USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 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 25 ASN :FLIP amide:sc= -0.949 F(o=-3.7,f=-0.59) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -121:sc= 0.359 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 118:sc= 1.19 USER MOD Set 2.2: A 9 THR OG1 : rot -92:sc= 1.07 USER MOD Single : A 2 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.242 (180deg=-0.868) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.0959 USER MOD Single : A 14 THR OG1 : rot -62:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -1.73 (180deg=-2.69) USER MOD Single : A 31 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.026) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.163 (180deg=-0.492) USER MOD Single : A 40 GLN : amide:sc= -2.83 K(o=-2.8,f=-6.4!) USER MOD Single : A 41 GLN : amide:sc= -4.3 K(o=-4.3,f=-9.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00269 X(o=-0.0027,f=-0.15) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -64:sc= 0.123 USER MOD Single : A 60 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.16) USER MOD Single : A 62 GLN : amide:sc=-0.00454 X(o=-0.0045,f=-0.0045) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= -1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 68 HIS : no HD1:sc= -0.274 K(o=-0.27,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.228 -8.821 7.076 1.00 0.00 N ATOM 327 CA GLN A 2 -2.208 -7.801 7.296 1.00 0.00 C ATOM 328 C GLN A 2 -1.681 -7.269 5.969 1.00 0.00 C ATOM 329 O GLN A 2 -1.056 -7.999 5.200 1.00 0.00 O ATOM 330 CB GLN A 2 -1.056 -8.373 8.126 1.00 0.00 C ATOM 331 CG GLN A 2 -0.485 -7.387 9.132 1.00 0.00 C ATOM 332 CD GLN A 2 0.282 -8.073 10.246 1.00 0.00 C ATOM 333 OE1 GLN A 2 -0.008 -9.214 10.606 1.00 0.00 O ATOM 334 NE2 GLN A 2 1.268 -7.376 10.801 1.00 0.00 N ATOM 0 HA GLN A 2 -2.664 -6.976 7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.406 -9.259 8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.261 -8.696 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.175 -6.689 8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.297 -6.800 9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.474 -6.433 10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.819 -7.784 11.557 1.00 0.00 H new ATOM 343 N ILE A 3 -1.936 -5.991 5.705 1.00 0.00 N ATOM 344 CA ILE A 3 -1.486 -5.361 4.470 1.00 0.00 C ATOM 345 C ILE A 3 -0.177 -4.612 4.683 1.00 0.00 C ATOM 346 O ILE A 3 0.283 -4.457 5.814 1.00 0.00 O ATOM 347 CB ILE A 3 -2.541 -4.382 3.923 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.977 -3.405 5.017 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.739 -5.144 3.376 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.515 -2.102 4.485 1.00 0.00 C ATOM 0 H ILE A 3 -2.452 -5.372 6.330 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.332 -6.160 3.744 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.097 -3.811 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.741 -3.880 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.127 -3.199 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.476 -4.438 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.414 -5.802 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.186 -5.739 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.804 -1.461 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.746 -1.605 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.385 -2.297 3.858 1.00 0.00 H new ATOM 362 N PHE A 4 0.421 -4.144 3.591 1.00 0.00 N ATOM 363 CA PHE A 4 1.677 -3.409 3.670 1.00 0.00 C ATOM 364 C PHE A 4 1.532 -2.014 3.070 1.00 0.00 C ATOM 365 O PHE A 4 1.450 -1.854 1.854 1.00 0.00 O ATOM 366 CB PHE A 4 2.794 -4.181 2.961 1.00 0.00 C ATOM 367 CG PHE A 4 3.832 -4.706 3.910 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.507 -3.843 4.756 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.119 -6.060 3.971 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.449 -4.317 5.648 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.064 -6.542 4.857 1.00 0.00 C ATOM 372 CZ PHE A 4 5.730 -5.668 5.698 1.00 0.00 C ATOM 0 H PHE A 4 0.057 -4.261 2.645 1.00 0.00 H new ATOM 0 HA PHE A 4 1.940 -3.301 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.359 -5.014 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.273 -3.529 2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.294 -2.785 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.599 -6.746 3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.965 -3.632 6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.282 -7.599 4.893 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.468 -6.042 6.392 1.00 0.00 H new ATOM 382 N VAL A 5 1.497 -1.007 3.938 1.00 0.00 N ATOM 383 CA VAL A 5 1.361 0.375 3.497 1.00 0.00 C ATOM 384 C VAL A 5 2.705 0.941 3.053 1.00 0.00 C ATOM 385 O VAL A 5 3.576 1.221 3.879 1.00 0.00 O ATOM 386 CB VAL A 5 0.780 1.266 4.612 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.510 2.669 4.090 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.489 0.648 5.181 1.00 0.00 C ATOM 0 H VAL A 5 1.561 -1.123 4.949 1.00 0.00 H new ATOM 0 HA VAL A 5 0.673 0.374 2.651 1.00 0.00 H new ATOM 0 HB VAL A 5 1.514 1.338 5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.100 3.283 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.441 3.110 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.205 2.620 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.886 1.290 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.230 0.544 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.261 -0.334 5.595 1.00 0.00 H new ATOM 398 N LYS A 6 2.867 1.105 1.743 1.00 0.00 N ATOM 399 CA LYS A 6 4.104 1.639 1.184 1.00 0.00 C ATOM 400 C LYS A 6 3.961 3.126 0.874 1.00 0.00 C ATOM 401 O LYS A 6 3.050 3.534 0.153 1.00 0.00 O ATOM 402 CB LYS A 6 4.484 0.876 -0.085 1.00 0.00 C ATOM 403 CG LYS A 6 5.799 1.331 -0.699 1.00 0.00 C ATOM 404 CD LYS A 6 6.390 0.263 -1.604 1.00 0.00 C ATOM 405 CE LYS A 6 7.576 0.795 -2.393 1.00 0.00 C ATOM 406 NZ LYS A 6 7.292 2.130 -2.988 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.156 0.875 1.049 1.00 0.00 H new ATOM 0 HA LYS A 6 4.894 1.514 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.549 -0.187 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.689 0.994 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.638 2.245 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.508 1.571 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.704 -0.591 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.625 -0.096 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.445 0.866 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.830 0.091 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.883 2.266 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.288 2.185 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.506 2.873 -2.292 1.00 0.00 H new ATOM 420 N THR A 7 4.865 3.931 1.421 1.00 0.00 N ATOM 421 CA THR A 7 4.836 5.374 1.200 1.00 0.00 C ATOM 422 C THR A 7 5.670 5.754 -0.018 1.00 0.00 C ATOM 423 O THR A 7 6.501 4.973 -0.484 1.00 0.00 O ATOM 424 CB THR A 7 5.349 6.118 2.437 1.00 0.00 C ATOM 425 OG1 THR A 7 6.766 6.156 2.449 1.00 0.00 O ATOM 426 CG2 THR A 7 4.894 5.501 3.743 1.00 0.00 C ATOM 0 H THR A 7 5.626 3.611 2.020 1.00 0.00 H new ATOM 0 HA THR A 7 3.802 5.665 1.017 1.00 0.00 H new ATOM 0 HB THR A 7 4.927 7.120 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.069 7.087 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.294 6.078 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.805 5.505 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.256 4.475 3.806 1.00 0.00 H new ATOM 434 N LEU A 8 5.443 6.959 -0.532 1.00 0.00 N ATOM 435 CA LEU A 8 6.174 7.444 -1.697 1.00 0.00 C ATOM 436 C LEU A 8 7.675 7.479 -1.422 1.00 0.00 C ATOM 437 O LEU A 8 8.483 7.127 -2.281 1.00 0.00 O ATOM 438 CB LEU A 8 5.677 8.840 -2.091 1.00 0.00 C ATOM 439 CG LEU A 8 4.954 8.928 -3.434 1.00 0.00 C ATOM 440 CD1 LEU A 8 5.957 8.948 -4.559 1.00 0.00 C ATOM 441 CD2 LEU A 8 3.995 7.766 -3.626 1.00 0.00 C ATOM 0 H LEU A 8 4.759 7.617 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 8 5.993 6.756 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.005 9.200 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.531 9.517 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 8 4.375 9.852 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.433 9.011 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.612 9.812 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.553 8.035 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.498 7.860 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.549 6.828 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.249 7.775 -2.831 1.00 0.00 H new ATOM 453 N THR A 9 8.040 7.906 -0.217 1.00 0.00 N ATOM 454 CA THR A 9 9.442 7.985 0.173 1.00 0.00 C ATOM 455 C THR A 9 10.098 6.609 0.127 1.00 0.00 C ATOM 456 O THR A 9 11.290 6.487 -0.152 1.00 0.00 O ATOM 457 CB THR A 9 9.571 8.579 1.576 1.00 0.00 C ATOM 458 OG1 THR A 9 8.444 8.244 2.367 1.00 0.00 O ATOM 459 CG2 THR A 9 9.703 10.087 1.579 1.00 0.00 C ATOM 0 H THR A 9 7.384 8.202 0.506 1.00 0.00 H new ATOM 0 HA THR A 9 9.954 8.635 -0.536 1.00 0.00 H new ATOM 0 HB THR A 9 10.485 8.151 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.769 8.950 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.790 10.443 2.606 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.592 10.376 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.822 10.530 1.115 1.00 0.00 H new ATOM 467 N GLY A 10 9.310 5.575 0.404 1.00 0.00 N ATOM 468 CA GLY A 10 9.831 4.220 0.389 1.00 0.00 C ATOM 469 C GLY A 10 9.772 3.561 1.752 1.00 0.00 C ATOM 470 O GLY A 10 10.807 3.234 2.335 1.00 0.00 O ATOM 0 H GLY A 10 8.320 5.651 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.262 3.623 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.864 4.235 0.041 1.00 0.00 H new ATOM 474 N LYS A 11 8.560 3.365 2.262 1.00 0.00 N ATOM 475 CA LYS A 11 8.373 2.739 3.566 1.00 0.00 C ATOM 476 C LYS A 11 7.144 1.837 3.568 1.00 0.00 C ATOM 477 O LYS A 11 6.011 2.313 3.628 1.00 0.00 O ATOM 478 CB LYS A 11 8.236 3.806 4.654 1.00 0.00 C ATOM 479 CG LYS A 11 8.014 3.231 6.045 1.00 0.00 C ATOM 480 CD LYS A 11 9.252 3.343 6.908 1.00 0.00 C ATOM 481 CE LYS A 11 9.704 1.987 7.425 1.00 0.00 C ATOM 482 NZ LYS A 11 10.917 2.093 8.280 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.694 3.630 1.793 1.00 0.00 H new ATOM 0 HA LYS A 11 9.251 2.127 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.136 4.421 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.403 4.463 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.188 3.754 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.723 2.184 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.057 3.799 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.049 4.004 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.896 1.529 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.911 1.328 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.192 1.146 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.696 2.506 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.713 2.701 9.099 1.00 0.00 H new ATOM 496 N THR A 12 7.380 0.531 3.510 1.00 0.00 N ATOM 497 CA THR A 12 6.297 -0.446 3.511 1.00 0.00 C ATOM 498 C THR A 12 6.178 -1.105 4.881 1.00 0.00 C ATOM 499 O THR A 12 7.038 -1.891 5.276 1.00 0.00 O ATOM 500 CB THR A 12 6.542 -1.508 2.439 1.00 0.00 C ATOM 501 OG1 THR A 12 7.293 -0.972 1.364 1.00 0.00 O ATOM 502 CG2 THR A 12 5.266 -2.084 1.864 1.00 0.00 C ATOM 0 H THR A 12 8.314 0.124 3.462 1.00 0.00 H new ATOM 0 HA THR A 12 5.364 0.071 3.289 1.00 0.00 H new ATOM 0 HB THR A 12 7.087 -2.306 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.577 -1.698 0.770 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.512 -2.831 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.686 -2.550 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.680 -1.286 1.407 1.00 0.00 H new ATOM 510 N ILE A 13 5.113 -0.778 5.607 1.00 0.00 N ATOM 511 CA ILE A 13 4.905 -1.342 6.937 1.00 0.00 C ATOM 512 C ILE A 13 3.688 -2.262 6.986 1.00 0.00 C ATOM 513 O ILE A 13 2.659 -1.984 6.372 1.00 0.00 O ATOM 514 CB ILE A 13 4.731 -0.243 7.999 1.00 0.00 C ATOM 515 CG1 ILE A 13 5.989 0.597 8.112 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.415 -0.866 9.337 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.197 -0.212 8.473 1.00 0.00 C ATOM 0 H ILE A 13 4.386 -0.131 5.300 1.00 0.00 H new ATOM 0 HA ILE A 13 5.801 -1.923 7.157 1.00 0.00 H new ATOM 0 HB ILE A 13 3.907 0.402 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.168 1.105 7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.837 1.371 8.865 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.293 -0.082 10.084 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.492 -1.442 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.231 -1.525 9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.066 0.442 8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.035 -0.699 9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.370 -0.969 7.708 1.00 0.00 H new ATOM 529 N THR A 14 3.820 -3.354 7.733 1.00 0.00 N ATOM 530 CA THR A 14 2.736 -4.316 7.879 1.00 0.00 C ATOM 531 C THR A 14 1.684 -3.777 8.839 1.00 0.00 C ATOM 532 O THR A 14 1.927 -3.650 10.039 1.00 0.00 O ATOM 533 CB THR A 14 3.271 -5.657 8.388 1.00 0.00 C ATOM 534 OG1 THR A 14 4.674 -5.738 8.214 1.00 0.00 O ATOM 535 CG2 THR A 14 2.652 -6.849 7.691 1.00 0.00 C ATOM 0 H THR A 14 4.668 -3.594 8.246 1.00 0.00 H new ATOM 0 HA THR A 14 2.280 -4.473 6.902 1.00 0.00 H new ATOM 0 HB THR A 14 3.003 -5.693 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.889 -5.684 7.259 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.074 -7.768 8.098 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.574 -6.844 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.862 -6.795 6.623 1.00 0.00 H new ATOM 543 N LEU A 15 0.519 -3.450 8.299 1.00 0.00 N ATOM 544 CA LEU A 15 -0.568 -2.912 9.101 1.00 0.00 C ATOM 545 C LEU A 15 -1.845 -3.721 8.894 1.00 0.00 C ATOM 546 O LEU A 15 -2.314 -3.887 7.767 1.00 0.00 O ATOM 547 CB LEU A 15 -0.793 -1.443 8.741 1.00 0.00 C ATOM 548 CG LEU A 15 -1.506 -0.607 9.802 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.837 -1.237 10.173 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.627 -0.446 11.033 1.00 0.00 C ATOM 0 H LEU A 15 0.303 -3.548 7.307 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.298 -2.981 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.174 -0.986 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.372 -1.398 7.819 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.700 0.382 9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.330 -0.627 10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.470 -1.298 9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.668 -2.239 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.151 0.152 11.778 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.401 -1.428 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.301 0.053 10.755 1.00 0.00 H new ATOM 562 N GLU A 16 -2.396 -4.232 9.991 1.00 0.00 N ATOM 563 CA GLU A 16 -3.613 -5.033 9.937 1.00 0.00 C ATOM 564 C GLU A 16 -4.853 -4.148 9.872 1.00 0.00 C ATOM 565 O GLU A 16 -5.006 -3.215 10.661 1.00 0.00 O ATOM 566 CB GLU A 16 -3.692 -5.956 11.156 1.00 0.00 C ATOM 567 CG GLU A 16 -4.937 -6.817 11.190 1.00 0.00 C ATOM 568 CD GLU A 16 -4.893 -7.949 10.182 1.00 0.00 C ATOM 569 OE1 GLU A 16 -3.798 -8.509 9.967 1.00 0.00 O ATOM 570 OE2 GLU A 16 -5.953 -8.276 9.610 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.018 -4.105 10.930 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.579 -5.637 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.814 -6.602 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.655 -5.351 12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.060 -7.231 12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.810 -6.194 10.993 1.00 0.00 H new ATOM 577 N VAL A 17 -5.738 -4.454 8.931 1.00 0.00 N ATOM 578 CA VAL A 17 -6.971 -3.695 8.759 1.00 0.00 C ATOM 579 C VAL A 17 -8.075 -4.572 8.176 1.00 0.00 C ATOM 580 O VAL A 17 -7.906 -5.176 7.118 1.00 0.00 O ATOM 581 CB VAL A 17 -6.761 -2.476 7.843 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.997 -1.383 8.572 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.038 -2.882 6.568 1.00 0.00 C ATOM 0 H VAL A 17 -5.624 -5.225 8.273 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.268 -3.346 9.748 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.739 -2.081 7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.859 -0.530 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.560 -1.070 9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.023 -1.764 8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.899 -2.006 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.066 -3.305 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.630 -3.626 6.035 1.00 0.00 H new ATOM 593 N GLU A 18 -9.204 -4.639 8.876 1.00 0.00 N ATOM 594 CA GLU A 18 -10.334 -5.444 8.426 1.00 0.00 C ATOM 595 C GLU A 18 -10.785 -5.021 7.030 1.00 0.00 C ATOM 596 O GLU A 18 -10.703 -3.846 6.672 1.00 0.00 O ATOM 597 CB GLU A 18 -11.498 -5.320 9.409 1.00 0.00 C ATOM 598 CG GLU A 18 -11.279 -6.078 10.709 1.00 0.00 C ATOM 599 CD GLU A 18 -12.579 -6.422 11.409 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.342 -7.252 10.870 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -12.835 -5.862 12.496 1.00 0.00 O ATOM 0 H GLU A 18 -9.360 -4.146 9.755 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.011 -6.484 8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.661 -4.266 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.406 -5.688 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.728 -6.996 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.659 -5.478 11.375 1.00 0.00 H new ATOM 608 N PRO A 19 -11.269 -5.976 6.216 1.00 0.00 N ATOM 609 CA PRO A 19 -11.732 -5.690 4.855 1.00 0.00 C ATOM 610 C PRO A 19 -12.777 -4.581 4.824 1.00 0.00 C ATOM 611 O PRO A 19 -12.904 -3.860 3.835 1.00 0.00 O ATOM 612 CB PRO A 19 -12.345 -7.016 4.398 1.00 0.00 C ATOM 613 CG PRO A 19 -11.676 -8.054 5.231 1.00 0.00 C ATOM 614 CD PRO A 19 -11.401 -7.404 6.558 1.00 0.00 C ATOM 0 HA PRO A 19 -10.923 -5.339 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.425 -7.025 4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.169 -7.188 3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.314 -8.930 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.752 -8.394 4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.213 -7.575 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.492 -7.794 7.016 1.00 0.00 H new ATOM 622 N SER A 20 -13.526 -4.451 5.915 1.00 0.00 N ATOM 623 CA SER A 20 -14.562 -3.430 6.014 1.00 0.00 C ATOM 624 C SER A 20 -14.111 -2.283 6.914 1.00 0.00 C ATOM 625 O SER A 20 -14.927 -1.648 7.582 1.00 0.00 O ATOM 626 CB SER A 20 -15.857 -4.038 6.556 1.00 0.00 C ATOM 627 OG SER A 20 -15.931 -5.423 6.263 1.00 0.00 O ATOM 0 H SER A 20 -13.434 -5.040 6.743 1.00 0.00 H new ATOM 0 HA SER A 20 -14.744 -3.035 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.910 -3.888 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.714 -3.524 6.120 1.00 0.00 H new ATOM 0 HG SER A 20 -16.767 -5.789 6.621 1.00 0.00 H new ATOM 633 N ASP A 21 -12.808 -2.022 6.923 1.00 0.00 N ATOM 634 CA ASP A 21 -12.250 -0.950 7.740 1.00 0.00 C ATOM 635 C ASP A 21 -12.012 0.304 6.905 1.00 0.00 C ATOM 636 O ASP A 21 -11.227 0.289 5.957 1.00 0.00 O ATOM 637 CB ASP A 21 -10.939 -1.403 8.386 1.00 0.00 C ATOM 638 CG ASP A 21 -10.791 -0.900 9.809 1.00 0.00 C ATOM 639 OD1 ASP A 21 -11.825 -0.607 10.446 1.00 0.00 O ATOM 640 OD2 ASP A 21 -9.642 -0.799 10.287 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.119 -2.537 6.375 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.970 -0.712 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.893 -2.492 8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.100 -1.046 7.788 1.00 0.00 H new ATOM 645 N THR A 22 -12.696 1.386 7.262 1.00 0.00 N ATOM 646 CA THR A 22 -12.557 2.648 6.545 1.00 0.00 C ATOM 647 C THR A 22 -11.112 3.136 6.579 1.00 0.00 C ATOM 648 O THR A 22 -10.313 2.680 7.397 1.00 0.00 O ATOM 649 CB THR A 22 -13.480 3.707 7.151 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.290 3.795 8.552 1.00 0.00 O ATOM 651 CG2 THR A 22 -14.948 3.434 6.903 1.00 0.00 C ATOM 0 H THR A 22 -13.352 1.414 8.043 1.00 0.00 H new ATOM 0 HA THR A 22 -12.841 2.481 5.506 1.00 0.00 H new ATOM 0 HB THR A 22 -13.212 4.641 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.888 4.478 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.547 4.222 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.137 3.409 5.830 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.219 2.473 7.341 1.00 0.00 H new ATOM 659 N ILE A 23 -10.783 4.064 5.687 1.00 0.00 N ATOM 660 CA ILE A 23 -9.433 4.611 5.619 1.00 0.00 C ATOM 661 C ILE A 23 -9.032 5.247 6.946 1.00 0.00 C ATOM 662 O ILE A 23 -7.882 5.147 7.371 1.00 0.00 O ATOM 663 CB ILE A 23 -9.300 5.658 4.496 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.765 5.069 3.162 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.862 6.150 4.391 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.019 3.815 2.762 1.00 0.00 C ATOM 0 H ILE A 23 -11.431 4.453 5.002 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.766 3.777 5.402 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.936 6.509 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.830 4.844 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.643 5.819 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.788 6.889 3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.563 6.605 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.205 5.309 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.401 3.453 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.956 4.039 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.161 3.048 3.524 1.00 0.00 H new ATOM 678 N GLU A 24 -9.987 5.905 7.594 1.00 0.00 N ATOM 679 CA GLU A 24 -9.729 6.559 8.872 1.00 0.00 C ATOM 680 C GLU A 24 -9.239 5.553 9.909 1.00 0.00 C ATOM 681 O GLU A 24 -8.316 5.837 10.672 1.00 0.00 O ATOM 682 CB GLU A 24 -10.992 7.259 9.378 1.00 0.00 C ATOM 683 CG GLU A 24 -11.131 8.691 8.888 1.00 0.00 C ATOM 684 CD GLU A 24 -12.497 9.278 9.185 1.00 0.00 C ATOM 685 OE1 GLU A 24 -13.192 8.746 10.075 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.872 10.270 8.526 1.00 0.00 O1- ATOM 0 H GLU A 24 -10.945 6.000 7.256 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.949 7.304 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.865 6.689 9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.988 7.255 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.365 9.308 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.952 8.723 7.813 1.00 0.00 H new ATOM 693 N ASN A 25 -9.859 4.377 9.928 1.00 0.00 N ATOM 694 CA ASN A 25 -9.478 3.326 10.868 1.00 0.00 C ATOM 695 C ASN A 25 -8.075 2.818 10.557 1.00 0.00 C ATOM 696 O ASN A 25 -7.331 2.408 11.451 1.00 0.00 O ATOM 697 CB ASN A 25 -10.479 2.171 10.809 1.00 0.00 C ATOM 698 CG ASN A 25 -10.521 1.375 12.098 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.430 0.683 12.403 1.00 0.00 O flip ATOM 700 ND2 ASN A 25 -11.524 1.383 12.814 1.00 0.00 N flip ATOM 0 H ASN A 25 -10.627 4.127 9.304 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.484 3.745 11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.473 2.566 10.597 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.216 1.508 9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.341 1.929 12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.537 0.843 13.679 1.00 0.00 H new ATOM 707 N VAL A 26 -7.718 2.861 9.282 1.00 0.00 N ATOM 708 CA VAL A 26 -6.405 2.423 8.835 1.00 0.00 C ATOM 709 C VAL A 26 -5.368 3.473 9.186 1.00 0.00 C ATOM 710 O VAL A 26 -4.405 3.194 9.899 1.00 0.00 O ATOM 711 CB VAL A 26 -6.397 2.152 7.323 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.213 1.279 6.934 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.711 1.505 6.915 1.00 0.00 C ATOM 0 H VAL A 26 -8.325 3.197 8.534 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.161 1.490 9.344 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.292 3.099 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.230 1.101 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.285 1.783 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.275 0.326 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.704 1.313 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.835 0.564 7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.537 2.173 7.159 1.00 0.00 H new ATOM 723 N LYS A 27 -5.600 4.703 8.730 1.00 0.00 N ATOM 724 CA LYS A 27 -4.705 5.801 9.060 1.00 0.00 C ATOM 725 C LYS A 27 -4.646 5.930 10.575 1.00 0.00 C ATOM 726 O LYS A 27 -3.676 6.428 11.142 1.00 0.00 O ATOM 727 CB LYS A 27 -5.193 7.109 8.432 1.00 0.00 C ATOM 728 CG LYS A 27 -5.125 7.121 6.913 1.00 0.00 C ATOM 729 CD LYS A 27 -3.820 6.526 6.408 1.00 0.00 C ATOM 730 CE LYS A 27 -3.684 6.673 4.902 1.00 0.00 C ATOM 731 NZ LYS A 27 -2.704 7.732 4.534 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.391 4.958 8.139 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.711 5.596 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.222 7.289 8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.595 7.933 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.964 6.557 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.223 8.145 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.981 7.018 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.772 5.471 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.370 5.722 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.656 6.912 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.461 7.645 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.122 8.668 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.844 7.623 5.108 1.00 0.00 H new ATOM 745 N ALA A 28 -5.704 5.438 11.218 1.00 0.00 N ATOM 746 CA ALA A 28 -5.814 5.440 12.661 1.00 0.00 C ATOM 747 C ALA A 28 -4.724 4.565 13.264 1.00 0.00 C ATOM 748 O ALA A 28 -3.874 5.037 14.021 1.00 0.00 O ATOM 749 CB ALA A 28 -7.189 4.927 13.058 1.00 0.00 C ATOM 0 H ALA A 28 -6.508 5.027 10.743 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.689 6.455 13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.277 4.926 14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.956 5.574 12.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.321 3.912 12.683 1.00 0.00 H new ATOM 755 N LYS A 29 -4.747 3.283 12.904 1.00 0.00 N ATOM 756 CA LYS A 29 -3.750 2.338 13.389 1.00 0.00 C ATOM 757 C LYS A 29 -2.355 2.782 12.964 1.00 0.00 C ATOM 758 O LYS A 29 -1.414 2.756 13.756 1.00 0.00 O ATOM 759 CB LYS A 29 -4.041 0.935 12.855 1.00 0.00 C ATOM 760 CG LYS A 29 -5.370 0.367 13.328 1.00 0.00 C ATOM 761 CD LYS A 29 -5.498 -1.110 12.987 1.00 0.00 C ATOM 762 CE LYS A 29 -6.898 -1.449 12.499 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.864 -1.573 13.625 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.444 2.878 12.280 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.796 2.313 14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.034 0.961 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.239 0.264 13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.462 0.502 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.188 0.920 12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.770 -1.372 12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.263 -1.709 13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.240 -0.676 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.871 -2.384 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.281 -2.526 13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.369 -1.416 14.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.617 -0.864 13.516 1.00 0.00 H new ATOM 777 N ILE A 30 -2.236 3.204 11.707 1.00 0.00 N ATOM 778 CA ILE A 30 -0.962 3.672 11.178 1.00 0.00 C ATOM 779 C ILE A 30 -0.492 4.904 11.946 1.00 0.00 C ATOM 780 O ILE A 30 0.706 5.139 12.094 1.00 0.00 O ATOM 781 CB ILE A 30 -1.064 4.016 9.675 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.497 2.785 8.878 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.266 4.544 9.155 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.758 3.072 7.416 1.00 0.00 C ATOM 0 H ILE A 30 -3.006 3.231 11.039 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.241 2.864 11.299 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.815 4.795 9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.724 2.021 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.401 2.372 9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.174 4.781 8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.540 5.444 9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.037 3.786 9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.061 2.153 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.552 3.813 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.849 3.456 6.953 1.00 0.00 H new ATOM 796 N GLN A 31 -1.452 5.682 12.437 1.00 0.00 N ATOM 797 CA GLN A 31 -1.151 6.887 13.197 1.00 0.00 C ATOM 798 C GLN A 31 -0.595 6.528 14.571 1.00 0.00 C ATOM 799 O GLN A 31 0.316 7.182 15.074 1.00 0.00 O ATOM 800 CB GLN A 31 -2.407 7.748 13.345 1.00 0.00 C ATOM 801 CG GLN A 31 -2.200 8.996 14.187 1.00 0.00 C ATOM 802 CD GLN A 31 -2.767 8.856 15.586 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.982 8.794 15.772 1.00 0.00 O ATOM 804 NE2 GLN A 31 -1.886 8.807 16.579 1.00 0.00 N ATOM 0 H GLN A 31 -2.448 5.497 12.321 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.396 7.457 12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.753 8.043 12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.198 7.146 13.793 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.134 9.214 14.251 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.670 9.846 13.692 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.887 8.862 16.378 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.208 8.714 17.542 1.00 0.00 H new ATOM 813 N ASP A 32 -1.153 5.482 15.171 1.00 0.00 N ATOM 814 CA ASP A 32 -0.712 5.033 16.486 1.00 0.00 C ATOM 815 C ASP A 32 0.509 4.119 16.380 1.00 0.00 C ATOM 816 O ASP A 32 1.176 3.844 17.377 1.00 0.00 O ATOM 817 CB ASP A 32 -1.848 4.300 17.203 1.00 0.00 C ATOM 818 CG ASP A 32 -1.705 4.347 18.712 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.016 5.260 19.215 1.00 0.00 O ATOM 820 OD2 ASP A 32 -2.283 3.472 19.390 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.910 4.930 14.768 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.430 5.914 17.062 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.801 4.745 16.917 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.870 3.261 16.875 1.00 0.00 H new ATOM 825 N LYS A 33 0.796 3.646 15.168 1.00 0.00 N ATOM 826 CA LYS A 33 1.935 2.762 14.944 1.00 0.00 C ATOM 827 C LYS A 33 3.145 3.537 14.428 1.00 0.00 C ATOM 828 O LYS A 33 4.288 3.137 14.650 1.00 0.00 O ATOM 829 CB LYS A 33 1.560 1.659 13.952 1.00 0.00 C ATOM 830 CG LYS A 33 1.267 0.321 14.612 1.00 0.00 C ATOM 831 CD LYS A 33 1.817 -0.836 13.799 1.00 0.00 C ATOM 832 CE LYS A 33 3.147 -1.324 14.351 1.00 0.00 C ATOM 833 NZ LYS A 33 4.068 -0.197 14.660 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.256 3.860 14.329 1.00 0.00 H new ATOM 0 HA LYS A 33 2.203 2.311 15.900 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.684 1.974 13.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.374 1.532 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.703 0.304 15.611 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.190 0.202 14.732 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.099 -1.656 13.800 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.945 -0.525 12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.972 -1.908 15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.618 -1.989 13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.030 -0.565 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.070 0.477 13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.748 0.286 15.524 1.00 0.00 H new ATOM 847 N GLU A 34 2.890 4.641 13.732 1.00 0.00 N ATOM 848 CA GLU A 34 3.966 5.459 13.182 1.00 0.00 C ATOM 849 C GLU A 34 3.952 6.867 13.771 1.00 0.00 C ATOM 850 O GLU A 34 5.004 7.454 14.024 1.00 0.00 O ATOM 851 CB GLU A 34 3.848 5.533 11.658 1.00 0.00 C ATOM 852 CG GLU A 34 4.616 4.438 10.935 1.00 0.00 C ATOM 853 CD GLU A 34 5.932 4.928 10.365 1.00 0.00 C ATOM 854 OE1 GLU A 34 5.951 6.028 9.774 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.946 4.212 10.509 1.00 0.00 O ATOM 0 H GLU A 34 1.951 4.989 13.536 1.00 0.00 H new ATOM 0 HA GLU A 34 4.912 4.988 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.796 5.472 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.211 6.504 11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.807 3.617 11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.001 4.040 10.128 1.00 0.00 H new ATOM 862 N GLY A 35 2.756 7.407 13.985 1.00 0.00 N ATOM 863 CA GLY A 35 2.635 8.743 14.538 1.00 0.00 C ATOM 864 C GLY A 35 2.289 9.775 13.482 1.00 0.00 C ATOM 865 O GLY A 35 2.649 10.946 13.606 1.00 0.00 O ATOM 0 H GLY A 35 1.870 6.943 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.866 8.746 15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.572 9.020 15.020 1.00 0.00 H new ATOM 869 N ILE A 36 1.590 9.338 12.440 1.00 0.00 N ATOM 870 CA ILE A 36 1.195 10.227 11.354 1.00 0.00 C ATOM 871 C ILE A 36 -0.307 10.512 11.393 1.00 0.00 C ATOM 872 O ILE A 36 -1.120 9.602 11.233 1.00 0.00 O ATOM 873 CB ILE A 36 1.556 9.627 9.982 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.007 9.144 9.979 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.327 10.649 8.879 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.355 8.289 8.781 1.00 0.00 C ATOM 0 H ILE A 36 1.285 8.372 12.325 1.00 0.00 H new ATOM 0 HA ILE A 36 1.742 11.160 11.492 1.00 0.00 H new ATOM 0 HB ILE A 36 0.908 8.771 9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.670 10.009 10.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.194 8.574 10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.587 10.209 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.279 10.947 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.951 11.524 9.059 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.399 7.982 8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.717 7.405 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.200 8.863 7.867 1.00 0.00 H new ATOM 888 N PRO A 37 -0.700 11.782 11.608 1.00 0.00 N ATOM 889 CA PRO A 37 -2.114 12.169 11.665 1.00 0.00 C ATOM 890 C PRO A 37 -2.878 11.758 10.408 1.00 0.00 C ATOM 891 O PRO A 37 -2.346 11.828 9.300 1.00 0.00 O ATOM 892 CB PRO A 37 -2.066 13.696 11.786 1.00 0.00 C ATOM 893 CG PRO A 37 -0.722 13.993 12.353 1.00 0.00 C ATOM 894 CD PRO A 37 0.197 12.935 11.812 1.00 0.00 C ATOM 0 HA PRO A 37 -2.635 11.681 12.489 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.200 14.174 10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.859 14.066 12.435 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.386 14.988 12.061 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.744 13.971 13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.668 13.249 10.880 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.999 12.702 12.512 1.00 0.00 H new ATOM 902 N PRO A 38 -4.143 11.321 10.560 1.00 0.00 N ATOM 903 CA PRO A 38 -4.973 10.900 9.425 1.00 0.00 C ATOM 904 C PRO A 38 -5.130 11.998 8.378 1.00 0.00 C ATOM 905 O PRO A 38 -5.271 11.718 7.188 1.00 0.00 O ATOM 906 CB PRO A 38 -6.329 10.580 10.064 1.00 0.00 C ATOM 907 CG PRO A 38 -6.027 10.321 11.499 1.00 0.00 C ATOM 908 CD PRO A 38 -4.861 11.203 11.841 1.00 0.00 C ATOM 0 HA PRO A 38 -4.528 10.059 8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.025 11.411 9.951 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.791 9.711 9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.888 10.551 12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.784 9.271 11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.186 12.175 12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.234 10.760 12.615 1.00 0.00 H new ATOM 916 N ASP A 39 -5.107 13.250 8.828 1.00 0.00 N ATOM 917 CA ASP A 39 -5.251 14.388 7.926 1.00 0.00 C ATOM 918 C ASP A 39 -3.890 14.952 7.524 1.00 0.00 C ATOM 919 O ASP A 39 -3.782 16.116 7.141 1.00 0.00 O ATOM 920 CB ASP A 39 -6.094 15.482 8.586 1.00 0.00 C ATOM 921 CG ASP A 39 -7.573 15.331 8.290 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.176 14.348 8.767 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -8.126 16.196 7.579 1.00 0.00 O ATOM 0 H ASP A 39 -4.990 13.501 9.810 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.755 14.039 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.938 15.456 9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.755 16.458 8.238 1.00 0.00 H new ATOM 928 N GLN A 40 -2.856 14.121 7.612 1.00 0.00 N ATOM 929 CA GLN A 40 -1.506 14.543 7.255 1.00 0.00 C ATOM 930 C GLN A 40 -0.944 13.683 6.126 1.00 0.00 C ATOM 931 O GLN A 40 -0.169 14.160 5.296 1.00 0.00 O ATOM 932 CB GLN A 40 -0.587 14.469 8.477 1.00 0.00 C ATOM 933 CG GLN A 40 -0.327 15.819 9.127 1.00 0.00 C ATOM 934 CD GLN A 40 -1.606 16.561 9.462 1.00 0.00 C ATOM 935 OE1 GLN A 40 -2.193 16.362 10.526 1.00 0.00 O ATOM 936 NE2 GLN A 40 -2.045 17.425 8.553 1.00 0.00 N ATOM 0 H GLN A 40 -2.927 13.153 7.927 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.555 15.575 6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.030 13.800 9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.365 14.029 8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.254 15.674 10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.278 16.430 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.527 17.559 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.900 17.954 8.724 1.00 0.00 H new ATOM 945 N GLN A 41 -1.335 12.412 6.103 1.00 0.00 N ATOM 946 CA GLN A 41 -0.868 11.486 5.079 1.00 0.00 C ATOM 947 C GLN A 41 -2.014 11.047 4.173 1.00 0.00 C ATOM 948 O GLN A 41 -3.137 10.836 4.633 1.00 0.00 O ATOM 949 CB GLN A 41 -0.222 10.263 5.732 1.00 0.00 C ATOM 950 CG GLN A 41 -1.103 9.593 6.775 1.00 0.00 C ATOM 951 CD GLN A 41 -0.393 8.472 7.508 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.667 8.011 7.084 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.975 8.028 8.615 1.00 0.00 N ATOM 0 H GLN A 41 -1.975 12.001 6.783 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.127 12.002 4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.026 9.537 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.716 10.564 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.437 10.339 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.995 9.197 6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.854 8.440 8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.544 7.275 9.151 1.00 0.00 H new ATOM 962 N ARG A 42 -1.724 10.910 2.883 1.00 0.00 N ATOM 963 CA ARG A 42 -2.729 10.494 1.912 1.00 0.00 C ATOM 964 C ARG A 42 -2.494 9.053 1.472 1.00 0.00 C ATOM 965 O ARG A 42 -1.363 8.566 1.489 1.00 0.00 O ATOM 966 CB ARG A 42 -2.709 11.422 0.696 1.00 0.00 C ATOM 967 CG ARG A 42 -2.679 12.898 1.057 1.00 0.00 C ATOM 968 CD ARG A 42 -3.846 13.275 1.956 1.00 0.00 C ATOM 969 NE ARG A 42 -3.978 14.723 2.103 1.00 0.00 N ATOM 970 CZ ARG A 42 -5.086 15.326 2.528 1.00 0.00 C ATOM 971 NH1 ARG A 42 -6.158 14.612 2.849 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -5.123 16.648 2.633 1.00 0.00 N ATOM 0 H ARG A 42 -0.800 11.081 2.486 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.707 10.555 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.837 11.188 0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.589 11.224 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.741 13.132 1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.711 13.497 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.768 12.867 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.709 12.822 2.938 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.175 15.305 1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.136 13.595 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.004 15.080 3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.302 17.202 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.972 17.110 2.959 1.00 0.00 H new ATOM 986 N LEU A 43 -3.567 8.373 1.081 1.00 0.00 N ATOM 987 CA LEU A 43 -3.474 6.985 0.642 1.00 0.00 C ATOM 988 C LEU A 43 -4.032 6.818 -0.768 1.00 0.00 C ATOM 989 O LEU A 43 -4.971 7.510 -1.162 1.00 0.00 O ATOM 990 CB LEU A 43 -4.225 6.070 1.614 1.00 0.00 C ATOM 991 CG LEU A 43 -3.526 4.754 1.945 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.115 5.026 2.416 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.309 3.980 2.996 1.00 0.00 C ATOM 0 H LEU A 43 -4.510 8.760 1.059 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.421 6.705 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.395 6.615 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.205 5.846 1.192 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.481 4.142 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.622 4.083 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.562 5.539 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.143 5.652 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.794 3.045 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.386 4.577 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.308 3.763 2.619 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.448 5.893 -1.523 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.885 5.631 -2.888 1.00 0.00 C ATOM 1007 C ILE A 44 -3.660 4.170 -3.264 1.00 0.00 C ATOM 1008 O ILE A 44 -2.664 3.563 -2.870 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.145 6.530 -3.898 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.157 7.985 -3.424 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.776 6.410 -5.277 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.444 8.933 -4.364 1.00 0.00 C ATOM 0 H ILE A 44 -2.670 5.312 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.951 5.855 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.109 6.199 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.190 8.312 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.691 8.042 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.242 7.051 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.718 5.375 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.820 6.718 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.492 9.946 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.401 8.631 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.924 8.905 -5.342 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.592 3.611 -4.028 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.495 2.220 -4.457 1.00 0.00 C ATOM 1026 C PHE A 45 -5.340 1.974 -5.704 1.00 0.00 C ATOM 1027 O PHE A 45 -6.438 2.514 -5.838 1.00 0.00 O ATOM 1028 CB PHE A 45 -4.944 1.286 -3.332 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.487 -0.133 -3.512 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.142 -0.427 -3.670 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.401 -1.174 -3.524 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -2.718 -1.732 -3.835 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -4.983 -2.481 -3.690 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.640 -2.761 -3.846 1.00 0.00 C ATOM 0 H PHE A 45 -5.423 4.099 -4.363 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.453 2.013 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.563 1.664 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.032 1.303 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.417 0.373 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.453 -0.962 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.667 -1.947 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.707 -3.283 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.311 -3.781 -3.976 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.819 1.156 -6.613 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.524 0.837 -7.849 1.00 0.00 C ATOM 1046 C ALA A 46 -5.859 2.102 -8.633 1.00 0.00 C ATOM 1047 O ALA A 46 -6.926 2.206 -9.238 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.792 0.053 -7.545 1.00 0.00 C ATOM 0 H ALA A 46 -3.911 0.702 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.867 0.222 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.309 -0.179 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.533 -0.874 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.444 0.649 -6.907 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.939 3.061 -8.619 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.155 4.307 -9.331 1.00 0.00 C ATOM 1056 C GLY A 47 -6.349 5.077 -8.802 1.00 0.00 C ATOM 1057 O GLY A 47 -6.969 5.851 -9.531 1.00 0.00 O ATOM 0 H GLY A 47 -4.048 2.998 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.262 4.927 -9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.303 4.096 -10.390 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.670 4.867 -7.529 1.00 0.00 N ATOM 1062 CA LYS A 48 -7.796 5.548 -6.902 1.00 0.00 C ATOM 1063 C LYS A 48 -7.360 6.259 -5.626 1.00 0.00 C ATOM 1064 O LYS A 48 -6.488 5.777 -4.902 1.00 0.00 O ATOM 1065 CB LYS A 48 -8.912 4.549 -6.589 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.720 4.136 -7.807 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.563 2.904 -7.526 1.00 0.00 C ATOM 1068 CE LYS A 48 -9.897 1.641 -8.047 1.00 0.00 C ATOM 1069 NZ LYS A 48 -10.206 1.403 -9.484 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.166 4.230 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.172 6.295 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.475 3.660 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.583 4.987 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.367 4.959 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.047 3.935 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.729 2.813 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.542 3.018 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.818 1.719 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.229 0.786 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.733 0.533 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.234 1.303 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.867 2.207 -10.050 1.00 0.00 H new ATOM 1083 N GLN A 49 -7.971 7.407 -5.354 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.645 8.185 -4.164 1.00 0.00 C ATOM 1085 C GLN A 49 -8.414 7.670 -2.951 1.00 0.00 C ATOM 1086 O GLN A 49 -9.629 7.842 -2.855 1.00 0.00 O ATOM 1087 CB GLN A 49 -7.961 9.664 -4.394 1.00 0.00 C ATOM 1088 CG GLN A 49 -6.821 10.442 -4.989 1.00 0.00 C ATOM 1089 CD GLN A 49 -7.219 11.222 -6.227 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -7.822 10.676 -7.151 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.882 12.505 -6.251 1.00 0.00 N ATOM 0 H GLN A 49 -8.695 7.820 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.578 8.075 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.826 9.743 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.242 10.118 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.430 11.132 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.013 9.756 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.382 12.916 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.123 13.080 -7.058 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.696 7.041 -2.026 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.310 6.503 -0.818 1.00 0.00 C ATOM 1102 C LEU A 50 -8.779 7.630 0.099 1.00 0.00 C ATOM 1103 O LEU A 50 -7.982 8.227 0.824 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.319 5.601 -0.079 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.553 4.099 -0.256 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.458 3.710 -1.724 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.563 3.304 0.574 1.00 0.00 C ATOM 0 H LEU A 50 -6.689 6.892 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.179 5.912 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.311 5.839 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.360 5.837 0.984 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.559 3.865 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.627 2.638 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.212 4.254 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.467 3.959 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.745 2.238 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.548 3.543 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.684 3.559 1.627 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.075 7.917 0.059 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.651 8.974 0.884 1.00 0.00 C ATOM 1121 C GLU A 51 -11.118 8.427 2.228 1.00 0.00 C ATOM 1122 O GLU A 51 -11.346 7.227 2.376 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.824 9.634 0.157 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.535 9.952 -1.302 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.579 9.381 -2.242 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.784 9.593 -1.991 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -12.191 8.722 -3.230 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.747 7.433 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.876 9.719 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.691 8.976 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.090 10.555 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.487 11.033 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.555 9.556 -1.569 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.259 9.316 3.206 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.700 8.924 4.539 1.00 0.00 C ATOM 1136 C ASP A 52 -13.122 8.375 4.500 1.00 0.00 C ATOM 1137 O ASP A 52 -14.067 9.093 4.172 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.627 10.116 5.495 1.00 0.00 C ATOM 1139 CG ASP A 52 -10.219 10.370 5.996 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.260 10.024 5.274 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -10.075 10.916 7.110 1.00 0.00 O1- ATOM 0 H ASP A 52 -11.074 10.313 3.100 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.035 8.139 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.996 11.008 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.285 9.937 6.345 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.267 7.098 4.838 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.577 6.473 4.836 1.00 0.00 C ATOM 1148 C GLY A 53 -14.699 5.375 3.796 1.00 0.00 C ATOM 1149 O GLY A 53 -15.806 4.950 3.463 1.00 0.00 O ATOM 0 H GLY A 53 -12.500 6.484 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.778 6.057 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.337 7.232 4.649 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.563 4.912 3.282 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.554 3.857 2.276 1.00 0.00 C ATOM 1155 C ARG A 54 -12.995 2.561 2.854 1.00 0.00 C ATOM 1156 O ARG A 54 -11.938 2.557 3.486 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.729 4.285 1.061 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.195 5.593 0.443 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.062 5.354 -0.784 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.248 6.206 -0.788 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.322 5.975 -1.541 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -16.363 4.923 -2.349 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -17.361 6.799 -1.483 1.00 0.00 N ATOM 0 H ARG A 54 -12.638 5.251 3.546 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.583 3.681 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.685 4.384 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.773 3.500 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.757 6.165 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.329 6.194 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.477 5.542 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.367 4.308 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.254 7.025 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.569 4.285 -2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.189 4.752 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.336 7.608 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.184 6.623 -2.059 1.00 0.00 H new ATOM 1177 N THR A 55 -13.710 1.464 2.635 1.00 0.00 N ATOM 1178 CA THR A 55 -13.287 0.161 3.135 1.00 0.00 C ATOM 1179 C THR A 55 -12.512 -0.610 2.073 1.00 0.00 C ATOM 1180 O THR A 55 -12.756 -0.455 0.876 1.00 0.00 O ATOM 1181 CB THR A 55 -14.501 -0.652 3.588 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.556 -0.540 2.651 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.038 -0.226 4.937 1.00 0.00 C ATOM 0 H THR A 55 -14.587 1.451 2.114 1.00 0.00 H new ATOM 0 HA THR A 55 -12.628 0.326 3.987 1.00 0.00 H new ATOM 0 HB THR A 55 -14.148 -1.680 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.323 -1.068 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.898 -0.843 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.262 -0.348 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.342 0.820 4.894 1.00 0.00 H new ATOM 1191 N LEU A 56 -11.579 -1.444 2.520 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.765 -2.244 1.613 1.00 0.00 C ATOM 1193 C LEU A 56 -11.640 -3.129 0.731 1.00 0.00 C ATOM 1194 O LEU A 56 -11.285 -3.430 -0.409 1.00 0.00 O ATOM 1195 CB LEU A 56 -9.781 -3.105 2.408 1.00 0.00 C ATOM 1196 CG LEU A 56 -8.666 -2.323 3.106 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -9.081 -1.934 4.508 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -7.385 -3.133 3.168 1.00 0.00 C ATOM 0 H LEU A 56 -11.368 -1.583 3.508 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.206 -1.565 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.336 -3.668 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.329 -3.832 1.734 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.485 -1.421 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.274 -1.379 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.973 -1.310 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.295 -2.833 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.611 -2.552 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.563 -4.054 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.059 -3.376 2.157 1.00 0.00 H new ATOM 1210 N SER A 57 -12.786 -3.538 1.263 1.00 0.00 N ATOM 1211 CA SER A 57 -13.714 -4.385 0.522 1.00 0.00 C ATOM 1212 C SER A 57 -14.168 -3.697 -0.761 1.00 0.00 C ATOM 1213 O SER A 57 -14.470 -4.354 -1.757 1.00 0.00 O ATOM 1214 CB SER A 57 -14.928 -4.729 1.388 1.00 0.00 C ATOM 1215 OG SER A 57 -15.980 -5.260 0.602 1.00 0.00 O ATOM 0 H SER A 57 -13.095 -3.297 2.205 1.00 0.00 H new ATOM 0 HA SER A 57 -13.195 -5.306 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.641 -5.451 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.273 -3.835 1.908 1.00 0.00 H new ATOM 0 HG SER A 57 -16.743 -5.473 1.178 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.212 -2.368 -0.730 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.627 -1.589 -1.890 1.00 0.00 C ATOM 1223 C ASP A 58 -13.450 -1.352 -2.832 1.00 0.00 C ATOM 1224 O ASP A 58 -13.563 -1.547 -4.042 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.218 -0.249 -1.446 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.708 -0.336 -1.181 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -17.418 -0.981 -1.982 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -17.166 0.243 -0.174 1.00 0.00 O ATOM 0 H ASP A 58 -13.965 -1.809 0.087 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.390 -2.155 -2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.710 0.088 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.031 0.500 -2.215 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.323 -0.931 -2.269 1.00 0.00 N ATOM 1234 CA TYR A 59 -11.125 -0.671 -3.059 1.00 0.00 C ATOM 1235 C TYR A 59 -10.474 -1.972 -3.525 1.00 0.00 C ATOM 1236 O TYR A 59 -9.583 -1.961 -4.374 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.123 0.153 -2.248 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.357 1.644 -2.334 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.517 2.271 -3.563 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.418 2.425 -1.186 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.732 3.634 -3.647 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.634 3.788 -1.262 1.00 0.00 C ATOM 1243 CZ TYR A 59 -10.789 4.388 -2.494 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.003 5.744 -2.573 1.00 0.00 O ATOM 0 H TYR A 59 -12.214 -0.762 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.424 -0.105 -3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.173 -0.155 -1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.115 -0.069 -2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.473 1.684 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.295 1.959 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.855 4.106 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.681 4.381 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.251 6.167 -3.037 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.926 -3.096 -2.967 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.387 -4.403 -3.330 1.00 0.00 C ATOM 1256 C ASN A 60 -8.952 -4.563 -2.838 1.00 0.00 C ATOM 1257 O ASN A 60 -8.094 -5.081 -3.554 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.446 -4.604 -4.847 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.314 -6.061 -5.243 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -9.206 -6.577 -5.395 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.446 -6.734 -5.412 1.00 0.00 N ATOM 0 H ASN A 60 -11.663 -3.125 -2.263 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.001 -5.163 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.389 -4.211 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.649 -4.029 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.419 -7.718 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.342 -6.267 -5.276 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.697 -4.119 -1.612 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.365 -4.219 -1.028 1.00 0.00 C ATOM 1270 C ILE A 61 -7.167 -5.573 -0.354 1.00 0.00 C ATOM 1271 O ILE A 61 -7.619 -5.791 0.770 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.109 -3.100 0.002 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.434 -1.733 -0.602 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.666 -3.142 0.480 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.461 -0.618 0.420 1.00 0.00 C ATOM 0 H ILE A 61 -9.394 -3.687 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.652 -4.111 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.762 -3.261 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.695 -1.497 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.403 -1.784 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.500 -2.347 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.465 -4.107 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.997 -3.003 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.697 0.324 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.220 -0.833 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.485 -0.541 0.900 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.491 -6.481 -1.051 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.234 -7.818 -0.523 1.00 0.00 C ATOM 1289 C GLN A 62 -5.207 -7.773 0.603 1.00 0.00 C ATOM 1290 O GLN A 62 -4.758 -6.700 1.006 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.745 -8.742 -1.639 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.865 -9.493 -2.342 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.382 -10.663 -1.529 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -8.517 -10.650 -1.053 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -6.549 -11.683 -1.365 1.00 0.00 N ATOM 0 H GLN A 62 -6.111 -6.316 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.169 -8.208 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.197 -8.152 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.042 -9.463 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.686 -8.806 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.506 -9.855 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.617 -11.651 -1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.841 -12.499 -0.827 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.840 -8.947 1.108 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.865 -9.045 2.189 1.00 0.00 C ATOM 1306 C LYS A 63 -2.462 -8.721 1.688 1.00 0.00 C ATOM 1307 O LYS A 63 -2.136 -8.959 0.525 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.891 -10.446 2.803 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.444 -11.539 1.846 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.233 -12.821 2.054 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.065 -13.356 3.467 1.00 0.00 C ATOM 1312 NZ LYS A 63 -4.244 -14.832 3.528 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.203 -9.844 0.786 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.134 -8.317 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.248 -10.460 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.903 -10.665 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.568 -11.197 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.382 -11.737 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.289 -12.635 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.903 -13.573 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.074 -13.095 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.789 -12.875 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.121 -15.156 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.199 -15.080 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.537 -15.293 2.920 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.634 -8.176 2.575 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.262 -7.814 2.227 1.00 0.00 C ATOM 1328 C GLU A 64 -0.226 -6.925 0.988 1.00 0.00 C ATOM 1329 O GLU A 64 0.772 -6.889 0.268 1.00 0.00 O ATOM 1330 CB GLU A 64 0.576 -9.072 1.993 1.00 0.00 C ATOM 1331 CG GLU A 64 0.933 -9.813 3.271 1.00 0.00 C ATOM 1332 CD GLU A 64 1.830 -11.009 3.021 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.066 -10.837 3.034 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.294 -12.118 2.811 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.889 -7.975 3.542 1.00 0.00 H new ATOM 0 HA GLU A 64 0.160 -7.254 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.028 -9.745 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.494 -8.795 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.431 -9.128 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.018 -10.146 3.761 1.00 0.00 H new ATOM 1341 N SER A 65 -1.319 -6.208 0.745 1.00 0.00 N ATOM 1342 CA SER A 65 -1.408 -5.317 -0.407 1.00 0.00 C ATOM 1343 C SER A 65 -0.548 -4.076 -0.197 1.00 0.00 C ATOM 1344 O SER A 65 -0.385 -3.606 0.928 1.00 0.00 O ATOM 1345 CB SER A 65 -2.862 -4.910 -0.654 1.00 0.00 C ATOM 1346 OG SER A 65 -3.630 -6.012 -1.105 1.00 0.00 O ATOM 0 H SER A 65 -2.155 -6.226 1.330 1.00 0.00 H new ATOM 0 HA SER A 65 -1.037 -5.853 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.293 -4.514 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.899 -4.110 -1.394 1.00 0.00 H new ATOM 0 HG SER A 65 -4.130 -5.756 -1.908 1.00 0.00 H new ATOM 1352 N THR A 66 0.001 -3.551 -1.286 1.00 0.00 N ATOM 1353 CA THR A 66 0.847 -2.366 -1.215 1.00 0.00 C ATOM 1354 C THR A 66 0.018 -1.094 -1.360 1.00 0.00 C ATOM 1355 O THR A 66 -0.414 -0.745 -2.459 1.00 0.00 O ATOM 1356 CB THR A 66 1.932 -2.415 -2.293 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.703 -3.487 -3.191 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.324 -2.581 -1.725 1.00 0.00 C ATOM 0 H THR A 66 -0.124 -3.926 -2.226 1.00 0.00 H new ATOM 0 HA THR A 66 1.326 -2.353 -0.236 1.00 0.00 H new ATOM 0 HB THR A 66 1.875 -1.455 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.407 -3.499 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.048 -2.609 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.551 -1.743 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.378 -3.511 -1.160 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.199 -0.403 -0.245 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.973 0.832 -0.250 1.00 0.00 C ATOM 1368 C LEU A 67 -0.059 2.044 -0.393 1.00 0.00 C ATOM 1369 O LEU A 67 0.814 2.277 0.442 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.801 0.949 1.036 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.138 0.210 1.026 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.970 0.597 2.238 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.904 0.490 -0.259 1.00 0.00 C ATOM 0 H LEU A 67 0.151 -0.678 0.673 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.648 0.805 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.204 0.573 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.990 2.005 1.231 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.935 -0.860 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.919 0.061 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.429 0.338 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.159 1.670 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.852 -0.047 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.095 1.560 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.314 0.158 -1.114 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.263 2.811 -1.460 1.00 0.00 N ATOM 1386 CA HIS A 68 0.547 3.997 -1.713 1.00 0.00 C ATOM 1387 C HIS A 68 0.218 5.104 -0.718 1.00 0.00 C ATOM 1388 O HIS A 68 -0.918 5.573 -0.647 1.00 0.00 O ATOM 1389 CB HIS A 68 0.323 4.497 -3.142 1.00 0.00 C ATOM 1390 CG HIS A 68 0.871 3.579 -4.190 1.00 0.00 C ATOM 1391 ND1 HIS A 68 0.676 2.215 -4.172 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.611 3.838 -5.295 1.00 0.00 C ATOM 1393 CE1 HIS A 68 1.274 1.673 -5.219 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.847 2.636 -5.916 1.00 0.00 N ATOM 0 H HIS A 68 -0.981 2.632 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 68 1.595 3.723 -1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.746 4.628 -3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.786 5.478 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.952 4.808 -5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.291 0.621 -5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.379 2.508 -6.777 1.00 0.00 H new ATOM 1403 N LEU A 69 1.222 5.520 0.048 1.00 0.00 N ATOM 1404 CA LEU A 69 1.041 6.575 1.039 1.00 0.00 C ATOM 1405 C LEU A 69 1.771 7.847 0.617 1.00 0.00 C ATOM 1406 O LEU A 69 2.768 7.793 -0.102 1.00 0.00 O ATOM 1407 CB LEU A 69 1.549 6.116 2.407 1.00 0.00 C ATOM 1408 CG LEU A 69 0.901 6.808 3.603 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.761 5.845 4.773 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.720 8.017 4.004 1.00 0.00 C ATOM 0 H LEU A 69 2.169 5.143 0.001 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.025 6.791 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.386 5.042 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.626 6.280 2.451 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.098 7.137 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.297 6.360 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.139 5.000 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.747 5.484 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.252 8.506 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.727 7.701 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.771 8.715 3.169 1.00 0.00 H new ATOM 1422 N VAL A 70 1.268 8.988 1.073 1.00 0.00 N ATOM 1423 CA VAL A 70 1.872 10.274 0.749 1.00 0.00 C ATOM 1424 C VAL A 70 1.913 11.180 1.974 1.00 0.00 C ATOM 1425 O VAL A 70 0.941 11.871 2.280 1.00 0.00 O ATOM 1426 CB VAL A 70 1.104 10.985 -0.380 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.840 12.242 -0.820 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.889 10.044 -1.556 1.00 0.00 C ATOM 0 H VAL A 70 0.442 9.048 1.669 1.00 0.00 H new ATOM 0 HA VAL A 70 2.890 10.075 0.413 1.00 0.00 H new ATOM 0 HB VAL A 70 0.127 11.280 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.281 12.730 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.934 12.923 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.832 11.974 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.345 10.565 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.855 9.714 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.314 9.178 -1.229 1.00 0.00 H new ATOM 1438 N LEU A 71 3.043 11.171 2.673 1.00 0.00 N ATOM 1439 CA LEU A 71 3.211 11.990 3.866 1.00 0.00 C ATOM 1440 C LEU A 71 3.362 13.463 3.499 1.00 0.00 C ATOM 1441 O LEU A 71 4.233 13.831 2.712 1.00 0.00 O ATOM 1442 CB LEU A 71 4.431 11.524 4.664 1.00 0.00 C ATOM 1443 CG LEU A 71 4.522 10.012 4.883 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.908 9.627 5.375 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.458 9.553 5.868 1.00 0.00 C ATOM 0 H LEU A 71 3.857 10.605 2.433 1.00 0.00 H new ATOM 0 HA LEU A 71 2.318 11.877 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.332 11.856 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.420 12.017 5.636 1.00 0.00 H new ATOM 0 HG LEU A 71 4.346 9.514 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.954 8.548 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.652 9.922 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.113 10.134 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.537 8.475 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.603 10.059 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.470 9.795 5.476 1.00 0.00 H new ATOM 1457 N ARG A 72 2.507 14.302 4.076 1.00 0.00 N ATOM 1458 CA ARG A 72 2.545 15.736 3.810 1.00 0.00 C ATOM 1459 C ARG A 72 3.406 16.457 4.844 1.00 0.00 C ATOM 1460 O ARG A 72 2.998 17.475 5.406 1.00 0.00 O ATOM 1461 CB ARG A 72 1.128 16.313 3.813 1.00 0.00 C ATOM 1462 CG ARG A 72 1.062 17.764 3.363 1.00 0.00 C ATOM 1463 CD ARG A 72 0.050 18.555 4.176 1.00 0.00 C ATOM 1464 NE ARG A 72 -0.609 19.585 3.378 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.312 20.589 3.898 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -1.451 20.700 5.214 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -1.878 21.484 3.100 1.00 0.00 N ATOM 0 H ARG A 72 1.780 14.014 4.730 1.00 0.00 H new ATOM 0 HA ARG A 72 2.988 15.888 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.497 15.710 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.714 16.234 4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.046 18.221 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.795 17.807 2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.700 17.876 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.551 19.020 5.025 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.526 19.532 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.018 20.014 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.991 21.471 5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.775 21.403 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.417 22.253 3.498 1.00 0.00 H new