USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 32 SER OG : rot 175:sc= 1.23 USER MOD Set 1.2: A 51 TYR OH : rot 90:sc=-0.00439 USER MOD Set 1.3: A 55 GLN : amide:sc= 0.993 K(o=2.2,f=1.1) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 53 GLN : amide:sc= -0.463 K(o=-0.46,f=0.32) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 1 USER MOD Set 3.2: A 37 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.24) USER MOD Single : A 29 GLN : amide:sc= 0.894 K(o=0.89,f=-5.3!) USER MOD Single : A 31 SER OG : rot -54:sc= 0.744 USER MOD Single : A 35 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 166:sc= -0.118 (180deg=-0.488) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.18) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0.919 (180deg=-0.588) USER MOD Single : A 52 CYS SG : rot 72:sc= -1.38 USER MOD Single : A 59 MET CE :methyl 175:sc=-0.00535 (180deg=-0.0541) USER MOD Single : A 60 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 61 SER OG : rot -100:sc= 1.28 USER MOD Single : A 69 GLN : amide:sc= -0.034 K(o=-0.034,f=-2.7) USER MOD Single : A 74 ASN : amide:sc= -0.349 K(o=-0.35,f=-2.3!) USER MOD Single : A 75 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-1.3) USER MOD Single : A 76 THR OG1 : rot -99:sc= 0.562 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -124:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 1.15 K(o=1.2,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 79.866 9.525 -11.930 1.00 0.00 N ATOM 291 CA TYR A 21 79.480 8.122 -11.801 1.00 0.00 C ATOM 292 C TYR A 21 78.208 7.975 -10.960 1.00 0.00 C ATOM 293 O TYR A 21 77.912 8.822 -10.117 1.00 0.00 O ATOM 294 CB TYR A 21 80.630 7.303 -11.178 1.00 0.00 C ATOM 295 CG TYR A 21 81.377 8.003 -10.057 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.720 8.423 -8.908 1.00 0.00 C ATOM 297 CD2 TYR A 21 82.745 8.228 -10.148 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.403 9.047 -7.882 1.00 0.00 C ATOM 299 CE2 TYR A 21 83.435 8.853 -9.127 1.00 0.00 C ATOM 300 CZ TYR A 21 82.757 9.260 -7.995 1.00 0.00 C ATOM 301 OH TYR A 21 83.441 9.878 -6.973 1.00 0.00 O ATOM 0 HA TYR A 21 79.273 7.737 -12.799 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.224 6.366 -10.796 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.341 7.045 -11.963 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.657 8.259 -8.815 1.00 0.00 H new ATOM 0 HD2 TYR A 21 83.278 7.909 -11.032 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.876 9.366 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 21 84.498 9.022 -9.214 1.00 0.00 H new ATOM 0 HH TYR A 21 84.389 9.951 -7.211 1.00 0.00 H new ATOM 311 N ILE A 22 77.451 6.908 -11.204 1.00 0.00 N ATOM 312 CA ILE A 22 76.228 6.654 -10.452 1.00 0.00 C ATOM 313 C ILE A 22 76.514 5.739 -9.254 1.00 0.00 C ATOM 314 O ILE A 22 77.483 4.974 -9.259 1.00 0.00 O ATOM 315 CB ILE A 22 75.125 6.039 -11.356 1.00 0.00 C ATOM 316 CG1 ILE A 22 73.737 6.328 -10.778 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.327 4.541 -11.537 1.00 0.00 C ATOM 318 CD1 ILE A 22 72.939 7.328 -11.590 1.00 0.00 C ATOM 0 H ILE A 22 77.663 6.208 -11.915 1.00 0.00 H new ATOM 0 HA ILE A 22 75.860 7.611 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 22 75.199 6.506 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 22 73.177 5.395 -10.714 1.00 0.00 H new ATOM 0 HG13 ILE A 22 73.847 6.704 -9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.538 4.142 -12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 22 76.296 4.358 -12.001 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.291 4.049 -10.565 1.00 0.00 H new ATOM 0 HD11 ILE A 22 71.967 7.484 -11.122 1.00 0.00 H new ATOM 0 HD12 ILE A 22 73.478 8.275 -11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 22 72.797 6.946 -12.601 1.00 0.00 H new ATOM 330 N LYS A 23 75.681 5.830 -8.222 1.00 0.00 N ATOM 331 CA LYS A 23 75.858 5.016 -7.022 1.00 0.00 C ATOM 332 C LYS A 23 75.171 3.656 -7.156 1.00 0.00 C ATOM 333 O LYS A 23 73.962 3.537 -6.968 1.00 0.00 O ATOM 334 CB LYS A 23 75.315 5.753 -5.792 1.00 0.00 C ATOM 335 CG LYS A 23 75.732 7.215 -5.713 1.00 0.00 C ATOM 336 CD LYS A 23 74.805 8.006 -4.803 1.00 0.00 C ATOM 337 CE LYS A 23 75.192 9.477 -4.755 1.00 0.00 C ATOM 338 NZ LYS A 23 74.405 10.226 -3.741 1.00 0.00 N ATOM 0 H LYS A 23 74.878 6.458 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 23 76.927 4.844 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 23 74.227 5.696 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 23 75.656 5.239 -4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 23 76.755 7.284 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 75.725 7.652 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 23 73.778 7.910 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 23 74.837 7.587 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 23 76.254 9.565 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 23 75.038 9.925 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 74.699 11.223 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 73.393 10.164 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 74.571 9.816 -2.800 1.00 0.00 H new ATOM 352 N LEU A 24 75.956 2.629 -7.471 1.00 0.00 N ATOM 353 CA LEU A 24 75.432 1.274 -7.618 1.00 0.00 C ATOM 354 C LEU A 24 75.259 0.620 -6.248 1.00 0.00 C ATOM 355 O LEU A 24 76.232 0.429 -5.518 1.00 0.00 O ATOM 356 CB LEU A 24 76.372 0.429 -8.484 1.00 0.00 C ATOM 357 CG LEU A 24 75.735 -0.208 -9.722 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.612 -1.154 -9.325 1.00 0.00 C ATOM 359 CD2 LEU A 24 75.225 0.861 -10.674 1.00 0.00 C ATOM 0 H LEU A 24 76.960 2.710 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 24 74.460 1.332 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.203 1.057 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.793 -0.363 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 24 76.501 -0.787 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.174 -1.595 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.010 -1.944 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 24 73.846 -0.601 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 24 74.776 0.387 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.477 1.472 -10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.055 1.492 -10.991 1.00 0.00 H new ATOM 371 N LYS A 25 74.024 0.276 -5.902 1.00 0.00 N ATOM 372 CA LYS A 25 73.744 -0.337 -4.608 1.00 0.00 C ATOM 373 C LYS A 25 73.288 -1.791 -4.744 1.00 0.00 C ATOM 374 O LYS A 25 72.266 -2.083 -5.364 1.00 0.00 O ATOM 375 CB LYS A 25 72.682 0.475 -3.864 1.00 0.00 C ATOM 376 CG LYS A 25 72.625 0.185 -2.372 1.00 0.00 C ATOM 377 CD LYS A 25 71.234 0.427 -1.805 1.00 0.00 C ATOM 378 CE LYS A 25 71.015 1.893 -1.463 1.00 0.00 C ATOM 379 NZ LYS A 25 70.776 2.093 -0.007 1.00 0.00 N ATOM 0 H LYS A 25 73.205 0.410 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 25 74.674 -0.338 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.880 1.537 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.706 0.269 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.917 -0.849 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.345 0.816 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.485 0.106 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.094 -0.180 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 25 71.886 2.472 -1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 25 70.163 2.274 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 70.665 3.108 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.911 1.589 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.585 1.722 0.532 1.00 0.00 H new ATOM 393 N VAL A 26 74.061 -2.698 -4.158 1.00 0.00 N ATOM 394 CA VAL A 26 73.734 -4.120 -4.187 1.00 0.00 C ATOM 395 C VAL A 26 73.559 -4.652 -2.761 1.00 0.00 C ATOM 396 O VAL A 26 74.438 -4.481 -1.912 1.00 0.00 O ATOM 397 CB VAL A 26 74.818 -4.948 -4.918 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.412 -6.411 -5.004 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.080 -4.391 -6.311 1.00 0.00 C ATOM 0 H VAL A 26 74.920 -2.474 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 26 72.800 -4.226 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 26 75.739 -4.877 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.188 -6.974 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.282 -6.812 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.474 -6.497 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.846 -4.990 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.160 -4.425 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.422 -3.359 -6.232 1.00 0.00 H new ATOM 409 N ILE A 27 72.418 -5.286 -2.500 1.00 0.00 N ATOM 410 CA ILE A 27 72.128 -5.824 -1.170 1.00 0.00 C ATOM 411 C ILE A 27 72.229 -7.352 -1.148 1.00 0.00 C ATOM 412 O ILE A 27 71.581 -8.041 -1.938 1.00 0.00 O ATOM 413 CB ILE A 27 70.719 -5.402 -0.676 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.588 -3.874 -0.610 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.421 -6.011 0.689 1.00 0.00 C ATOM 416 CD1 ILE A 27 69.159 -3.388 -0.722 1.00 0.00 C ATOM 0 H ILE A 27 71.681 -5.440 -3.188 1.00 0.00 H new ATOM 0 HA ILE A 27 72.879 -5.407 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 27 69.991 -5.778 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 27 71.011 -3.521 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 27 71.179 -3.431 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 27 69.428 -5.702 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.458 -7.098 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 27 71.163 -5.669 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 27 69.140 -2.300 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.738 -3.712 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 27 68.569 -3.802 0.095 1.00 0.00 H new ATOM 428 N GLY A 28 73.049 -7.872 -0.238 1.00 0.00 N ATOM 429 CA GLY A 28 73.214 -9.311 -0.115 1.00 0.00 C ATOM 430 C GLY A 28 72.294 -9.908 0.937 1.00 0.00 C ATOM 431 O GLY A 28 71.786 -9.193 1.804 1.00 0.00 O ATOM 0 H GLY A 28 73.603 -7.321 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.015 -9.781 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.249 -9.535 0.141 1.00 0.00 H new ATOM 435 N GLN A 29 72.092 -11.222 0.884 1.00 0.00 N ATOM 436 CA GLN A 29 71.209 -11.902 1.844 1.00 0.00 C ATOM 437 C GLN A 29 71.867 -12.066 3.218 1.00 0.00 C ATOM 438 O GLN A 29 71.235 -12.534 4.164 1.00 0.00 O ATOM 439 CB GLN A 29 70.773 -13.270 1.309 1.00 0.00 C ATOM 440 CG GLN A 29 70.291 -13.228 -0.131 1.00 0.00 C ATOM 441 CD GLN A 29 68.992 -13.982 -0.334 1.00 0.00 C ATOM 442 OE1 GLN A 29 68.990 -15.146 -0.727 1.00 0.00 O ATOM 443 NE2 GLN A 29 67.876 -13.325 -0.067 1.00 0.00 N ATOM 0 H GLN A 29 72.521 -11.838 0.194 1.00 0.00 H new ATOM 0 HA GLN A 29 70.331 -11.268 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.609 -13.965 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 29 69.975 -13.662 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 29 70.155 -12.190 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 29 71.058 -13.652 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 29 67.918 -12.359 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 29 66.973 -13.784 -0.186 1.00 0.00 H new ATOM 452 N ASP A 30 73.132 -11.674 3.327 1.00 0.00 N ATOM 453 CA ASP A 30 73.855 -11.771 4.592 1.00 0.00 C ATOM 454 C ASP A 30 73.872 -10.419 5.319 1.00 0.00 C ATOM 455 O ASP A 30 74.778 -10.140 6.106 1.00 0.00 O ATOM 456 CB ASP A 30 75.287 -12.260 4.352 1.00 0.00 C ATOM 457 CG ASP A 30 75.436 -13.747 4.604 1.00 0.00 C ATOM 458 OD1 ASP A 30 75.101 -14.540 3.697 1.00 0.00 O ATOM 459 OD2 ASP A 30 75.888 -14.121 5.706 1.00 0.00 O ATOM 0 H ASP A 30 73.678 -11.287 2.557 1.00 0.00 H new ATOM 0 HA ASP A 30 73.337 -12.493 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.578 -12.037 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.969 -11.713 5.003 1.00 0.00 H new ATOM 464 N SER A 31 72.859 -9.590 5.038 1.00 0.00 N ATOM 465 CA SER A 31 72.725 -8.257 5.644 1.00 0.00 C ATOM 466 C SER A 31 73.896 -7.347 5.266 1.00 0.00 C ATOM 467 O SER A 31 74.376 -6.553 6.079 1.00 0.00 O ATOM 468 CB SER A 31 72.606 -8.363 7.172 1.00 0.00 C ATOM 469 OG SER A 31 72.366 -7.094 7.754 1.00 0.00 O ATOM 0 H SER A 31 72.110 -9.823 4.386 1.00 0.00 H new ATOM 0 HA SER A 31 71.812 -7.810 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 31 71.795 -9.044 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 73.522 -8.788 7.583 1.00 0.00 H new ATOM 0 HG SER A 31 73.058 -6.464 7.462 1.00 0.00 H new ATOM 475 N SER A 32 74.340 -7.453 4.017 1.00 0.00 N ATOM 476 CA SER A 32 75.457 -6.649 3.528 1.00 0.00 C ATOM 477 C SER A 32 75.013 -5.676 2.435 1.00 0.00 C ATOM 478 O SER A 32 74.293 -6.048 1.506 1.00 0.00 O ATOM 479 CB SER A 32 76.569 -7.554 2.994 1.00 0.00 C ATOM 480 OG SER A 32 76.035 -8.638 2.249 1.00 0.00 O ATOM 0 H SER A 32 73.944 -8.088 3.324 1.00 0.00 H new ATOM 0 HA SER A 32 75.835 -6.066 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 32 77.243 -6.973 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 32 77.161 -7.937 3.826 1.00 0.00 H new ATOM 0 HG SER A 32 76.767 -9.155 1.854 1.00 0.00 H new ATOM 486 N GLU A 33 75.449 -4.427 2.558 1.00 0.00 N ATOM 487 CA GLU A 33 75.114 -3.392 1.582 1.00 0.00 C ATOM 488 C GLU A 33 76.386 -2.795 0.981 1.00 0.00 C ATOM 489 O GLU A 33 77.182 -2.166 1.681 1.00 0.00 O ATOM 490 CB GLU A 33 74.268 -2.294 2.245 1.00 0.00 C ATOM 491 CG GLU A 33 74.186 -1.001 1.442 1.00 0.00 C ATOM 492 CD GLU A 33 73.413 0.089 2.161 1.00 0.00 C ATOM 493 OE1 GLU A 33 73.630 0.269 3.378 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.590 0.767 1.506 1.00 0.00 O ATOM 0 H GLU A 33 76.037 -4.104 3.326 1.00 0.00 H new ATOM 0 HA GLU A 33 74.532 -3.844 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.259 -2.674 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.685 -2.073 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 75.194 -0.646 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.711 -1.204 0.482 1.00 0.00 H new ATOM 501 N ILE A 34 76.583 -3.003 -0.319 1.00 0.00 N ATOM 502 CA ILE A 34 77.769 -2.483 -0.996 1.00 0.00 C ATOM 503 C ILE A 34 77.411 -1.370 -1.981 1.00 0.00 C ATOM 504 O ILE A 34 76.442 -1.478 -2.737 1.00 0.00 O ATOM 505 CB ILE A 34 78.542 -3.588 -1.756 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.194 -4.987 -1.219 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.040 -3.332 -1.675 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.967 -5.392 0.023 1.00 0.00 C ATOM 0 H ILE A 34 75.944 -3.523 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 34 78.409 -2.083 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 34 78.239 -3.556 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 34 77.128 -5.022 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.380 -5.721 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.573 -4.116 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.269 -2.365 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.353 -3.332 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.660 -6.391 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 34 80.035 -5.393 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.763 -4.684 0.826 1.00 0.00 H new ATOM 520 N HIS A 35 78.199 -0.298 -1.960 1.00 0.00 N ATOM 521 CA HIS A 35 77.984 0.839 -2.853 1.00 0.00 C ATOM 522 C HIS A 35 79.174 1.019 -3.793 1.00 0.00 C ATOM 523 O HIS A 35 80.290 1.295 -3.353 1.00 0.00 O ATOM 524 CB HIS A 35 77.759 2.118 -2.042 1.00 0.00 C ATOM 525 CG HIS A 35 76.397 2.719 -2.230 1.00 0.00 C ATOM 526 ND1 HIS A 35 75.664 3.258 -1.195 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.637 2.869 -3.340 1.00 0.00 C ATOM 528 CE1 HIS A 35 74.513 3.713 -1.658 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.472 3.489 -2.958 1.00 0.00 N ATOM 0 H HIS A 35 78.996 -0.192 -1.332 1.00 0.00 H new ATOM 0 HA HIS A 35 77.095 0.639 -3.452 1.00 0.00 H new ATOM 0 HB2 HIS A 35 77.907 1.898 -0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.513 2.853 -2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.898 2.559 -4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 35 73.739 4.187 -1.073 1.00 0.00 H new ATOM 0 HE2 HIS A 35 73.701 3.736 -3.578 1.00 0.00 H new ATOM 537 N PHE A 36 78.930 0.860 -5.089 1.00 0.00 N ATOM 538 CA PHE A 36 79.987 0.995 -6.093 1.00 0.00 C ATOM 539 C PHE A 36 79.829 2.275 -6.913 1.00 0.00 C ATOM 540 O PHE A 36 78.713 2.733 -7.163 1.00 0.00 O ATOM 541 CB PHE A 36 79.988 -0.220 -7.025 1.00 0.00 C ATOM 542 CG PHE A 36 80.386 -1.503 -6.350 1.00 0.00 C ATOM 543 CD1 PHE A 36 79.448 -2.493 -6.112 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.695 -1.714 -5.954 1.00 0.00 C ATOM 545 CE1 PHE A 36 79.809 -3.674 -5.492 1.00 0.00 C ATOM 546 CE2 PHE A 36 82.063 -2.893 -5.334 1.00 0.00 C ATOM 547 CZ PHE A 36 81.119 -3.874 -5.102 1.00 0.00 C ATOM 0 H PHE A 36 78.011 0.638 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 36 80.938 1.051 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.992 -0.339 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.670 -0.030 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 36 78.422 -2.341 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.437 -0.949 -6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 36 79.068 -4.439 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 36 83.088 -3.047 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 36 81.404 -4.796 -4.617 1.00 0.00 H new ATOM 557 N LYS A 37 80.956 2.844 -7.331 1.00 0.00 N ATOM 558 CA LYS A 37 80.952 4.066 -8.134 1.00 0.00 C ATOM 559 C LYS A 37 81.333 3.757 -9.583 1.00 0.00 C ATOM 560 O LYS A 37 82.502 3.518 -9.890 1.00 0.00 O ATOM 561 CB LYS A 37 81.925 5.093 -7.545 1.00 0.00 C ATOM 562 CG LYS A 37 81.495 5.640 -6.193 1.00 0.00 C ATOM 563 CD LYS A 37 82.637 6.370 -5.502 1.00 0.00 C ATOM 564 CE LYS A 37 82.122 7.400 -4.507 1.00 0.00 C ATOM 565 NZ LYS A 37 82.947 8.642 -4.513 1.00 0.00 N ATOM 0 H LYS A 37 81.886 2.479 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 37 79.945 4.483 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.908 4.633 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 37 82.031 5.922 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 37 80.653 6.320 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 37 81.149 4.822 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 37 83.271 5.649 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 37 83.259 6.864 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 37 81.088 7.650 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 37 82.122 6.969 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 82.419 9.412 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 83.832 8.473 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.166 8.909 -5.494 1.00 0.00 H new ATOM 579 N VAL A 38 80.342 3.756 -10.470 1.00 0.00 N ATOM 580 CA VAL A 38 80.581 3.460 -11.883 1.00 0.00 C ATOM 581 C VAL A 38 79.552 4.158 -12.784 1.00 0.00 C ATOM 582 O VAL A 38 78.502 4.593 -12.319 1.00 0.00 O ATOM 583 CB VAL A 38 80.556 1.929 -12.129 1.00 0.00 C ATOM 584 CG1 VAL A 38 79.127 1.408 -12.220 1.00 0.00 C ATOM 585 CG2 VAL A 38 81.345 1.560 -13.380 1.00 0.00 C ATOM 0 H VAL A 38 79.369 3.956 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 38 81.568 3.844 -12.139 1.00 0.00 H new ATOM 0 HB VAL A 38 81.035 1.451 -11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.142 0.332 -12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.603 1.618 -11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 38 78.612 1.901 -13.045 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.310 0.481 -13.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.909 2.059 -14.246 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.381 1.877 -13.263 1.00 0.00 H new ATOM 595 N LYS A 39 79.868 4.276 -14.070 1.00 0.00 N ATOM 596 CA LYS A 39 78.961 4.910 -15.026 1.00 0.00 C ATOM 597 C LYS A 39 77.821 3.960 -15.404 1.00 0.00 C ATOM 598 O LYS A 39 77.966 2.741 -15.318 1.00 0.00 O ATOM 599 CB LYS A 39 79.724 5.333 -16.283 1.00 0.00 C ATOM 600 CG LYS A 39 79.811 6.839 -16.464 1.00 0.00 C ATOM 601 CD LYS A 39 81.026 7.233 -17.289 1.00 0.00 C ATOM 602 CE LYS A 39 80.910 8.656 -17.812 1.00 0.00 C ATOM 603 NZ LYS A 39 82.239 9.319 -17.918 1.00 0.00 N ATOM 0 H LYS A 39 80.743 3.942 -14.475 1.00 0.00 H new ATOM 0 HA LYS A 39 78.535 5.795 -14.554 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.733 4.922 -16.241 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.238 4.898 -17.156 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.906 7.200 -16.952 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.861 7.321 -15.488 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.925 7.141 -16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.136 6.545 -18.127 1.00 0.00 H new ATOM 0 HE2 LYS A 39 80.431 8.645 -18.791 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.267 9.235 -17.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.116 10.287 -18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.686 9.353 -16.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.844 8.781 -18.571 1.00 0.00 H new ATOM 617 N MET A 40 76.693 4.523 -15.829 1.00 0.00 N ATOM 618 CA MET A 40 75.533 3.716 -16.211 1.00 0.00 C ATOM 619 C MET A 40 75.753 3.000 -17.552 1.00 0.00 C ATOM 620 O MET A 40 75.105 1.996 -17.839 1.00 0.00 O ATOM 621 CB MET A 40 74.278 4.590 -16.291 1.00 0.00 C ATOM 622 CG MET A 40 73.462 4.601 -15.005 1.00 0.00 C ATOM 623 SD MET A 40 72.085 5.771 -15.057 1.00 0.00 S ATOM 624 CE MET A 40 71.197 5.237 -16.521 1.00 0.00 C ATOM 0 H MET A 40 76.556 5.530 -15.918 1.00 0.00 H new ATOM 0 HA MET A 40 75.398 2.956 -15.441 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.571 5.611 -16.535 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.649 4.235 -17.108 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.075 3.600 -14.818 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.114 4.852 -14.169 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.209 5.697 -16.535 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.750 5.537 -17.411 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.092 4.152 -16.507 1.00 0.00 H new ATOM 634 N THR A 41 76.664 3.521 -18.375 1.00 0.00 N ATOM 635 CA THR A 41 76.958 2.922 -19.678 1.00 0.00 C ATOM 636 C THR A 41 78.001 1.806 -19.571 1.00 0.00 C ATOM 637 O THR A 41 79.049 1.860 -20.219 1.00 0.00 O ATOM 638 CB THR A 41 77.465 3.980 -20.676 1.00 0.00 C ATOM 639 OG1 THR A 41 76.957 5.274 -20.328 1.00 0.00 O ATOM 640 CG2 THR A 41 77.043 3.624 -22.091 1.00 0.00 C ATOM 0 H THR A 41 77.211 4.356 -18.163 1.00 0.00 H new ATOM 0 HA THR A 41 76.021 2.497 -20.039 1.00 0.00 H new ATOM 0 HB THR A 41 78.554 4.001 -20.630 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.287 5.938 -20.968 1.00 0.00 H new ATOM 0 HG21 THR A 41 77.410 4.383 -22.782 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.460 2.654 -22.362 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.955 3.579 -22.146 1.00 0.00 H new ATOM 648 N THR A 42 77.718 0.799 -18.752 1.00 0.00 N ATOM 649 CA THR A 42 78.643 -0.318 -18.566 1.00 0.00 C ATOM 650 C THR A 42 77.918 -1.666 -18.553 1.00 0.00 C ATOM 651 O THR A 42 76.707 -1.728 -18.345 1.00 0.00 O ATOM 652 CB THR A 42 79.464 -0.152 -17.271 1.00 0.00 C ATOM 653 OG1 THR A 42 80.578 -1.054 -17.276 1.00 0.00 O ATOM 654 CG2 THR A 42 78.610 -0.402 -16.033 1.00 0.00 C ATOM 0 H THR A 42 76.859 0.731 -18.207 1.00 0.00 H new ATOM 0 HA THR A 42 79.322 -0.307 -19.419 1.00 0.00 H new ATOM 0 HB THR A 42 79.824 0.876 -17.235 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.095 -0.940 -16.451 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.220 -0.277 -15.139 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.784 0.309 -16.011 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.214 -1.417 -16.063 1.00 0.00 H new ATOM 662 N HIS A 43 78.668 -2.741 -18.795 1.00 0.00 N ATOM 663 CA HIS A 43 78.101 -4.092 -18.809 1.00 0.00 C ATOM 664 C HIS A 43 77.823 -4.587 -17.387 1.00 0.00 C ATOM 665 O HIS A 43 78.549 -4.247 -16.449 1.00 0.00 O ATOM 666 CB HIS A 43 79.049 -5.058 -19.522 1.00 0.00 C ATOM 667 CG HIS A 43 79.081 -4.886 -21.011 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.247 -4.894 -21.745 1.00 0.00 N ATOM 669 CD2 HIS A 43 78.080 -4.702 -21.906 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.965 -4.724 -23.024 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.656 -4.605 -23.149 1.00 0.00 N ATOM 0 H HIS A 43 79.670 -2.704 -18.984 1.00 0.00 H new ATOM 0 HA HIS A 43 77.156 -4.055 -19.350 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.056 -4.921 -19.128 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.752 -6.081 -19.290 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.025 -4.643 -21.683 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.683 -4.688 -23.830 1.00 0.00 H new ATOM 0 HE2 HIS A 43 78.154 -4.464 -24.026 1.00 0.00 H new ATOM 679 N LEU A 44 76.786 -5.411 -17.229 1.00 0.00 N ATOM 680 CA LEU A 44 76.409 -5.919 -15.905 1.00 0.00 C ATOM 681 C LEU A 44 77.413 -6.929 -15.322 1.00 0.00 C ATOM 682 O LEU A 44 77.437 -7.134 -14.106 1.00 0.00 O ATOM 683 CB LEU A 44 75.010 -6.534 -15.955 1.00 0.00 C ATOM 684 CG LEU A 44 73.902 -5.699 -15.299 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.113 -5.604 -13.796 1.00 0.00 C ATOM 686 CD2 LEU A 44 73.840 -4.308 -15.913 1.00 0.00 C ATOM 0 H LEU A 44 76.195 -5.740 -17.993 1.00 0.00 H new ATOM 0 HA LEU A 44 76.416 -5.060 -15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 44 74.744 -6.705 -16.998 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.042 -7.510 -15.470 1.00 0.00 H new ATOM 0 HG LEU A 44 72.951 -6.200 -15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.315 -5.007 -13.354 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.101 -6.604 -13.363 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.074 -5.132 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.048 -3.733 -15.433 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.795 -3.803 -15.766 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.633 -4.390 -16.980 1.00 0.00 H new ATOM 698 N LYS A 45 78.244 -7.557 -16.164 1.00 0.00 N ATOM 699 CA LYS A 45 79.230 -8.522 -15.672 1.00 0.00 C ATOM 700 C LYS A 45 80.231 -7.854 -14.726 1.00 0.00 C ATOM 701 O LYS A 45 80.672 -8.459 -13.750 1.00 0.00 O ATOM 702 CB LYS A 45 79.973 -9.200 -16.832 1.00 0.00 C ATOM 703 CG LYS A 45 80.387 -8.258 -17.954 1.00 0.00 C ATOM 704 CD LYS A 45 81.875 -7.944 -17.902 1.00 0.00 C ATOM 705 CE LYS A 45 82.712 -9.115 -18.389 1.00 0.00 C ATOM 706 NZ LYS A 45 83.890 -9.362 -17.512 1.00 0.00 N ATOM 0 H LYS A 45 78.253 -7.416 -17.174 1.00 0.00 H new ATOM 0 HA LYS A 45 78.686 -9.287 -15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.864 -9.690 -16.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.336 -9.981 -17.247 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.143 -8.708 -18.916 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.816 -7.332 -17.881 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.084 -7.067 -18.515 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.159 -7.693 -16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.094 -10.012 -18.426 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.052 -8.919 -19.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.601 -9.914 -18.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 84.303 -8.453 -17.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 83.590 -9.891 -16.669 1.00 0.00 H new ATOM 720 N LYS A 46 80.575 -6.598 -15.015 1.00 0.00 N ATOM 721 CA LYS A 46 81.509 -5.842 -14.182 1.00 0.00 C ATOM 722 C LYS A 46 80.909 -5.581 -12.801 1.00 0.00 C ATOM 723 O LYS A 46 81.603 -5.644 -11.786 1.00 0.00 O ATOM 724 CB LYS A 46 81.869 -4.516 -14.857 1.00 0.00 C ATOM 725 CG LYS A 46 83.168 -3.907 -14.353 1.00 0.00 C ATOM 726 CD LYS A 46 84.036 -3.416 -15.500 1.00 0.00 C ATOM 727 CE LYS A 46 85.191 -2.564 -14.998 1.00 0.00 C ATOM 728 NZ LYS A 46 86.285 -2.461 -16.003 1.00 0.00 N ATOM 0 H LYS A 46 80.220 -6.083 -15.821 1.00 0.00 H new ATOM 0 HA LYS A 46 82.416 -6.434 -14.060 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.946 -4.675 -15.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 81.058 -3.805 -14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 46 82.946 -3.077 -13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.717 -4.648 -13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.426 -4.270 -16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.429 -2.835 -16.195 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.827 -1.566 -14.755 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.584 -2.993 -14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 87.053 -1.872 -15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.651 -3.411 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.917 -2.028 -16.874 1.00 0.00 H new ATOM 742 N LEU A 47 79.606 -5.300 -12.772 1.00 0.00 N ATOM 743 CA LEU A 47 78.897 -5.039 -11.522 1.00 0.00 C ATOM 744 C LEU A 47 78.786 -6.313 -10.681 1.00 0.00 C ATOM 745 O LEU A 47 79.034 -6.298 -9.475 1.00 0.00 O ATOM 746 CB LEU A 47 77.498 -4.481 -11.815 1.00 0.00 C ATOM 747 CG LEU A 47 77.469 -3.121 -12.522 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.050 -2.573 -12.573 1.00 0.00 C ATOM 749 CD2 LEU A 47 78.391 -2.136 -11.822 1.00 0.00 C ATOM 0 H LEU A 47 79.019 -5.248 -13.605 1.00 0.00 H new ATOM 0 HA LEU A 47 79.465 -4.301 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 47 76.959 -5.202 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.955 -4.394 -10.874 1.00 0.00 H new ATOM 0 HG LEU A 47 77.822 -3.260 -13.544 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.051 -1.607 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 47 75.411 -3.268 -13.118 1.00 0.00 H new ATOM 0 HD13 LEU A 47 75.670 -2.451 -11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 47 78.357 -1.176 -12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 47 78.067 -2.005 -10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 47 79.411 -2.520 -11.836 1.00 0.00 H new ATOM 761 N LYS A 48 78.423 -7.417 -11.334 1.00 0.00 N ATOM 762 CA LYS A 48 78.280 -8.709 -10.663 1.00 0.00 C ATOM 763 C LYS A 48 79.625 -9.222 -10.135 1.00 0.00 C ATOM 764 O LYS A 48 79.739 -9.605 -8.970 1.00 0.00 O ATOM 765 CB LYS A 48 77.670 -9.736 -11.621 1.00 0.00 C ATOM 766 CG LYS A 48 76.187 -9.977 -11.401 1.00 0.00 C ATOM 767 CD LYS A 48 75.426 -10.050 -12.718 1.00 0.00 C ATOM 768 CE LYS A 48 75.338 -11.476 -13.241 1.00 0.00 C ATOM 769 NZ LYS A 48 73.938 -11.987 -13.240 1.00 0.00 N ATOM 0 H LYS A 48 78.221 -7.442 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 48 77.616 -8.568 -9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.825 -9.399 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.202 -10.681 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.048 -10.906 -10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 48 75.775 -9.176 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.421 -9.651 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.920 -9.421 -13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.737 -11.515 -14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.961 -12.126 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 73.941 -13.006 -13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 73.386 -11.487 -12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 73.509 -11.825 -14.173 1.00 0.00 H new ATOM 783 N GLU A 49 80.648 -9.210 -10.994 1.00 0.00 N ATOM 784 CA GLU A 49 81.987 -9.683 -10.618 1.00 0.00 C ATOM 785 C GLU A 49 82.599 -8.845 -9.489 1.00 0.00 C ATOM 786 O GLU A 49 83.336 -9.368 -8.652 1.00 0.00 O ATOM 787 CB GLU A 49 82.917 -9.660 -11.834 1.00 0.00 C ATOM 788 CG GLU A 49 82.740 -10.852 -12.764 1.00 0.00 C ATOM 789 CD GLU A 49 83.731 -10.847 -13.914 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.831 -11.413 -13.752 1.00 0.00 O ATOM 791 OE2 GLU A 49 83.406 -10.275 -14.981 1.00 0.00 O ATOM 0 H GLU A 49 80.576 -8.878 -11.956 1.00 0.00 H new ATOM 0 HA GLU A 49 81.877 -10.705 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.742 -8.743 -12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.951 -9.630 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.856 -11.774 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.726 -10.849 -13.163 1.00 0.00 H new ATOM 798 N SER A 50 82.285 -7.552 -9.462 1.00 0.00 N ATOM 799 CA SER A 50 82.819 -6.654 -8.434 1.00 0.00 C ATOM 800 C SER A 50 82.161 -6.920 -7.083 1.00 0.00 C ATOM 801 O SER A 50 82.829 -6.962 -6.050 1.00 0.00 O ATOM 802 CB SER A 50 82.609 -5.192 -8.831 1.00 0.00 C ATOM 803 OG SER A 50 83.664 -4.376 -8.350 1.00 0.00 O ATOM 0 H SER A 50 81.666 -7.101 -10.136 1.00 0.00 H new ATOM 0 HA SER A 50 83.888 -6.848 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 50 82.549 -5.112 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.659 -4.836 -8.432 1.00 0.00 H new ATOM 0 HG SER A 50 83.507 -3.447 -8.618 1.00 0.00 H new ATOM 809 N TYR A 51 80.844 -7.099 -7.107 1.00 0.00 N ATOM 810 CA TYR A 51 80.072 -7.370 -5.889 1.00 0.00 C ATOM 811 C TYR A 51 80.498 -8.688 -5.218 1.00 0.00 C ATOM 812 O TYR A 51 80.675 -8.742 -4.000 1.00 0.00 O ATOM 813 CB TYR A 51 78.564 -7.382 -6.210 1.00 0.00 C ATOM 814 CG TYR A 51 77.738 -8.279 -5.318 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.493 -7.949 -3.991 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.197 -9.456 -5.812 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.733 -8.770 -3.182 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.436 -10.283 -5.010 1.00 0.00 C ATOM 819 CZ TYR A 51 76.205 -9.936 -3.695 1.00 0.00 C ATOM 820 OH TYR A 51 75.444 -10.754 -2.893 1.00 0.00 O ATOM 0 H TYR A 51 80.283 -7.062 -7.958 1.00 0.00 H new ATOM 0 HA TYR A 51 80.278 -6.569 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.182 -6.364 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.429 -7.697 -7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.903 -7.036 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.374 -9.731 -6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.553 -8.500 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.023 -11.197 -5.410 1.00 0.00 H new ATOM 0 HH TYR A 51 74.502 -10.491 -2.957 1.00 0.00 H new ATOM 830 N CYS A 52 80.678 -9.747 -6.013 1.00 0.00 N ATOM 831 CA CYS A 52 81.075 -11.056 -5.471 1.00 0.00 C ATOM 832 C CYS A 52 82.478 -11.019 -4.864 1.00 0.00 C ATOM 833 O CYS A 52 82.747 -11.689 -3.863 1.00 0.00 O ATOM 834 CB CYS A 52 81.012 -12.147 -6.549 1.00 0.00 C ATOM 835 SG CYS A 52 79.421 -12.256 -7.400 1.00 0.00 S ATOM 0 H CYS A 52 80.557 -9.728 -7.026 1.00 0.00 H new ATOM 0 HA CYS A 52 80.363 -11.294 -4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.793 -11.960 -7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.232 -13.110 -6.089 1.00 0.00 H new ATOM 0 HG CYS A 52 79.278 -11.231 -8.187 1.00 0.00 H new ATOM 841 N GLN A 53 83.368 -10.229 -5.466 1.00 0.00 N ATOM 842 CA GLN A 53 84.746 -10.107 -4.982 1.00 0.00 C ATOM 843 C GLN A 53 84.806 -9.409 -3.615 1.00 0.00 C ATOM 844 O GLN A 53 85.739 -9.626 -2.842 1.00 0.00 O ATOM 845 CB GLN A 53 85.603 -9.358 -6.017 1.00 0.00 C ATOM 846 CG GLN A 53 85.903 -7.910 -5.656 1.00 0.00 C ATOM 847 CD GLN A 53 86.644 -7.172 -6.755 1.00 0.00 C ATOM 848 OE1 GLN A 53 87.757 -7.534 -7.126 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.031 -6.125 -7.284 1.00 0.00 N ATOM 0 H GLN A 53 83.161 -9.664 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 53 85.149 -11.111 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.545 -9.891 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.092 -9.381 -6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 53 84.968 -7.392 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.497 -7.884 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.106 -5.853 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.483 -5.590 -8.025 1.00 0.00 H new ATOM 858 N ARG A 54 83.805 -8.576 -3.322 1.00 0.00 N ATOM 859 CA ARG A 54 83.748 -7.860 -2.049 1.00 0.00 C ATOM 860 C ARG A 54 83.388 -8.807 -0.902 1.00 0.00 C ATOM 861 O ARG A 54 83.989 -8.755 0.169 1.00 0.00 O ATOM 862 CB ARG A 54 82.731 -6.718 -2.125 1.00 0.00 C ATOM 863 CG ARG A 54 83.166 -5.463 -1.385 1.00 0.00 C ATOM 864 CD ARG A 54 84.038 -4.573 -2.258 1.00 0.00 C ATOM 865 NE ARG A 54 83.982 -3.174 -1.838 1.00 0.00 N ATOM 866 CZ ARG A 54 84.771 -2.227 -2.319 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.674 -2.510 -3.227 1.00 0.00 N ATOM 868 NH2 ARG A 54 84.657 -0.994 -1.892 1.00 0.00 N ATOM 0 H ARG A 54 83.024 -8.382 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 54 84.736 -7.443 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.554 -6.469 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 54 81.781 -7.061 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.286 -4.907 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.715 -5.742 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.069 -4.923 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.715 -4.654 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 54 83.294 -2.912 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.772 -3.466 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.278 -1.774 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 54 83.958 -0.761 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 54 85.267 -0.267 -2.265 1.00 0.00 H new ATOM 882 N GLN A 55 82.396 -9.662 -1.136 1.00 0.00 N ATOM 883 CA GLN A 55 81.961 -10.632 -0.127 1.00 0.00 C ATOM 884 C GLN A 55 82.957 -11.793 0.006 1.00 0.00 C ATOM 885 O GLN A 55 83.265 -12.230 1.115 1.00 0.00 O ATOM 886 CB GLN A 55 80.573 -11.190 -0.468 1.00 0.00 C ATOM 887 CG GLN A 55 79.576 -10.142 -0.945 1.00 0.00 C ATOM 888 CD GLN A 55 78.215 -10.298 -0.296 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.781 -9.452 0.480 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.530 -11.388 -0.608 1.00 0.00 N ATOM 0 H GLN A 55 81.877 -9.705 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 55 81.914 -10.103 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.680 -11.951 -1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.167 -11.686 0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.967 -9.148 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.469 -10.213 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 55 77.923 -12.069 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 55 76.609 -11.546 -0.199 1.00 0.00 H new ATOM 899 N GLY A 56 83.451 -12.293 -1.126 1.00 0.00 N ATOM 900 CA GLY A 56 84.400 -13.394 -1.101 1.00 0.00 C ATOM 901 C GLY A 56 83.748 -14.737 -1.390 1.00 0.00 C ATOM 902 O GLY A 56 84.153 -15.763 -0.843 1.00 0.00 O ATOM 0 H GLY A 56 83.211 -11.955 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.184 -13.210 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.882 -13.431 -0.124 1.00 0.00 H new ATOM 906 N VAL A 57 82.740 -14.729 -2.256 1.00 0.00 N ATOM 907 CA VAL A 57 82.026 -15.953 -2.617 1.00 0.00 C ATOM 908 C VAL A 57 82.031 -16.169 -4.133 1.00 0.00 C ATOM 909 O VAL A 57 82.194 -15.217 -4.899 1.00 0.00 O ATOM 910 CB VAL A 57 80.562 -15.934 -2.112 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.485 -16.424 -0.674 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.953 -14.544 -2.238 1.00 0.00 C ATOM 0 H VAL A 57 82.397 -13.889 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 57 82.553 -16.775 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 57 79.983 -16.611 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.448 -16.403 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.865 -17.444 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.087 -15.776 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.925 -14.563 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.534 -13.837 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.964 -14.236 -3.283 1.00 0.00 H new ATOM 922 N PRO A 58 81.865 -17.430 -4.587 1.00 0.00 N ATOM 923 CA PRO A 58 81.849 -17.766 -6.021 1.00 0.00 C ATOM 924 C PRO A 58 80.739 -17.046 -6.788 1.00 0.00 C ATOM 925 O PRO A 58 79.641 -16.837 -6.265 1.00 0.00 O ATOM 926 CB PRO A 58 81.608 -19.280 -6.038 1.00 0.00 C ATOM 927 CG PRO A 58 82.015 -19.754 -4.685 1.00 0.00 C ATOM 928 CD PRO A 58 81.694 -18.629 -3.744 1.00 0.00 C ATOM 0 HA PRO A 58 82.774 -17.460 -6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.562 -19.510 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.195 -19.764 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.476 -20.660 -4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 58 83.078 -19.995 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.679 -18.706 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.365 -18.617 -2.885 1.00 0.00 H new ATOM 936 N MET A 59 81.028 -16.690 -8.037 1.00 0.00 N ATOM 937 CA MET A 59 80.065 -15.987 -8.892 1.00 0.00 C ATOM 938 C MET A 59 78.851 -16.859 -9.234 1.00 0.00 C ATOM 939 O MET A 59 77.783 -16.347 -9.557 1.00 0.00 O ATOM 940 CB MET A 59 80.750 -15.527 -10.181 1.00 0.00 C ATOM 941 CG MET A 59 80.809 -14.015 -10.339 1.00 0.00 C ATOM 942 SD MET A 59 80.286 -13.470 -11.975 1.00 0.00 S ATOM 943 CE MET A 59 78.505 -13.548 -11.804 1.00 0.00 C ATOM 0 H MET A 59 81.925 -16.876 -8.485 1.00 0.00 H new ATOM 0 HA MET A 59 79.704 -15.123 -8.334 1.00 0.00 H new ATOM 0 HB2 MET A 59 81.764 -15.925 -10.204 1.00 0.00 H new ATOM 0 HB3 MET A 59 80.221 -15.952 -11.034 1.00 0.00 H new ATOM 0 HG2 MET A 59 80.175 -13.549 -9.585 1.00 0.00 H new ATOM 0 HG3 MET A 59 81.827 -13.673 -10.154 1.00 0.00 H new ATOM 0 HE1 MET A 59 78.035 -13.155 -12.706 1.00 0.00 H new ATOM 0 HE2 MET A 59 78.199 -14.584 -11.657 1.00 0.00 H new ATOM 0 HE3 MET A 59 78.196 -12.953 -10.945 1.00 0.00 H new ATOM 953 N ASN A 60 79.018 -18.178 -9.154 1.00 0.00 N ATOM 954 CA ASN A 60 77.930 -19.108 -9.461 1.00 0.00 C ATOM 955 C ASN A 60 77.246 -19.616 -8.183 1.00 0.00 C ATOM 956 O ASN A 60 76.669 -20.704 -8.168 1.00 0.00 O ATOM 957 CB ASN A 60 78.458 -20.291 -10.281 1.00 0.00 C ATOM 958 CG ASN A 60 77.476 -20.747 -11.345 1.00 0.00 C ATOM 959 OD1 ASN A 60 77.707 -20.571 -12.536 1.00 0.00 O ATOM 960 ND2 ASN A 60 76.371 -21.335 -10.918 1.00 0.00 N ATOM 0 H ASN A 60 79.892 -18.627 -8.880 1.00 0.00 H new ATOM 0 HA ASN A 60 77.187 -18.568 -10.047 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.398 -20.009 -10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.676 -21.124 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 60 75.675 -21.660 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 60 76.215 -21.463 -9.918 1.00 0.00 H new ATOM 967 N SER A 61 77.312 -18.824 -7.116 1.00 0.00 N ATOM 968 CA SER A 61 76.696 -19.200 -5.842 1.00 0.00 C ATOM 969 C SER A 61 75.444 -18.367 -5.556 1.00 0.00 C ATOM 970 O SER A 61 74.566 -18.788 -4.801 1.00 0.00 O ATOM 971 CB SER A 61 77.696 -19.039 -4.694 1.00 0.00 C ATOM 972 OG SER A 61 77.961 -17.671 -4.431 1.00 0.00 O ATOM 0 H SER A 61 77.784 -17.920 -7.106 1.00 0.00 H new ATOM 0 HA SER A 61 76.400 -20.246 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.302 -19.515 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.626 -19.550 -4.944 1.00 0.00 H new ATOM 0 HG SER A 61 78.813 -17.418 -4.843 1.00 0.00 H new ATOM 978 N LEU A 62 75.364 -17.185 -6.162 1.00 0.00 N ATOM 979 CA LEU A 62 74.217 -16.302 -5.962 1.00 0.00 C ATOM 980 C LEU A 62 73.647 -15.818 -7.300 1.00 0.00 C ATOM 981 O LEU A 62 74.363 -15.726 -8.296 1.00 0.00 O ATOM 982 CB LEU A 62 74.608 -15.104 -5.086 1.00 0.00 C ATOM 983 CG LEU A 62 76.083 -14.692 -5.148 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.324 -13.715 -6.288 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.520 -14.086 -3.824 1.00 0.00 C ATOM 0 H LEU A 62 76.076 -16.817 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 62 73.441 -16.873 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 62 73.998 -14.249 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.357 -15.336 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 62 76.680 -15.585 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.378 -13.437 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.051 -14.184 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.717 -12.823 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.570 -13.799 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.914 -13.205 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.390 -14.819 -3.028 1.00 0.00 H new ATOM 997 N ARG A 63 72.355 -15.512 -7.308 1.00 0.00 N ATOM 998 CA ARG A 63 71.679 -15.040 -8.517 1.00 0.00 C ATOM 999 C ARG A 63 71.293 -13.564 -8.392 1.00 0.00 C ATOM 1000 O ARG A 63 70.744 -13.141 -7.376 1.00 0.00 O ATOM 1001 CB ARG A 63 70.428 -15.881 -8.792 1.00 0.00 C ATOM 1002 CG ARG A 63 70.648 -17.380 -8.650 1.00 0.00 C ATOM 1003 CD ARG A 63 69.941 -18.154 -9.751 1.00 0.00 C ATOM 1004 NE ARG A 63 69.881 -19.587 -9.464 1.00 0.00 N ATOM 1005 CZ ARG A 63 69.617 -20.510 -10.376 1.00 0.00 C ATOM 1006 NH1 ARG A 63 69.394 -20.171 -11.622 1.00 0.00 N ATOM 1007 NH2 ARG A 63 69.577 -21.777 -10.041 1.00 0.00 N ATOM 0 H ARG A 63 71.750 -15.582 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 63 72.373 -15.146 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 63 69.638 -15.573 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 63 70.075 -15.670 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.716 -17.596 -8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.283 -17.712 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.930 -17.767 -9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 63 70.460 -17.995 -10.696 1.00 0.00 H new ATOM 0 HE ARG A 63 70.052 -19.893 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 63 69.423 -19.189 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 63 69.191 -20.889 -12.317 1.00 0.00 H new ATOM 0 HH21 ARG A 63 69.750 -22.055 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 63 69.373 -22.485 -10.747 1.00 0.00 H new ATOM 1021 N LEU A 64 71.579 -12.788 -9.434 1.00 0.00 N ATOM 1022 CA LEU A 64 71.260 -11.358 -9.441 1.00 0.00 C ATOM 1023 C LEU A 64 70.134 -11.058 -10.432 1.00 0.00 C ATOM 1024 O LEU A 64 70.238 -11.372 -11.620 1.00 0.00 O ATOM 1025 CB LEU A 64 72.508 -10.531 -9.784 1.00 0.00 C ATOM 1026 CG LEU A 64 73.200 -9.875 -8.586 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.465 -10.633 -8.220 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.518 -8.418 -8.886 1.00 0.00 C ATOM 0 H LEU A 64 72.031 -13.122 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 64 70.921 -11.080 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.226 -11.177 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.226 -9.752 -10.492 1.00 0.00 H new ATOM 0 HG LEU A 64 72.520 -9.910 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 64 74.943 -10.152 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.211 -11.661 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.149 -10.630 -9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.009 -7.968 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.179 -8.360 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.594 -7.880 -9.099 1.00 0.00 H new ATOM 1040 N LEU A 65 69.060 -10.443 -9.940 1.00 0.00 N ATOM 1041 CA LEU A 65 67.910 -10.110 -10.788 1.00 0.00 C ATOM 1042 C LEU A 65 67.323 -8.736 -10.443 1.00 0.00 C ATOM 1043 O LEU A 65 67.507 -8.222 -9.338 1.00 0.00 O ATOM 1044 CB LEU A 65 66.836 -11.236 -10.744 1.00 0.00 C ATOM 1045 CG LEU A 65 65.877 -11.326 -9.529 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.582 -11.092 -8.202 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.702 -10.369 -9.686 1.00 0.00 C ATOM 0 H LEU A 65 68.959 -10.165 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 65 68.267 -10.043 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.222 -11.137 -11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.359 -12.190 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 65 65.499 -12.348 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 65 65.861 -11.167 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.361 -11.842 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.030 -10.099 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.046 -10.453 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.073 -9.347 -9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.145 -10.621 -10.589 1.00 0.00 H new ATOM 1059 N PHE A 66 66.620 -8.139 -11.405 1.00 0.00 N ATOM 1060 CA PHE A 66 66.020 -6.820 -11.211 1.00 0.00 C ATOM 1061 C PHE A 66 64.562 -6.789 -11.679 1.00 0.00 C ATOM 1062 O PHE A 66 64.268 -7.109 -12.827 1.00 0.00 O ATOM 1063 CB PHE A 66 66.843 -5.765 -11.962 1.00 0.00 C ATOM 1064 CG PHE A 66 66.312 -4.364 -11.832 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.359 -3.700 -10.616 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.773 -3.712 -12.928 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.874 -2.410 -10.498 1.00 0.00 C ATOM 1068 CE2 PHE A 66 65.287 -2.425 -12.817 1.00 0.00 C ATOM 1069 CZ PHE A 66 65.337 -1.772 -11.598 1.00 0.00 C ATOM 0 H PHE A 66 66.452 -8.547 -12.325 1.00 0.00 H new ATOM 0 HA PHE A 66 66.026 -6.596 -10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.868 -5.789 -11.592 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.879 -6.032 -13.018 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.778 -4.195 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.732 -4.217 -13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.915 -1.902 -9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.868 -1.928 -13.680 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.957 -0.765 -11.507 1.00 0.00 H new ATOM 1079 N GLU A 67 63.660 -6.415 -10.759 1.00 0.00 N ATOM 1080 CA GLU A 67 62.207 -6.309 -11.021 1.00 0.00 C ATOM 1081 C GLU A 67 61.606 -7.558 -11.699 1.00 0.00 C ATOM 1082 O GLU A 67 60.590 -7.472 -12.393 1.00 0.00 O ATOM 1083 CB GLU A 67 61.889 -5.029 -11.825 1.00 0.00 C ATOM 1084 CG GLU A 67 62.119 -5.132 -13.331 1.00 0.00 C ATOM 1085 CD GLU A 67 60.938 -4.632 -14.143 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.201 -3.753 -13.645 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.754 -5.115 -15.281 1.00 0.00 O ATOM 0 H GLU A 67 63.916 -6.174 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 67 61.726 -6.244 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.847 -4.759 -11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.499 -4.214 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 67 63.006 -4.558 -13.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.320 -6.171 -13.593 1.00 0.00 H new ATOM 1094 N GLY A 68 62.212 -8.720 -11.470 1.00 0.00 N ATOM 1095 CA GLY A 68 61.713 -9.951 -12.065 1.00 0.00 C ATOM 1096 C GLY A 68 62.456 -10.353 -13.331 1.00 0.00 C ATOM 1097 O GLY A 68 62.300 -11.469 -13.822 1.00 0.00 O ATOM 0 H GLY A 68 63.039 -8.833 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.791 -10.757 -11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.654 -9.832 -12.296 1.00 0.00 H new ATOM 1101 N GLN A 69 63.267 -9.442 -13.856 1.00 0.00 N ATOM 1102 CA GLN A 69 64.038 -9.704 -15.067 1.00 0.00 C ATOM 1103 C GLN A 69 65.435 -10.226 -14.718 1.00 0.00 C ATOM 1104 O GLN A 69 66.062 -9.766 -13.758 1.00 0.00 O ATOM 1105 CB GLN A 69 64.112 -8.422 -15.925 1.00 0.00 C ATOM 1106 CG GLN A 69 65.524 -7.951 -16.255 1.00 0.00 C ATOM 1107 CD GLN A 69 65.702 -6.452 -16.084 1.00 0.00 C ATOM 1108 OE1 GLN A 69 66.561 -6.001 -15.333 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.897 -5.671 -16.786 1.00 0.00 N ATOM 0 H GLN A 69 63.408 -8.512 -13.461 1.00 0.00 H new ATOM 0 HA GLN A 69 63.538 -10.479 -15.649 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.575 -8.595 -16.858 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.591 -7.621 -15.401 1.00 0.00 H new ATOM 0 HG2 GLN A 69 66.235 -8.472 -15.613 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.762 -8.225 -17.283 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.195 -6.083 -17.400 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.979 -4.657 -16.713 1.00 0.00 H new ATOM 1118 N ARG A 70 65.912 -11.205 -15.488 1.00 0.00 N ATOM 1119 CA ARG A 70 67.234 -11.783 -15.260 1.00 0.00 C ATOM 1120 C ARG A 70 68.330 -10.844 -15.769 1.00 0.00 C ATOM 1121 O ARG A 70 68.121 -10.083 -16.717 1.00 0.00 O ATOM 1122 CB ARG A 70 67.342 -13.161 -15.926 1.00 0.00 C ATOM 1123 CG ARG A 70 67.584 -13.115 -17.430 1.00 0.00 C ATOM 1124 CD ARG A 70 68.647 -14.119 -17.853 1.00 0.00 C ATOM 1125 NE ARG A 70 69.941 -13.841 -17.233 1.00 0.00 N ATOM 1126 CZ ARG A 70 70.904 -14.736 -17.099 1.00 0.00 C ATOM 1127 NH1 ARG A 70 70.746 -15.959 -17.543 1.00 0.00 N ATOM 1128 NH2 ARG A 70 72.032 -14.406 -16.519 1.00 0.00 N ATOM 0 H ARG A 70 65.403 -11.612 -16.273 1.00 0.00 H new ATOM 0 HA ARG A 70 67.372 -11.912 -14.187 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.154 -13.716 -15.456 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.424 -13.717 -15.735 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.653 -13.325 -17.956 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.894 -12.111 -17.720 1.00 0.00 H new ATOM 0 HD2 ARG A 70 68.324 -15.124 -17.583 1.00 0.00 H new ATOM 0 HD3 ARG A 70 68.753 -14.099 -18.938 1.00 0.00 H new ATOM 0 HE ARG A 70 70.111 -12.898 -16.882 1.00 0.00 H new ATOM 0 HH11 ARG A 70 69.873 -16.228 -17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 70 71.496 -16.642 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 70 72.168 -13.457 -16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 70 72.774 -15.098 -16.416 1.00 0.00 H new ATOM 1142 N ILE A 71 69.502 -10.902 -15.145 1.00 0.00 N ATOM 1143 CA ILE A 71 70.605 -10.035 -15.540 1.00 0.00 C ATOM 1144 C ILE A 71 71.749 -10.828 -16.184 1.00 0.00 C ATOM 1145 O ILE A 71 72.299 -11.765 -15.589 1.00 0.00 O ATOM 1146 CB ILE A 71 71.129 -9.212 -14.335 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.288 -7.947 -14.143 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.591 -8.836 -14.516 1.00 0.00 C ATOM 1149 CD1 ILE A 71 70.108 -7.559 -12.693 1.00 0.00 C ATOM 0 H ILE A 71 69.711 -11.533 -14.372 1.00 0.00 H new ATOM 0 HA ILE A 71 70.216 -9.344 -16.287 1.00 0.00 H new ATOM 0 HB ILE A 71 71.043 -9.838 -13.446 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.760 -7.122 -14.676 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.308 -8.099 -14.595 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.928 -8.260 -13.654 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.191 -9.741 -14.604 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.703 -8.237 -15.420 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.503 -6.655 -12.631 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.608 -8.368 -12.159 1.00 0.00 H new ATOM 0 HD13 ILE A 71 71.083 -7.375 -12.242 1.00 0.00 H new ATOM 1161 N ALA A 72 72.083 -10.456 -17.416 1.00 0.00 N ATOM 1162 CA ALA A 72 73.160 -11.102 -18.160 1.00 0.00 C ATOM 1163 C ALA A 72 74.464 -10.296 -18.078 1.00 0.00 C ATOM 1164 O ALA A 72 74.629 -9.444 -17.208 1.00 0.00 O ATOM 1165 CB ALA A 72 72.745 -11.303 -19.612 1.00 0.00 C ATOM 0 H ALA A 72 71.619 -9.703 -17.924 1.00 0.00 H new ATOM 0 HA ALA A 72 73.347 -12.075 -17.706 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.555 -11.786 -20.159 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.855 -11.931 -19.652 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.527 -10.336 -20.065 1.00 0.00 H new ATOM 1171 N ASP A 73 75.386 -10.568 -18.999 1.00 0.00 N ATOM 1172 CA ASP A 73 76.683 -9.893 -19.029 1.00 0.00 C ATOM 1173 C ASP A 73 76.705 -8.727 -20.028 1.00 0.00 C ATOM 1174 O ASP A 73 77.172 -7.634 -19.706 1.00 0.00 O ATOM 1175 CB ASP A 73 77.783 -10.897 -19.387 1.00 0.00 C ATOM 1176 CG ASP A 73 77.746 -12.137 -18.512 1.00 0.00 C ATOM 1177 OD1 ASP A 73 78.409 -12.138 -17.454 1.00 0.00 O ATOM 1178 OD2 ASP A 73 77.053 -13.105 -18.887 1.00 0.00 O ATOM 0 H ASP A 73 75.258 -11.257 -19.740 1.00 0.00 H new ATOM 0 HA ASP A 73 76.861 -9.482 -18.035 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.677 -11.190 -20.431 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.756 -10.416 -19.288 1.00 0.00 H new ATOM 1183 N ASN A 74 76.186 -8.964 -21.233 1.00 0.00 N ATOM 1184 CA ASN A 74 76.163 -7.945 -22.292 1.00 0.00 C ATOM 1185 C ASN A 74 74.993 -6.962 -22.145 1.00 0.00 C ATOM 1186 O ASN A 74 74.534 -6.383 -23.129 1.00 0.00 O ATOM 1187 CB ASN A 74 76.106 -8.617 -23.672 1.00 0.00 C ATOM 1188 CG ASN A 74 75.176 -9.820 -23.715 1.00 0.00 C ATOM 1189 OD1 ASN A 74 74.218 -9.916 -22.950 1.00 0.00 O ATOM 1190 ND2 ASN A 74 75.453 -10.748 -24.615 1.00 0.00 N ATOM 0 H ASN A 74 75.773 -9.856 -21.504 1.00 0.00 H new ATOM 0 HA ASN A 74 77.083 -7.369 -22.195 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.779 -7.886 -24.411 1.00 0.00 H new ATOM 0 HB3 ASN A 74 77.110 -8.932 -23.957 1.00 0.00 H new ATOM 0 HD21 ASN A 74 74.863 -11.577 -24.691 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.256 -10.635 -25.233 1.00 0.00 H new ATOM 1197 N HIS A 75 74.520 -6.769 -20.920 1.00 0.00 N ATOM 1198 CA HIS A 75 73.410 -5.854 -20.665 1.00 0.00 C ATOM 1199 C HIS A 75 73.884 -4.614 -19.913 1.00 0.00 C ATOM 1200 O HIS A 75 74.891 -4.651 -19.210 1.00 0.00 O ATOM 1201 CB HIS A 75 72.320 -6.550 -19.852 1.00 0.00 C ATOM 1202 CG HIS A 75 71.485 -7.517 -20.642 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.606 -8.401 -20.054 1.00 0.00 N ATOM 1204 CD2 HIS A 75 71.389 -7.733 -21.977 1.00 0.00 C ATOM 1205 CE1 HIS A 75 70.008 -9.117 -20.988 1.00 0.00 C ATOM 1206 NE2 HIS A 75 70.465 -8.730 -22.164 1.00 0.00 N ATOM 0 H HIS A 75 74.886 -7.232 -20.088 1.00 0.00 H new ATOM 0 HA HIS A 75 73.005 -5.549 -21.630 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.785 -7.082 -19.022 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.667 -5.793 -19.418 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.938 -7.216 -22.750 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.271 -9.888 -20.819 1.00 0.00 H new ATOM 0 HE2 HIS A 75 70.178 -9.110 -23.066 1.00 0.00 H new ATOM 1214 N THR A 76 73.150 -3.515 -20.069 1.00 0.00 N ATOM 1215 CA THR A 76 73.484 -2.262 -19.395 1.00 0.00 C ATOM 1216 C THR A 76 72.298 -1.768 -18.562 1.00 0.00 C ATOM 1217 O THR A 76 71.144 -2.039 -18.900 1.00 0.00 O ATOM 1218 CB THR A 76 73.884 -1.154 -20.396 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.730 -0.698 -21.111 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.935 -1.650 -21.382 1.00 0.00 C ATOM 0 H THR A 76 72.318 -3.466 -20.657 1.00 0.00 H new ATOM 0 HA THR A 76 74.336 -2.470 -18.748 1.00 0.00 H new ATOM 0 HB THR A 76 74.312 -0.328 -19.827 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.696 -1.133 -21.988 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.194 -0.847 -22.072 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.826 -1.962 -20.837 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.537 -2.496 -21.943 1.00 0.00 H new ATOM 1228 N PRO A 77 72.564 -1.045 -17.453 1.00 0.00 N ATOM 1229 CA PRO A 77 71.508 -0.510 -16.573 1.00 0.00 C ATOM 1230 C PRO A 77 70.479 0.345 -17.316 1.00 0.00 C ATOM 1231 O PRO A 77 69.280 0.267 -17.041 1.00 0.00 O ATOM 1232 CB PRO A 77 72.280 0.350 -15.570 1.00 0.00 C ATOM 1233 CG PRO A 77 73.655 -0.225 -15.556 1.00 0.00 C ATOM 1234 CD PRO A 77 73.912 -0.711 -16.954 1.00 0.00 C ATOM 0 HA PRO A 77 70.927 -1.314 -16.121 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.292 1.397 -15.873 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.824 0.310 -14.581 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.389 0.525 -15.262 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.729 -1.042 -14.838 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.388 0.056 -17.565 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.570 -1.580 -16.963 1.00 0.00 H new ATOM 1242 N LYS A 78 70.949 1.158 -18.262 1.00 0.00 N ATOM 1243 CA LYS A 78 70.060 2.027 -19.040 1.00 0.00 C ATOM 1244 C LYS A 78 69.130 1.218 -19.954 1.00 0.00 C ATOM 1245 O LYS A 78 68.039 1.673 -20.296 1.00 0.00 O ATOM 1246 CB LYS A 78 70.879 3.039 -19.858 1.00 0.00 C ATOM 1247 CG LYS A 78 71.588 2.449 -21.070 1.00 0.00 C ATOM 1248 CD LYS A 78 72.605 3.419 -21.647 1.00 0.00 C ATOM 1249 CE LYS A 78 72.891 3.119 -23.112 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.067 3.963 -24.021 1.00 0.00 N ATOM 0 H LYS A 78 71.936 1.235 -18.509 1.00 0.00 H new ATOM 0 HA LYS A 78 69.431 2.572 -18.335 1.00 0.00 H new ATOM 0 HB2 LYS A 78 70.216 3.836 -20.194 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.623 3.497 -19.206 1.00 0.00 H new ATOM 0 HG2 LYS A 78 72.088 1.523 -20.785 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.854 2.193 -21.834 1.00 0.00 H new ATOM 0 HD2 LYS A 78 72.233 4.439 -21.549 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.531 3.361 -21.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 73.948 3.288 -23.318 1.00 0.00 H new ATOM 0 HE3 LYS A 78 72.691 2.066 -23.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 72.290 3.729 -25.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 71.058 3.783 -23.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 72.276 4.967 -23.847 1.00 0.00 H new ATOM 1264 N GLU A 79 69.560 0.018 -20.345 1.00 0.00 N ATOM 1265 CA GLU A 79 68.754 -0.845 -21.204 1.00 0.00 C ATOM 1266 C GLU A 79 67.806 -1.717 -20.376 1.00 0.00 C ATOM 1267 O GLU A 79 66.673 -1.978 -20.783 1.00 0.00 O ATOM 1268 CB GLU A 79 69.655 -1.731 -22.070 1.00 0.00 C ATOM 1269 CG GLU A 79 69.832 -1.214 -23.490 1.00 0.00 C ATOM 1270 CD GLU A 79 71.089 -1.742 -24.152 1.00 0.00 C ATOM 1271 OE1 GLU A 79 72.169 -1.669 -23.520 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.999 -2.231 -25.297 1.00 0.00 O ATOM 0 H GLU A 79 70.462 -0.377 -20.080 1.00 0.00 H new ATOM 0 HA GLU A 79 68.155 -0.205 -21.852 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.634 -1.812 -21.597 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.235 -2.736 -22.108 1.00 0.00 H new ATOM 0 HG2 GLU A 79 68.965 -1.498 -24.087 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.865 -0.125 -23.474 1.00 0.00 H new ATOM 1279 N LEU A 80 68.280 -2.170 -19.216 1.00 0.00 N ATOM 1280 CA LEU A 80 67.475 -3.012 -18.324 1.00 0.00 C ATOM 1281 C LEU A 80 66.374 -2.218 -17.598 1.00 0.00 C ATOM 1282 O LEU A 80 65.452 -2.809 -17.032 1.00 0.00 O ATOM 1283 CB LEU A 80 68.374 -3.706 -17.300 1.00 0.00 C ATOM 1284 CG LEU A 80 69.298 -4.786 -17.870 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.176 -5.365 -16.774 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.488 -5.885 -18.541 1.00 0.00 C ATOM 0 H LEU A 80 69.218 -1.969 -18.869 1.00 0.00 H new ATOM 0 HA LEU A 80 66.982 -3.757 -18.949 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.985 -2.951 -16.806 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.744 -4.157 -16.534 1.00 0.00 H new ATOM 0 HG LEU A 80 69.940 -4.327 -18.622 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.827 -6.131 -17.196 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.784 -4.572 -16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.548 -5.808 -16.001 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.163 -6.643 -18.940 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.820 -6.342 -17.811 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.900 -5.459 -19.354 1.00 0.00 H new ATOM 1298 N GLY A 81 66.474 -0.888 -17.612 1.00 0.00 N ATOM 1299 CA GLY A 81 65.470 -0.058 -16.963 1.00 0.00 C ATOM 1300 C GLY A 81 65.820 0.331 -15.535 1.00 0.00 C ATOM 1301 O GLY A 81 64.950 0.354 -14.665 1.00 0.00 O ATOM 0 H GLY A 81 67.231 -0.372 -18.060 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.327 0.848 -17.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.519 -0.590 -16.961 1.00 0.00 H new ATOM 1305 N MET A 82 67.090 0.644 -15.284 1.00 0.00 N ATOM 1306 CA MET A 82 67.519 1.055 -13.944 1.00 0.00 C ATOM 1307 C MET A 82 67.349 2.562 -13.769 1.00 0.00 C ATOM 1308 O MET A 82 67.407 3.323 -14.734 1.00 0.00 O ATOM 1309 CB MET A 82 68.974 0.650 -13.678 1.00 0.00 C ATOM 1310 CG MET A 82 69.119 -0.726 -13.047 1.00 0.00 C ATOM 1311 SD MET A 82 69.198 -2.049 -14.268 1.00 0.00 S ATOM 1312 CE MET A 82 70.094 -3.301 -13.354 1.00 0.00 C ATOM 0 H MET A 82 67.834 0.622 -15.981 1.00 0.00 H new ATOM 0 HA MET A 82 66.888 0.542 -13.218 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.525 0.669 -14.618 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.434 1.390 -13.024 1.00 0.00 H new ATOM 0 HG2 MET A 82 70.021 -0.747 -12.436 1.00 0.00 H new ATOM 0 HG3 MET A 82 68.277 -0.905 -12.378 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.223 -4.185 -13.978 1.00 0.00 H new ATOM 0 HE2 MET A 82 71.072 -2.913 -13.068 1.00 0.00 H new ATOM 0 HE3 MET A 82 69.534 -3.568 -12.458 1.00 0.00 H new ATOM 1322 N GLU A 83 67.142 2.990 -12.530 1.00 0.00 N ATOM 1323 CA GLU A 83 66.945 4.405 -12.233 1.00 0.00 C ATOM 1324 C GLU A 83 67.843 4.861 -11.084 1.00 0.00 C ATOM 1325 O GLU A 83 68.658 4.085 -10.595 1.00 0.00 O ATOM 1326 CB GLU A 83 65.470 4.686 -11.905 1.00 0.00 C ATOM 1327 CG GLU A 83 64.978 4.030 -10.621 1.00 0.00 C ATOM 1328 CD GLU A 83 63.664 4.618 -10.132 1.00 0.00 C ATOM 1329 OE1 GLU A 83 63.501 5.854 -10.212 1.00 0.00 O ATOM 1330 OE2 GLU A 83 62.801 3.840 -9.673 1.00 0.00 O ATOM 0 H GLU A 83 67.106 2.379 -11.714 1.00 0.00 H new ATOM 0 HA GLU A 83 67.221 4.974 -13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.326 5.764 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.853 4.341 -12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 83 64.853 2.960 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 83 65.735 4.145 -9.845 1.00 0.00 H new ATOM 1337 N GLU A 84 67.695 6.134 -10.697 1.00 0.00 N ATOM 1338 CA GLU A 84 68.467 6.768 -9.603 1.00 0.00 C ATOM 1339 C GLU A 84 68.921 5.811 -8.480 1.00 0.00 C ATOM 1340 O GLU A 84 70.100 5.798 -8.127 1.00 0.00 O ATOM 1341 CB GLU A 84 67.652 7.911 -8.987 1.00 0.00 C ATOM 1342 CG GLU A 84 67.983 9.279 -9.567 1.00 0.00 C ATOM 1343 CD GLU A 84 67.116 10.383 -8.994 1.00 0.00 C ATOM 1344 OE1 GLU A 84 66.037 10.648 -9.567 1.00 0.00 O ATOM 1345 OE2 GLU A 84 67.515 10.982 -7.973 1.00 0.00 O ATOM 0 H GLU A 84 67.028 6.768 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 84 69.380 7.132 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 84 66.591 7.710 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 84 67.825 7.931 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 84 69.031 9.508 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.859 9.250 -10.649 1.00 0.00 H new ATOM 1352 N GLU A 85 67.996 5.025 -7.904 1.00 0.00 N ATOM 1353 CA GLU A 85 68.346 4.100 -6.815 1.00 0.00 C ATOM 1354 C GLU A 85 69.362 3.036 -7.256 1.00 0.00 C ATOM 1355 O GLU A 85 70.271 2.700 -6.494 1.00 0.00 O ATOM 1356 CB GLU A 85 67.083 3.417 -6.280 1.00 0.00 C ATOM 1357 CG GLU A 85 66.251 4.299 -5.358 1.00 0.00 C ATOM 1358 CD GLU A 85 65.018 4.863 -6.042 1.00 0.00 C ATOM 1359 OE1 GLU A 85 65.081 5.111 -7.267 1.00 0.00 O ATOM 1360 OE2 GLU A 85 63.995 5.056 -5.354 1.00 0.00 O ATOM 0 H GLU A 85 67.012 5.011 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 85 68.811 4.692 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.466 3.104 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.370 2.514 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 85 65.945 3.720 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 85 66.868 5.121 -4.994 1.00 0.00 H new ATOM 1367 N ASP A 86 69.200 2.513 -8.479 1.00 0.00 N ATOM 1368 CA ASP A 86 70.114 1.503 -9.042 1.00 0.00 C ATOM 1369 C ASP A 86 70.308 0.274 -8.134 1.00 0.00 C ATOM 1370 O ASP A 86 71.282 -0.467 -8.289 1.00 0.00 O ATOM 1371 CB ASP A 86 71.463 2.145 -9.375 1.00 0.00 C ATOM 1372 CG ASP A 86 71.642 2.370 -10.863 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.509 1.392 -11.630 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.915 3.519 -11.263 1.00 0.00 O ATOM 0 H ASP A 86 68.438 2.774 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 86 69.646 1.132 -9.954 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.548 3.098 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.267 1.507 -9.007 1.00 0.00 H new ATOM 1379 N VAL A 87 69.390 0.058 -7.195 1.00 0.00 N ATOM 1380 CA VAL A 87 69.497 -1.065 -6.262 1.00 0.00 C ATOM 1381 C VAL A 87 69.036 -2.386 -6.897 1.00 0.00 C ATOM 1382 O VAL A 87 67.929 -2.495 -7.426 1.00 0.00 O ATOM 1383 CB VAL A 87 68.686 -0.798 -4.967 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.256 -0.372 -5.284 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.690 -2.020 -4.058 1.00 0.00 C ATOM 0 H VAL A 87 68.565 0.643 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 87 70.553 -1.159 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 87 69.173 0.023 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.715 -0.193 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.272 0.543 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.758 -1.161 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.114 -1.806 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.243 -2.865 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 87 69.716 -2.266 -3.783 1.00 0.00 H new ATOM 1395 N ILE A 88 69.918 -3.385 -6.846 1.00 0.00 N ATOM 1396 CA ILE A 88 69.626 -4.710 -7.399 1.00 0.00 C ATOM 1397 C ILE A 88 69.402 -5.732 -6.279 1.00 0.00 C ATOM 1398 O ILE A 88 69.947 -5.596 -5.181 1.00 0.00 O ATOM 1399 CB ILE A 88 70.764 -5.218 -8.320 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.508 -4.049 -8.978 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.201 -6.152 -9.382 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.655 -4.476 -9.870 1.00 0.00 C ATOM 0 H ILE A 88 70.844 -3.302 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 88 68.717 -4.606 -7.992 1.00 0.00 H new ATOM 0 HB ILE A 88 71.478 -5.767 -7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.800 -3.466 -9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.892 -3.391 -8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.009 -6.503 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.724 -7.005 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.466 -5.618 -9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.131 -3.594 -10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.385 -5.033 -9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.276 -5.109 -10.672 1.00 0.00 H new ATOM 1414 N GLU A 89 68.605 -6.759 -6.564 1.00 0.00 N ATOM 1415 CA GLU A 89 68.312 -7.799 -5.573 1.00 0.00 C ATOM 1416 C GLU A 89 69.110 -9.071 -5.867 1.00 0.00 C ATOM 1417 O GLU A 89 69.229 -9.495 -7.018 1.00 0.00 O ATOM 1418 CB GLU A 89 66.808 -8.116 -5.532 1.00 0.00 C ATOM 1419 CG GLU A 89 66.340 -8.664 -4.190 1.00 0.00 C ATOM 1420 CD GLU A 89 64.834 -8.590 -4.023 1.00 0.00 C ATOM 1421 OE1 GLU A 89 64.318 -7.485 -3.754 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.169 -9.641 -4.161 1.00 0.00 O ATOM 0 H GLU A 89 68.151 -6.896 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 89 68.610 -7.418 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.247 -7.210 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.576 -8.841 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.662 -9.701 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 89 66.819 -8.105 -3.386 1.00 0.00 H new ATOM 1429 N VAL A 90 69.663 -9.674 -4.817 1.00 0.00 N ATOM 1430 CA VAL A 90 70.462 -10.890 -4.962 1.00 0.00 C ATOM 1431 C VAL A 90 69.887 -12.050 -4.145 1.00 0.00 C ATOM 1432 O VAL A 90 69.436 -11.865 -3.013 1.00 0.00 O ATOM 1433 CB VAL A 90 71.926 -10.657 -4.525 1.00 0.00 C ATOM 1434 CG1 VAL A 90 72.820 -11.796 -4.995 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.444 -9.326 -5.043 1.00 0.00 C ATOM 0 H VAL A 90 69.573 -9.341 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 90 70.433 -11.150 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 90 71.948 -10.630 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 90 73.845 -11.609 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.471 -12.734 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.785 -11.861 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.476 -9.187 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.399 -9.317 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 90 71.829 -8.518 -4.648 1.00 0.00 H new ATOM 1445 N TYR A 91 69.903 -13.242 -4.733 1.00 0.00 N ATOM 1446 CA TYR A 91 69.414 -14.447 -4.061 1.00 0.00 C ATOM 1447 C TYR A 91 70.550 -15.455 -3.898 1.00 0.00 C ATOM 1448 O TYR A 91 71.210 -15.819 -4.872 1.00 0.00 O ATOM 1449 CB TYR A 91 68.251 -15.088 -4.834 1.00 0.00 C ATOM 1450 CG TYR A 91 66.959 -14.301 -4.763 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.230 -14.021 -5.912 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.466 -13.843 -3.545 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.050 -13.304 -5.852 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.286 -13.128 -3.479 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.584 -12.860 -4.634 1.00 0.00 C ATOM 1456 OH TYR A 91 63.409 -12.145 -4.569 1.00 0.00 O ATOM 0 H TYR A 91 70.251 -13.402 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 91 69.045 -14.155 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.540 -15.200 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.076 -16.090 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.591 -14.369 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.014 -14.050 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.496 -13.093 -6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 91 64.915 -12.780 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 91 63.573 -11.286 -4.128 1.00 0.00 H new ATOM 1466 N GLN A 92 70.772 -15.912 -2.672 1.00 0.00 N ATOM 1467 CA GLN A 92 71.852 -16.858 -2.396 1.00 0.00 C ATOM 1468 C GLN A 92 71.367 -18.303 -2.505 1.00 0.00 C ATOM 1469 O GLN A 92 70.761 -18.843 -1.581 1.00 0.00 O ATOM 1470 CB GLN A 92 72.439 -16.599 -1.003 1.00 0.00 C ATOM 1471 CG GLN A 92 73.762 -15.841 -1.019 1.00 0.00 C ATOM 1472 CD GLN A 92 74.031 -15.096 0.275 1.00 0.00 C ATOM 1473 OE1 GLN A 92 73.916 -13.873 0.337 1.00 0.00 O ATOM 1474 NE2 GLN A 92 74.398 -15.825 1.316 1.00 0.00 N ATOM 0 H GLN A 92 70.223 -15.646 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 92 72.630 -16.708 -3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 92 71.716 -16.035 -0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.585 -17.554 -0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.575 -16.543 -1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.759 -15.132 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.482 -16.837 1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 92 74.597 -15.375 2.209 1.00 0.00 H new ATOM 1483 N GLU A 93 71.656 -18.928 -3.642 1.00 0.00 N ATOM 1484 CA GLU A 93 71.260 -20.313 -3.879 1.00 0.00 C ATOM 1485 C GLU A 93 72.440 -21.255 -3.644 1.00 0.00 C ATOM 1486 O GLU A 93 72.864 -21.980 -4.545 1.00 0.00 O ATOM 1487 CB GLU A 93 70.729 -20.477 -5.308 1.00 0.00 C ATOM 1488 CG GLU A 93 69.631 -21.523 -5.441 1.00 0.00 C ATOM 1489 CD GLU A 93 70.067 -22.729 -6.254 1.00 0.00 C ATOM 1490 OE1 GLU A 93 70.587 -23.699 -5.656 1.00 0.00 O ATOM 1491 OE2 GLU A 93 69.891 -22.703 -7.493 1.00 0.00 O ATOM 0 H GLU A 93 72.164 -18.497 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 93 70.466 -20.570 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.347 -19.517 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.556 -20.747 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 93 69.325 -21.851 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.758 -21.070 -5.910 1.00 0.00 H new