 0.00 C ATOM 893 CG GLN A 55 -2.245 -11.107 1.957 1.00 0.00 C ATOM 894 CD GLN A 55 -2.654 -10.139 3.060 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.801 -9.172 3.363 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.750 -10.242 3.614 1.00 0.00 N flip ATOM 0 H GLN A 55 0.146 -10.475 4.103 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.083 -12.993 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.182 -10.513 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.518 -11.977 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.519 -10.679 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.813 -12.030 2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.383 -10.999 3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.024 -9.570 4.330 1.00 0.00 H new ATOM 905 N GLY A 56 2.080 -12.718 3.368 1.00 0.00 N ATOM 906 CA GLY A 56 3.326 -13.435 3.133 1.00 0.00 C ATOM 907 C GLY A 56 3.728 -13.467 1.669 1.00 0.00 C ATOM 908 O GLY A 56 4.220 -14.477 1.166 1.00 0.00 O ATOM 0 H GLY A 56 2.161 -11.925 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.122 -12.967 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.225 -14.457 3.498 1.00 0.00 H new ATOM 912 N VAL A 57 3.515 -12.366 0.975 1.00 0.00 N ATOM 913 CA VAL A 57 3.850 -12.270 -0.434 1.00 0.00 C ATOM 914 C VAL A 57 4.824 -11.123 -0.677 1.00 0.00 C ATOM 915 O VAL A 57 4.862 -10.162 0.098 1.00 0.00 O ATOM 916 CB VAL A 57 2.585 -12.089 -1.318 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.776 -13.373 -1.367 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.725 -10.945 -0.803 1.00 0.00 C ATOM 0 H VAL A 57 3.108 -11.517 1.368 1.00 0.00 H new ATOM 0 HA VAL A 57 4.325 -13.209 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 57 2.913 -11.846 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.895 -13.224 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.387 -14.172 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.465 -13.646 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.845 -10.837 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.411 -11.157 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.301 -10.020 -0.821 1.00 0.00 H new ATOM 928 N PRO A 58 5.642 -11.221 -1.735 1.00 0.00 N ATOM 929 CA PRO A 58 6.615 -10.183 -2.082 1.00 0.00 C ATOM 930 C PRO A 58 5.945 -8.881 -2.527 1.00 0.00 C ATOM 931 O PRO A 58 5.376 -8.794 -3.614 1.00 0.00 O ATOM 932 CB PRO A 58 7.408 -10.800 -3.241 1.00 0.00 C ATOM 933 CG PRO A 58 6.503 -11.832 -3.816 1.00 0.00 C ATOM 934 CD PRO A 58 5.702 -12.365 -2.666 1.00 0.00 C ATOM 0 HA PRO A 58 7.233 -9.908 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.672 -10.048 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.340 -11.243 -2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.853 -11.401 -4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.073 -12.627 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.707 -12.680 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.181 -13.231 -2.209 1.00 0.00 H new ATOM 942 N MET A 59 6.014 -7.867 -1.681 1.00 0.00 N ATOM 943 CA MET A 59 5.420 -6.566 -1.962 1.00 0.00 C ATOM 944 C MET A 59 6.221 -5.786 -3.000 1.00 0.00 C ATOM 945 O MET A 59 5.809 -4.723 -3.441 1.00 0.00 O ATOM 946 CB MET A 59 5.255 -5.758 -0.669 1.00 0.00 C ATOM 947 CG MET A 59 3.816 -5.690 -0.129 1.00 0.00 C ATOM 948 SD MET A 59 3.021 -7.302 0.076 1.00 0.00 S ATOM 949 CE MET A 59 2.313 -7.571 -1.549 1.00 0.00 C ATOM 0 H MET A 59 6.484 -7.920 -0.777 1.00 0.00 H new ATOM 0 HA MET A 59 4.432 -6.740 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.896 -6.192 0.098 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.611 -4.743 -0.844 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.825 -5.178 0.833 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.214 -5.085 -0.807 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.420 -8.190 -1.459 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.046 -6.612 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.041 -8.075 -2.184 1.00 0.00 H new ATOM 959 N ASN A 60 7.388 -6.301 -3.361 1.00 0.00 N ATOM 960 CA ASN A 60 8.259 -5.638 -4.342 1.00 0.00 C ATOM 961 C ASN A 60 7.910 -6.049 -5.774 1.00 0.00 C ATOM 962 O ASN A 60 7.941 -5.233 -6.687 1.00 0.00 O ATOM 963 CB ASN A 60 9.736 -5.955 -4.065 1.00 0.00 C ATOM 964 CG ASN A 60 10.269 -5.316 -2.785 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.397 -5.094 -1.819 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.457 -5.027 -2.676 1.00 0.00 N flip ATOM 0 H ASN A 60 7.760 -7.176 -2.993 1.00 0.00 H new ATOM 0 HA ASN A 60 8.096 -4.565 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.861 -7.036 -4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.336 -5.614 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.100 -5.214 -3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.801 -4.600 -1.816 1.00 0.00 H new ATOM 973 N SER A 61 7.617 -7.335 -5.972 1.00 0.00 N ATOM 974 CA SER A 61 7.251 -7.864 -7.295 1.00 0.00 C ATOM 975 C SER A 61 6.081 -7.098 -7.930 1.00 0.00 C ATOM 976 O SER A 61 5.967 -7.003 -9.156 1.00 0.00 O ATOM 977 CB SER A 61 6.927 -9.350 -7.188 1.00 0.00 C ATOM 978 OG SER A 61 8.048 -10.068 -6.690 1.00 0.00 O ATOM 0 H SER A 61 7.625 -8.036 -5.231 1.00 0.00 H new ATOM 0 HA SER A 61 8.109 -7.726 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.072 -9.495 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.644 -9.738 -8.166 1.00 0.00 H new ATOM 0 HG SER A 61 7.824 -11.020 -6.625 1.00 0.00 H new ATOM 984 N LEU A 62 5.215 -6.563 -7.108 1.00 0.00 N ATOM 985 CA LEU A 62 4.105 -5.776 -7.577 1.00 0.00 C ATOM 986 C LEU A 62 4.181 -4.370 -6.999 1.00 0.00 C ATOM 987 O LEU A 62 4.960 -4.111 -6.089 1.00 0.00 O ATOM 988 CB LEU A 62 2.739 -6.449 -7.253 1.00 0.00 C ATOM 989 CG LEU A 62 2.564 -7.170 -5.892 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.238 -8.531 -5.894 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.059 -6.318 -4.734 1.00 0.00 C ATOM 0 H LEU A 62 5.260 -6.661 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 62 4.172 -5.710 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.969 -5.681 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.535 -7.175 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 62 1.495 -7.327 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.096 -9.009 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.799 -9.153 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.304 -8.409 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.919 -6.859 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.118 -6.098 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.496 -5.385 -4.702 1.00 0.00 H new ATOM 1003 N ARG A 63 3.393 -3.457 -7.518 1.00 0.00 N ATOM 1004 CA ARG A 63 3.397 -2.105 -6.995 1.00 0.00 C ATOM 1005 C ARG A 63 2.007 -1.675 -6.597 1.00 0.00 C ATOM 1006 O ARG A 63 1.015 -2.292 -6.983 1.00 0.00 O ATOM 1007 CB ARG A 63 4.012 -1.093 -7.974 1.00 0.00 C ATOM 1008 CG ARG A 63 3.276 -0.938 -9.295 1.00 0.00 C ATOM 1009 CD ARG A 63 3.735 -1.955 -10.313 1.00 0.00 C ATOM 1010 NE ARG A 63 3.299 -1.596 -11.666 1.00 0.00 N ATOM 1011 CZ ARG A 63 4.030 -0.878 -12.536 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.238 -0.423 -12.195 1.00 0.00 N ATOM 1013 NH2 ARG A 63 3.550 -0.621 -13.742 1.00 0.00 N ATOM 0 H ARG A 63 2.748 -3.619 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 63 4.030 -2.118 -6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.056 -0.120 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.039 -1.392 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.204 -1.047 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.438 0.067 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.822 -2.031 -10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.341 -2.937 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 63 2.378 -1.913 -11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.614 -0.619 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.785 0.121 -12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.628 -0.967 -14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.102 -0.076 -14.405 1.00 0.00 H new ATOM 1027 N PHE A 64 1.928 -0.595 -5.851 1.00 0.00 N ATOM 1028 CA PHE A 64 0.666 -0.101 -5.352 1.00 0.00 C ATOM 1029 C PHE A 64 0.293 1.175 -6.074 1.00 0.00 C ATOM 1030 O PHE A 64 0.991 2.193 -5.976 1.00 0.00 O ATOM 1031 CB PHE A 64 0.737 0.130 -3.838 1.00 0.00 C ATOM 1032 CG PHE A 64 0.838 -1.142 -3.023 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.928 -1.993 -3.160 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.150 -1.476 -2.112 1.00 0.00 C ATOM 1035 CE1 PHE A 64 2.025 -3.148 -2.410 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.058 -2.633 -1.360 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.029 -3.468 -1.510 1.00 0.00 C ATOM 0 H PHE A 64 2.735 -0.037 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.105 -0.848 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.599 0.760 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.149 0.681 -3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.710 -1.747 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.003 -0.825 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.878 -3.800 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.837 -2.882 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.101 -4.372 -0.923 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.790 1.121 -6.808 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.242 2.248 -7.585 1.00 0.00 C ATOM 1049 C LEU A 65 -2.631 2.657 -7.164 1.00 0.00 C ATOM 1050 O LEU A 65 -3.494 1.822 -6.904 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.232 1.926 -9.082 1.00 0.00 C ATOM 1052 CG LEU A 65 0.092 1.397 -9.652 1.00 0.00 C ATOM 1053 CD1 LEU A 65 -0.021 1.180 -11.151 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.235 2.349 -9.338 1.00 0.00 C ATOM 0 H LEU A 65 -1.383 0.295 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.554 3.073 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.009 1.188 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.504 2.829 -9.629 1.00 0.00 H new ATOM 0 HG LEU A 65 0.306 0.439 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.927 0.805 -11.537 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.808 0.454 -11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.263 2.125 -11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.162 1.953 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.028 3.324 -9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.335 2.453 -8.258 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.851 3.933 -7.091 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.135 4.458 -6.724 1.00 0.00 C ATOM 1068 C PHE A 66 -4.754 5.164 -7.895 1.00 0.00 C ATOM 1069 O PHE A 66 -4.371 6.275 -8.217 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.015 5.415 -5.541 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.281 6.149 -5.238 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.503 5.497 -5.269 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.252 7.493 -4.933 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.663 6.171 -5.003 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.412 8.176 -4.662 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.621 7.514 -4.698 1.00 0.00 C ATOM 0 H PHE A 66 -2.145 4.644 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.773 3.626 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.710 4.853 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.226 6.138 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.540 4.444 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.307 8.014 -4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.610 5.652 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.378 9.228 -4.421 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.535 8.048 -4.487 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.695 4.495 -8.554 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.416 5.042 -9.716 1.00 0.00 C ATOM 1088 C GLU A 67 -5.456 5.702 -10.738 1.00 0.00 C ATOM 1089 O GLU A 67 -5.819 6.640 -11.446 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.528 6.025 -9.263 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.036 7.354 -8.711 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.165 8.325 -8.436 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.948 8.613 -9.365 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.277 8.810 -7.296 1.00 0.00 O ATOM 0 H GLU A 67 -5.986 3.551 -8.301 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.893 4.206 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.183 6.223 -10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.134 5.536 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.481 7.177 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.341 7.803 -9.420 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.245 5.162 -10.839 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.248 5.705 -11.751 1.00 0.00 C ATOM 1103 C GLY A 68 -2.128 6.457 -11.034 1.00 0.00 C ATOM 1104 O GLY A 68 -1.235 7.017 -11.666 1.00 0.00 O ATOM 0 H GLY A 68 -3.933 4.353 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.816 4.892 -12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.737 6.378 -12.456 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.166 6.465 -9.714 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.145 7.119 -8.910 1.00 0.00 C ATOM 1110 C GLN A 69 -0.118 6.118 -8.450 1.00 0.00 C ATOM 1111 O GLN A 69 -0.463 5.048 -7.986 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.776 7.766 -7.684 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.460 9.085 -7.952 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.479 10.192 -8.313 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -0.259 10.100 -7.801 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -1.806 11.114 -9.056 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.904 6.020 -9.168 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.666 7.880 -9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.503 7.075 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.003 7.919 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.176 8.960 -8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.028 9.381 -7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.753 11.154 -9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.130 11.839 -9.297 1.00 0.00 H new ATOM 1125 N ARG A 70 1.141 6.453 -8.583 1.00 0.00 N ATOM 1126 CA ARG A 70 2.200 5.585 -8.121 1.00 0.00 C ATOM 1127 C ARG A 70 2.536 5.864 -6.670 1.00 0.00 C ATOM 1128 O ARG A 70 2.874 6.990 -6.291 1.00 0.00 O ATOM 1129 CB ARG A 70 3.458 5.721 -8.995 1.00 0.00 C ATOM 1130 CG ARG A 70 3.758 7.141 -9.446 1.00 0.00 C ATOM 1131 CD ARG A 70 3.050 7.454 -10.758 1.00 0.00 C ATOM 1132 NE ARG A 70 3.025 8.882 -11.047 1.00 0.00 N ATOM 1133 CZ ARG A 70 2.517 9.411 -12.161 1.00 0.00 C ATOM 1134 NH1 ARG A 70 2.043 8.625 -13.121 1.00 0.00 N ATOM 1135 NH2 ARG A 70 2.493 10.726 -12.318 1.00 0.00 N ATOM 0 H ARG A 70 1.460 7.323 -9.009 1.00 0.00 H new ATOM 0 HA ARG A 70 1.840 4.560 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.315 5.341 -8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.344 5.089 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.439 7.846 -8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.834 7.269 -9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.550 6.930 -11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.028 7.076 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 70 3.421 9.517 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.066 7.612 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.656 9.035 -13.971 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.863 11.334 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.105 11.131 -13.170 1.00 0.00 H new ATOM 1149 N ILE A 71 2.415 4.851 -5.852 1.00 0.00 N ATOM 1150 CA ILE A 71 2.733 4.963 -4.448 1.00 0.00 C ATOM 1151 C ILE A 71 3.964 4.125 -4.130 1.00 0.00 C ATOM 1152 O ILE A 71 3.868 2.912 -3.879 1.00 0.00 O ATOM 1153 CB ILE A 71 1.550 4.503 -3.535 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.353 5.464 -3.635 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.002 4.379 -2.083 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.478 5.307 -4.890 1.00 0.00 C ATOM 0 H ILE A 71 2.094 3.926 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 71 2.925 6.016 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 71 1.229 3.523 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.290 5.314 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.721 6.489 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.162 4.058 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.805 3.645 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.362 5.345 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.299 6.024 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.146 5.488 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.881 4.295 -4.935 1.00 0.00 H new ATOM 1168 N ALA A 72 5.130 4.740 -4.149 1.00 0.00 N ATOM 1169 CA ALA A 72 6.335 4.001 -3.874 1.00 0.00 C ATOM 1170 C ALA A 72 6.770 4.166 -2.428 1.00 0.00 C ATOM 1171 O ALA A 72 7.712 4.878 -2.122 1.00 0.00 O ATOM 1172 CB ALA A 72 7.445 4.414 -4.827 1.00 0.00 C ATOM 0 H ALA A 72 5.263 5.731 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 72 6.122 2.944 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.347 3.845 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.136 4.216 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.649 5.478 -4.709 1.00 0.00 H new ATOM 1178 N ASP A 73 6.051 3.485 -1.545 1.00 0.00 N ATOM 1179 CA ASP A 73 6.361 3.397 -0.100 1.00 0.00 C ATOM 1180 C ASP A 73 6.653 4.750 0.580 1.00 0.00 C ATOM 1181 O ASP A 73 7.291 4.793 1.632 1.00 0.00 O ATOM 1182 CB ASP A 73 7.530 2.439 0.110 1.00 0.00 C ATOM 1183 CG ASP A 73 7.302 1.125 -0.590 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.344 0.421 -0.231 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.047 0.811 -1.543 1.00 0.00 O ATOM 0 H ASP A 73 5.215 2.962 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 73 5.457 3.023 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.447 2.896 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.671 2.264 1.177 1.00 0.00 H new ATOM 1190 N ASN A 74 6.155 5.846 0.023 1.00 0.00 N ATOM 1191 CA ASN A 74 6.396 7.164 0.620 1.00 0.00 C ATOM 1192 C ASN A 74 5.238 8.105 0.362 1.00 0.00 C ATOM 1193 O ASN A 74 5.052 9.082 1.078 1.00 0.00 O ATOM 1194 CB ASN A 74 7.722 7.790 0.142 1.00 0.00 C ATOM 1195 CG ASN A 74 7.669 8.331 -1.275 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.334 9.496 -1.502 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.014 7.507 -2.229 1.00 0.00 N ATOM 0 H ASN A 74 5.591 5.856 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 74 6.480 7.008 1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.996 8.599 0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.510 7.040 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.012 7.821 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.285 6.550 -2.003 1.00 0.00 H new ATOM 1204 N HIS A 75 4.449 7.814 -0.671 1.00 0.00 N ATOM 1205 CA HIS A 75 3.280 8.615 -0.969 1.00 0.00 C ATOM 1206 C HIS A 75 2.320 8.566 0.213 1.00 0.00 C ATOM 1207 O HIS A 75 2.244 7.560 0.926 1.00 0.00 O ATOM 1208 CB HIS A 75 2.588 8.107 -2.233 1.00 0.00 C ATOM 1209 CG HIS A 75 2.213 9.192 -3.196 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.489 9.133 -4.546 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.573 10.366 -3.000 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.038 10.224 -5.132 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.479 10.984 -4.218 1.00 0.00 N ATOM 0 H HIS A 75 4.603 7.032 -1.308 1.00 0.00 H new ATOM 0 HA HIS A 75 3.590 9.646 -1.142 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.246 7.399 -2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.689 7.560 -1.949 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.967 8.365 -5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.205 10.746 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.115 10.454 -6.184 1.00 0.00 H new ATOM 1222 N THR A 76 1.593 9.633 0.421 1.00 0.00 N ATOM 1223 CA THR A 76 0.702 9.743 1.555 1.00 0.00 C ATOM 1224 C THR A 76 -0.751 9.856 1.093 1.00 0.00 C ATOM 1225 O THR A 76 -1.019 10.295 -0.033 1.00 0.00 O ATOM 1226 CB THR A 76 1.062 10.983 2.392 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.013 12.140 1.563 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.453 10.856 2.983 1.00 0.00 C ATOM 0 H THR A 76 1.599 10.451 -0.188 1.00 0.00 H new ATOM 0 HA THR A 76 0.814 8.844 2.161 1.00 0.00 H new ATOM 0 HB THR A 76 0.344 11.068 3.207 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.920 12.376 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.682 11.746 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.496 9.977 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.182 10.754 2.179 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.709 9.479 1.965 1.00 0.00 N ATOM 1237 CA PRO A 77 -3.150 9.548 1.655 1.00 0.00 C ATOM 1238 C PRO A 77 -3.603 10.980 1.397 1.00 0.00 C ATOM 1239 O PRO A 77 -4.488 11.245 0.583 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.817 9.002 2.937 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.784 9.148 4.001 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.467 8.951 3.321 1.00 0.00 C ATOM 0 HA PRO A 77 -3.406 8.990 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.719 9.563 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.113 7.960 2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.840 10.132 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.930 8.412 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.667 9.491 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.178 7.900 3.299 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.942 11.902 2.061 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.272 13.315 1.997 1.00 0.00 C ATOM 1252 C LYS A 78 -2.786 13.920 0.688 1.00 0.00 C ATOM 1253 O LYS A 78 -3.368 14.863 0.165 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.635 14.042 3.197 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.103 13.970 3.233 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.475 15.210 2.623 1.00 0.00 C ATOM 1257 CE LYS A 78 1.039 15.093 2.523 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.641 16.237 1.783 1.00 0.00 N ATOM 0 H LYS A 78 -2.150 11.693 2.669 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.355 13.432 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.938 15.089 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.030 13.614 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.767 13.860 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.766 13.086 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.892 15.376 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.732 16.081 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.466 15.045 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.298 14.161 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.643 16.331 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.564 16.068 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.136 17.113 2.028 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.717 13.360 0.159 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.115 13.855 -1.056 1.00 0.00 C ATOM 1274 C GLU A 79 -1.833 13.289 -2.271 1.00 0.00 C ATOM 1275 O GLU A 79 -1.884 13.906 -3.328 1.00 0.00 O ATOM 1276 CB GLU A 79 0.352 13.458 -1.082 1.00 0.00 C ATOM 1277 CG GLU A 79 1.144 14.093 -2.194 1.00 0.00 C ATOM 1278 CD GLU A 79 1.182 15.597 -2.069 1.00 0.00 C ATOM 1279 OE1 GLU A 79 1.571 16.097 -0.987 1.00 0.00 O ATOM 1280 OE2 GLU A 79 0.834 16.287 -3.050 1.00 0.00 O ATOM 0 H GLU A 79 -1.244 12.550 0.561 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.199 14.941 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.806 13.727 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.422 12.374 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.161 13.702 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.706 13.819 -3.154 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.383 12.101 -2.114 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.112 11.443 -3.185 1.00 0.00 C ATOM 1289 C LEU A 80 -4.502 12.045 -3.341 1.00 0.00 C ATOM 1290 O LEU A 80 -5.195 11.790 -4.329 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.224 9.959 -2.884 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.906 9.201 -2.828 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -2.085 7.898 -2.082 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.381 8.940 -4.230 1.00 0.00 C ATOM 0 H LEU A 80 -2.339 11.566 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.568 11.588 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.734 9.837 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.856 9.499 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.177 9.812 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.135 7.364 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.422 8.104 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.828 7.285 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.438 8.397 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.107 8.346 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.221 9.889 -4.741 1.00 0.00 H new ATOM 1306 N GLY A 81 -4.916 12.845 -2.361 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.221 13.467 -2.430 1.00 0.00 C ATOM 1308 C GLY A 81 -7.338 12.519 -2.050 1.00 0.00 C ATOM 1309 O GLY A 81 -8.509 12.772 -2.347 1.00 0.00 O ATOM 0 H GLY A 81 -4.373 13.070 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.243 14.332 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.391 13.836 -3.442 1.00 0.00 H new ATOM 1313 N MET A 82 -7.003 11.423 -1.388 1.00 0.00 N ATOM 1314 CA MET A 82 -8.002 10.422 -1.057 1.00 0.00 C ATOM 1315 C MET A 82 -8.361 10.454 0.424 1.00 0.00 C ATOM 1316 O MET A 82 -7.844 11.281 1.184 1.00 0.00 O ATOM 1317 CB MET A 82 -7.558 9.029 -1.516 1.00 0.00 C ATOM 1318 CG MET A 82 -6.180 8.587 -1.045 1.00 0.00 C ATOM 1319 SD MET A 82 -6.182 7.899 0.608 1.00 0.00 S ATOM 1320 CE MET A 82 -4.880 6.680 0.441 1.00 0.00 C ATOM 0 H MET A 82 -6.058 11.206 -1.073 1.00 0.00 H new ATOM 0 HA MET A 82 -8.913 10.666 -1.603 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.291 8.301 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.575 9.003 -2.606 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.788 7.844 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.503 9.440 -1.075 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.432 6.490 1.416 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.297 5.753 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.117 7.054 -0.242 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.259 9.566 0.835 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.754 9.544 2.207 1.00 0.00 C ATOM 1332 C GLU A 83 -9.961 8.120 2.691 1.00 0.00 C ATOM 1333 O GLU A 83 -9.451 7.173 2.103 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.069 10.323 2.294 1.00 0.00 C ATOM 1335 CG GLU A 83 -10.886 11.821 2.298 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.192 12.557 2.214 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -12.870 12.688 3.249 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.546 13.013 1.106 1.00 0.00 O ATOM 0 H GLU A 83 -9.661 8.847 0.233 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.009 10.014 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.702 10.045 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.597 10.028 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.362 12.118 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.255 12.110 1.458 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.703 7.964 3.784 1.00 0.00 N ATOM 1346 CA GLU A 84 -10.972 6.651 4.332 1.00 0.00 C ATOM 1347 C GLU A 84 -11.909 5.866 3.421 1.00 0.00 C ATOM 1348 O GLU A 84 -12.544 6.430 2.523 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.572 6.749 5.734 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.033 7.135 5.767 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.605 7.028 7.151 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -13.643 5.901 7.695 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.016 8.058 7.708 1.00 0.00 O ATOM 0 H GLU A 84 -11.126 8.734 4.303 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.021 6.123 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.452 5.788 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.003 7.480 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.148 8.156 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.595 6.491 5.090 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.005 4.565 3.676 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.819 3.652 2.894 1.00 0.00 C ATOM 1362 C GLU A 85 -12.412 3.730 1.435 1.00 0.00 C ATOM 1363 O GLU A 85 -13.230 3.615 0.525 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.304 3.979 3.088 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.208 2.759 3.086 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.570 2.280 1.703 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.385 2.946 1.039 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -15.051 1.228 1.277 1.00 0.00 O ATOM 0 H GLU A 85 -11.510 4.112 4.445 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.659 2.629 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.429 4.510 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.623 4.657 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.714 1.950 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.122 2.993 3.631 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.135 3.939 1.207 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.639 4.051 -0.133 1.00 0.00 C ATOM 1377 C ASP A 86 -10.086 2.719 -0.607 1.00 0.00 C ATOM 1378 O ASP A 86 -9.873 1.800 0.195 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.569 5.119 -0.216 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.657 5.904 -1.509 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.404 5.323 -2.578 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.025 7.104 -1.463 1.00 0.00 O ATOM 0 H ASP A 86 -10.427 4.034 1.935 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.467 4.337 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.668 5.799 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.586 4.655 -0.138 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.841 2.603 -1.898 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.343 1.369 -2.463 1.00 0.00 C ATOM 1389 C VAL A 87 -8.085 1.595 -3.304 1.00 0.00 C ATOM 1390 O VAL A 87 -8.044 2.452 -4.190 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.435 0.644 -3.305 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.944 1.534 -4.429 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.912 -0.680 -3.853 1.00 0.00 C ATOM 0 H VAL A 87 -9.980 3.353 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.075 0.726 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.275 0.428 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.705 1.001 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.376 2.442 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.116 1.798 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.693 -1.166 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.046 -0.494 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.622 -1.327 -3.025 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.050 0.837 -3.006 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.807 0.908 -3.746 1.00 0.00 C ATOM 1405 C ILE A 88 -5.658 -0.355 -4.578 1.00 0.00 C ATOM 1406 O ILE A 88 -6.128 -1.433 -4.187 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.581 1.062 -2.812 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.801 2.197 -1.794 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.313 1.308 -3.623 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.970 3.568 -2.416 1.00 0.00 C ATOM 0 H ILE A 88 -7.046 0.156 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.842 1.790 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.461 0.130 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.685 1.969 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.954 2.224 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.464 1.413 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.141 0.466 -4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.427 2.221 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.120 4.308 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.077 3.821 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.835 3.563 -3.079 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.014 -0.239 -5.713 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.886 -1.344 -6.628 1.00 0.00 C ATOM 1424 C GLU A 89 -3.432 -1.772 -6.747 1.00 0.00 C ATOM 1425 O GLU A 89 -2.537 -0.943 -6.869 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.435 -0.930 -7.985 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.686 -0.074 -7.878 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.317 0.212 -9.216 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -8.149 -0.597 -9.667 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -6.990 1.251 -9.822 1.00 0.00 O ATOM 0 H GLU A 89 -4.565 0.622 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.455 -2.195 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.668 -0.378 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.660 -1.823 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.412 -0.578 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.435 0.869 -7.392 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.189 -3.058 -6.706 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.837 -3.572 -6.792 1.00 0.00 C ATOM 1439 C VAL A 90 -1.628 -4.312 -8.103 1.00 0.00 C ATOM 1440 O VAL A 90 -2.340 -5.274 -8.416 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.499 -4.495 -5.602 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.093 -5.035 -5.721 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.669 -3.749 -4.295 1.00 0.00 C ATOM 0 H VAL A 90 -3.910 -3.774 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.162 -2.717 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.189 -5.339 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.121 -5.682 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.000 -5.606 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.615 -4.206 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.427 -4.412 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.001 -2.888 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.701 -3.410 -4.201 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.653 -3.865 -8.873 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.371 -4.453 -10.168 1.00 0.00 C ATOM 1455 C TYR A 91 0.981 -5.140 -10.173 1.00 0.00 C ATOM 1456 O TYR A 91 1.971 -4.591 -9.687 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.413 -3.385 -11.257 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.757 -2.710 -11.404 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.079 -1.593 -10.648 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.704 -3.189 -12.299 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.302 -0.971 -10.775 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.933 -2.573 -12.435 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.226 -1.465 -11.668 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.453 -0.845 -11.801 1.00 0.00 O ATOM 0 H TYR A 91 -0.039 -3.090 -8.621 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.138 -5.201 -10.370 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.340 -2.628 -11.039 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.141 -3.840 -12.209 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.357 -1.203 -9.946 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.476 -4.058 -12.899 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.534 -0.102 -10.178 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.659 -2.956 -13.137 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.987 -1.318 -12.473 1.00 0.00 H new ATOM 1474 N GLN A 92 1.022 -6.338 -10.728 1.00 0.00 N ATOM 1475 CA GLN A 92 2.247 -7.123 -10.803 1.00 0.00 C ATOM 1476 C GLN A 92 3.158 -6.585 -11.883 1.00 0.00 C ATOM 1477 O GLN A 92 2.855 -6.679 -13.082 1.00 0.00 O ATOM 1478 CB GLN A 92 1.920 -8.605 -11.056 1.00 0.00 C ATOM 1479 CG GLN A 92 3.128 -9.467 -11.407 1.00 0.00 C ATOM 1480 CD GLN A 92 4.206 -9.453 -10.346 1.00 0.00 C ATOM 1481 OE1 GLN A 92 3.928 -9.337 -9.154 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.448 -9.564 -10.778 1.00 0.00 N ATOM 0 H GLN A 92 0.209 -6.796 -11.140 1.00 0.00 H new ATOM 0 HA GLN A 92 2.767 -7.044 -9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.442 -9.016 -10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.194 -8.671 -11.867 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.798 -10.494 -11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.552 -9.119 -12.349 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.634 -9.658 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.222 -9.555 -10.113 1.00 0.00 H new ATOM 1491 N GLU A 93 4.283 -6.026 -11.469 1.00 0.00 N ATOM 1492 CA GLU A 93 5.229 -5.448 -12.384 1.00 0.00 C ATOM 1493 C GLU A 93 6.494 -5.055 -11.646 1.00 0.00 C ATOM 1494 O GLU A 93 6.441 -4.547 -10.524 1.00 0.00 O ATOM 1495 CB GLU A 93 4.623 -4.234 -13.090 1.00 0.00 C ATOM 1496 CG GLU A 93 5.477 -3.693 -14.215 1.00 0.00 C ATOM 1497 CD GLU A 93 5.812 -4.759 -15.226 1.00 0.00 C ATOM 1498 OE1 GLU A 93 4.977 -5.024 -16.117 1.00 0.00 O ATOM 1499 OE2 GLU A 93 6.905 -5.350 -15.124 1.00 0.00 O ATOM 0 H GLU A 93 4.558 -5.965 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 93 5.481 -6.192 -13.140 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.645 -4.507 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.460 -3.443 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.952 -2.876 -14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.398 -3.279 -13.805 1.00 0.00 H new