USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.099) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.036) USER MOD Single : A 34 ASN : amide:sc= 0.0205 K(o=0.02,f=-6!) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.0972 (180deg=-0.504) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -47:sc= -0.281 USER MOD Single : A 47 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.37) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.748 F(o=-3.6!,f=-0.75) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.063 K(o=0.063,f=-0.65) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.152 (180deg=-0.814) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 151:sc= -0.91 (180deg=-3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.665 8.414 1.968 1.00 0.00 N ATOM 243 CA GLN A 21 6.837 7.272 2.338 1.00 0.00 C ATOM 244 C GLN A 21 6.462 6.451 1.109 1.00 0.00 C ATOM 245 O GLN A 21 6.557 5.224 1.119 1.00 0.00 O ATOM 246 CB GLN A 21 5.572 7.743 3.057 1.00 0.00 C ATOM 247 CG GLN A 21 5.746 7.892 4.560 1.00 0.00 C ATOM 248 CD GLN A 21 6.955 8.730 4.928 1.00 0.00 C ATOM 249 OE1 GLN A 21 6.993 9.933 4.665 1.00 0.00 O ATOM 250 NE2 GLN A 21 7.950 8.099 5.539 1.00 0.00 N ATOM 0 HA GLN A 21 7.415 6.640 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.262 8.701 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.768 7.034 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.851 8.348 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.843 6.904 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.876 7.101 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.789 8.612 5.810 1.00 0.00 H new ATOM 259 N GLU A 22 6.036 7.137 0.053 1.00 0.00 N ATOM 260 CA GLU A 22 5.645 6.469 -1.183 1.00 0.00 C ATOM 261 C GLU A 22 6.867 5.927 -1.919 1.00 0.00 C ATOM 262 O GLU A 22 6.747 5.087 -2.811 1.00 0.00 O ATOM 263 CB GLU A 22 4.878 7.434 -2.089 1.00 0.00 C ATOM 264 CG GLU A 22 3.924 6.741 -3.048 1.00 0.00 C ATOM 265 CD GLU A 22 2.853 7.673 -3.581 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.289 8.449 -2.782 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.580 7.627 -4.799 1.00 0.00 O ATOM 0 H GLU A 22 5.953 8.153 0.028 1.00 0.00 H new ATOM 0 HA GLU A 22 4.997 5.632 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.314 8.131 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.592 8.025 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.490 6.329 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.450 5.902 -2.539 1.00 0.00 H new ATOM 274 N LYS A 23 8.043 6.413 -1.537 1.00 0.00 N ATOM 275 CA LYS A 23 9.289 5.978 -2.158 1.00 0.00 C ATOM 276 C LYS A 23 9.835 4.731 -1.468 1.00 0.00 C ATOM 277 O LYS A 23 10.436 3.868 -2.108 1.00 0.00 O ATOM 278 CB LYS A 23 10.328 7.100 -2.104 1.00 0.00 C ATOM 279 CG LYS A 23 11.079 7.171 -0.786 1.00 0.00 C ATOM 280 CD LYS A 23 12.272 8.108 -0.873 1.00 0.00 C ATOM 281 CE LYS A 23 13.369 7.705 0.100 1.00 0.00 C ATOM 282 NZ LYS A 23 14.087 6.480 -0.348 1.00 0.00 N ATOM 0 H LYS A 23 8.160 7.109 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 23 9.081 5.733 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.044 6.960 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.830 8.053 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.405 7.511 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.418 6.174 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.666 8.104 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.951 9.128 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.080 8.524 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.935 7.532 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.981 6.390 0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.494 5.645 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.288 6.548 -1.366 1.00 0.00 H new ATOM 296 N LEU A 24 9.620 4.643 -0.160 1.00 0.00 N ATOM 297 CA LEU A 24 10.089 3.501 0.617 1.00 0.00 C ATOM 298 C LEU A 24 9.257 2.258 0.315 1.00 0.00 C ATOM 299 O LEU A 24 9.777 1.142 0.286 1.00 0.00 O ATOM 300 CB LEU A 24 10.029 3.817 2.112 1.00 0.00 C ATOM 301 CG LEU A 24 10.291 2.644 3.057 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.691 2.088 2.844 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.101 3.072 4.505 1.00 0.00 C ATOM 0 H LEU A 24 9.124 5.349 0.385 1.00 0.00 H new ATOM 0 HA LEU A 24 11.123 3.301 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.756 4.600 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.044 4.226 2.337 1.00 0.00 H new ATOM 0 HG LEU A 24 9.571 1.856 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.859 1.254 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.793 1.742 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.426 2.869 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.292 2.224 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.796 3.878 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.079 3.421 4.650 1.00 0.00 H new ATOM 315 N VAL A 25 7.963 2.459 0.087 1.00 0.00 N ATOM 316 CA VAL A 25 7.060 1.356 -0.217 1.00 0.00 C ATOM 317 C VAL A 25 7.308 0.813 -1.619 1.00 0.00 C ATOM 318 O VAL A 25 7.462 -0.394 -1.810 1.00 0.00 O ATOM 319 CB VAL A 25 5.586 1.789 -0.099 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.662 0.598 -0.303 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.330 2.447 1.248 1.00 0.00 C ATOM 0 H VAL A 25 7.517 3.376 0.107 1.00 0.00 H new ATOM 0 HA VAL A 25 7.261 0.572 0.513 1.00 0.00 H new ATOM 0 HB VAL A 25 5.377 2.520 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.625 0.923 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.828 0.174 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.870 -0.158 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.284 2.746 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.556 1.741 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.966 3.326 1.350 1.00 0.00 H new ATOM 331 N TYR A 26 7.346 1.710 -2.597 1.00 0.00 N ATOM 332 CA TYR A 26 7.574 1.321 -3.984 1.00 0.00 C ATOM 333 C TYR A 26 8.837 0.474 -4.111 1.00 0.00 C ATOM 334 O TYR A 26 8.891 -0.463 -4.907 1.00 0.00 O ATOM 335 CB TYR A 26 7.687 2.561 -4.872 1.00 0.00 C ATOM 336 CG TYR A 26 8.119 2.255 -6.288 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.290 1.549 -7.151 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.357 2.672 -6.762 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.682 1.267 -8.446 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.756 2.395 -8.056 1.00 0.00 C ATOM 341 CZ TYR A 26 8.916 1.692 -8.893 1.00 0.00 C ATOM 342 OH TYR A 26 9.309 1.413 -10.182 1.00 0.00 O ATOM 0 H TYR A 26 7.222 2.712 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 26 6.723 0.724 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.723 3.069 -4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.400 3.254 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.323 1.215 -6.804 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.018 3.222 -6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.026 0.717 -9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.721 2.728 -8.410 1.00 0.00 H new ATOM 0 HH TYR A 26 10.203 1.783 -10.339 1.00 0.00 H new ATOM 352 N GLN A 27 9.850 0.812 -3.320 1.00 0.00 N ATOM 353 CA GLN A 27 11.113 0.083 -3.344 1.00 0.00 C ATOM 354 C GLN A 27 10.931 -1.338 -2.822 1.00 0.00 C ATOM 355 O GLN A 27 11.568 -2.274 -3.308 1.00 0.00 O ATOM 356 CB GLN A 27 12.164 0.815 -2.508 1.00 0.00 C ATOM 357 CG GLN A 27 12.590 2.149 -3.098 1.00 0.00 C ATOM 358 CD GLN A 27 13.647 2.000 -4.175 1.00 0.00 C ATOM 359 OE1 GLN A 27 14.846 2.052 -3.896 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.209 1.814 -5.414 1.00 0.00 N ATOM 0 H GLN A 27 9.821 1.585 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 27 11.454 0.030 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.768 0.980 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.041 0.177 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.718 2.652 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.975 2.788 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.207 1.777 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.875 1.708 -6.180 1.00 0.00 H new ATOM 369 N ILE A 28 10.059 -1.493 -1.832 1.00 0.00 N ATOM 370 CA ILE A 28 9.794 -2.801 -1.246 1.00 0.00 C ATOM 371 C ILE A 28 9.002 -3.683 -2.205 1.00 0.00 C ATOM 372 O ILE A 28 9.123 -4.908 -2.181 1.00 0.00 O ATOM 373 CB ILE A 28 9.017 -2.677 0.079 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.897 -2.035 1.153 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.526 -4.043 0.534 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.110 -1.378 2.265 1.00 0.00 C ATOM 0 H ILE A 28 9.524 -0.729 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 28 10.763 -3.261 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 28 8.150 -2.037 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.548 -2.797 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.542 -1.290 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.979 -3.939 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.868 -4.465 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.379 -4.705 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.798 -0.944 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.478 -0.593 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.485 -2.123 2.758 1.00 0.00 H new ATOM 388 N ILE A 29 8.195 -3.052 -3.051 1.00 0.00 N ATOM 389 CA ILE A 29 7.386 -3.779 -4.021 1.00 0.00 C ATOM 390 C ILE A 29 8.252 -4.361 -5.133 1.00 0.00 C ATOM 391 O ILE A 29 8.116 -5.530 -5.492 1.00 0.00 O ATOM 392 CB ILE A 29 6.307 -2.875 -4.646 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.384 -2.320 -3.559 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.507 -3.645 -5.686 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.422 -1.267 -4.063 1.00 0.00 C ATOM 0 H ILE A 29 8.084 -2.039 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 29 6.899 -4.590 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 29 6.798 -2.038 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.815 -3.141 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.991 -1.893 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.749 -2.992 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.175 -3.996 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.023 -4.500 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.799 -0.919 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.984 -0.428 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.789 -1.695 -4.841 1.00 0.00 H new ATOM 407 N GLU A 30 9.144 -3.536 -5.673 1.00 0.00 N ATOM 408 CA GLU A 30 10.034 -3.970 -6.744 1.00 0.00 C ATOM 409 C GLU A 30 10.967 -5.077 -6.262 1.00 0.00 C ATOM 410 O GLU A 30 11.391 -5.930 -7.041 1.00 0.00 O ATOM 411 CB GLU A 30 10.854 -2.788 -7.266 1.00 0.00 C ATOM 412 CG GLU A 30 11.886 -2.278 -6.274 1.00 0.00 C ATOM 413 CD GLU A 30 13.072 -1.620 -6.953 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.988 -2.350 -7.384 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.083 -0.375 -7.053 1.00 0.00 O ATOM 0 H GLU A 30 9.269 -2.565 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 30 9.420 -4.364 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.361 -3.085 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.178 -1.973 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.415 -1.562 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.237 -3.108 -5.662 1.00 0.00 H new ATOM 422 N ASP A 31 11.283 -5.056 -4.971 1.00 0.00 N ATOM 423 CA ASP A 31 12.165 -6.057 -4.383 1.00 0.00 C ATOM 424 C ASP A 31 11.525 -7.441 -4.432 1.00 0.00 C ATOM 425 O ASP A 31 12.206 -8.444 -4.642 1.00 0.00 O ATOM 426 CB ASP A 31 12.500 -5.687 -2.938 1.00 0.00 C ATOM 427 CG ASP A 31 13.869 -6.183 -2.515 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.211 -7.337 -2.848 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.598 -5.417 -1.852 1.00 0.00 O ATOM 0 H ASP A 31 10.941 -4.356 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 31 13.086 -6.081 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.458 -4.604 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.744 -6.106 -2.274 1.00 0.00 H new ATOM 434 N ALA A 32 10.211 -7.487 -4.235 1.00 0.00 N ATOM 435 CA ALA A 32 9.479 -8.747 -4.258 1.00 0.00 C ATOM 436 C ALA A 32 9.728 -9.503 -5.558 1.00 0.00 C ATOM 437 O ALA A 32 9.855 -10.727 -5.562 1.00 0.00 O ATOM 438 CB ALA A 32 7.991 -8.496 -4.067 1.00 0.00 C ATOM 0 H ALA A 32 9.632 -6.666 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 32 9.840 -9.364 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.456 -9.446 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.825 -8.006 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.624 -7.857 -4.870 1.00 0.00 H new ATOM 444 N GLY A 33 9.795 -8.766 -6.663 1.00 0.00 N ATOM 445 CA GLY A 33 10.027 -9.385 -7.955 1.00 0.00 C ATOM 446 C GLY A 33 8.742 -9.827 -8.625 1.00 0.00 C ATOM 447 O GLY A 33 7.651 -9.450 -8.200 1.00 0.00 O ATOM 0 H GLY A 33 9.693 -7.751 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.548 -8.681 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.683 -10.247 -7.829 1.00 0.00 H new ATOM 451 N ASN A 34 8.870 -10.629 -9.677 1.00 0.00 N ATOM 452 CA ASN A 34 7.709 -11.122 -10.409 1.00 0.00 C ATOM 453 C ASN A 34 6.667 -11.695 -9.454 1.00 0.00 C ATOM 454 O ASN A 34 5.474 -11.419 -9.580 1.00 0.00 O ATOM 455 CB ASN A 34 8.133 -12.189 -11.420 1.00 0.00 C ATOM 456 CG ASN A 34 9.222 -11.701 -12.355 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.142 -10.996 -11.940 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.121 -12.073 -13.626 1.00 0.00 N ATOM 0 H ASN A 34 9.766 -10.951 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 34 7.264 -10.282 -10.943 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.485 -13.072 -10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.266 -12.496 -12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.823 -11.774 -14.302 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.341 -12.658 -13.926 1.00 0.00 H new ATOM 465 N LYS A 35 7.126 -12.494 -8.497 1.00 0.00 N ATOM 466 CA LYS A 35 6.235 -13.105 -7.518 1.00 0.00 C ATOM 467 C LYS A 35 5.278 -12.072 -6.933 1.00 0.00 C ATOM 468 O LYS A 35 4.099 -12.354 -6.719 1.00 0.00 O ATOM 469 CB LYS A 35 7.047 -13.757 -6.396 1.00 0.00 C ATOM 470 CG LYS A 35 7.548 -15.149 -6.737 1.00 0.00 C ATOM 471 CD LYS A 35 7.816 -15.968 -5.485 1.00 0.00 C ATOM 472 CE LYS A 35 8.685 -17.179 -5.786 1.00 0.00 C ATOM 473 NZ LYS A 35 10.053 -16.785 -6.223 1.00 0.00 N ATOM 0 H LYS A 35 8.110 -12.734 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 35 5.648 -13.870 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.900 -13.121 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.431 -13.811 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.811 -15.660 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.462 -15.073 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.307 -15.343 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.870 -16.296 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.754 -17.806 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.214 -17.780 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.710 -17.575 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.039 -16.547 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.367 -15.957 -5.677 1.00 0.00 H new ATOM 487 N GLY A 36 5.792 -10.873 -6.677 1.00 0.00 N ATOM 488 CA GLY A 36 4.969 -9.815 -6.121 1.00 0.00 C ATOM 489 C GLY A 36 5.024 -9.773 -4.607 1.00 0.00 C ATOM 490 O GLY A 36 5.832 -10.467 -3.989 1.00 0.00 O ATOM 0 H GLY A 36 6.765 -10.615 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.298 -8.855 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.936 -9.956 -6.440 1.00 0.00 H new ATOM 494 N ILE A 37 4.164 -8.956 -4.007 1.00 0.00 N ATOM 495 CA ILE A 37 4.119 -8.826 -2.556 1.00 0.00 C ATOM 496 C ILE A 37 2.695 -8.581 -2.070 1.00 0.00 C ATOM 497 O ILE A 37 1.862 -8.047 -2.803 1.00 0.00 O ATOM 498 CB ILE A 37 5.022 -7.679 -2.066 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.092 -7.674 -0.537 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.509 -6.343 -2.582 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.027 -6.625 0.022 1.00 0.00 C ATOM 0 H ILE A 37 3.489 -8.374 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 37 4.484 -9.766 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 37 6.027 -7.835 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.092 -7.508 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.414 -8.657 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.158 -5.542 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.506 -6.351 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.495 -6.177 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.026 -6.680 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.036 -6.802 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.693 -5.636 -0.292 1.00 0.00 H new ATOM 513 N TRP A 38 2.423 -8.973 -0.831 1.00 0.00 N ATOM 514 CA TRP A 38 1.099 -8.794 -0.246 1.00 0.00 C ATOM 515 C TRP A 38 0.989 -7.441 0.448 1.00 0.00 C ATOM 516 O TRP A 38 1.898 -7.027 1.169 1.00 0.00 O ATOM 517 CB TRP A 38 0.802 -9.917 0.749 1.00 0.00 C ATOM 518 CG TRP A 38 -0.663 -10.149 0.963 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.658 -10.008 0.039 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.296 -10.563 2.179 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.873 -10.308 0.607 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.678 -10.652 1.919 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.831 -10.868 3.460 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.596 -11.033 2.894 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.743 -11.245 4.428 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.112 -11.326 4.141 1.00 0.00 C ATOM 0 H TRP A 38 3.101 -9.417 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 38 0.366 -8.829 -1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.260 -10.839 0.392 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.268 -9.678 1.705 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.512 -9.705 -0.987 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.774 -10.279 0.129 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.223 -10.810 3.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.652 -11.095 2.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.394 -11.481 5.423 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.799 -11.625 4.919 1.00 0.00 H new ATOM 537 N SER A 39 -0.128 -6.756 0.227 1.00 0.00 N ATOM 538 CA SER A 39 -0.354 -5.447 0.829 1.00 0.00 C ATOM 539 C SER A 39 0.107 -5.431 2.283 1.00 0.00 C ATOM 540 O SER A 39 0.655 -4.437 2.761 1.00 0.00 O ATOM 541 CB SER A 39 -1.836 -5.074 0.749 1.00 0.00 C ATOM 542 OG SER A 39 -2.161 -4.068 1.692 1.00 0.00 O ATOM 0 H SER A 39 -0.891 -7.086 -0.365 1.00 0.00 H new ATOM 0 HA SER A 39 0.229 -4.713 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.072 -4.725 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.447 -5.958 0.931 1.00 0.00 H new ATOM 0 HG SER A 39 -3.113 -3.847 1.619 1.00 0.00 H new ATOM 548 N ARG A 40 -0.118 -6.539 2.981 1.00 0.00 N ATOM 549 CA ARG A 40 0.273 -6.653 4.381 1.00 0.00 C ATOM 550 C ARG A 40 1.793 -6.680 4.521 1.00 0.00 C ATOM 551 O ARG A 40 2.382 -5.815 5.168 1.00 0.00 O ATOM 552 CB ARG A 40 -0.329 -7.916 5.000 1.00 0.00 C ATOM 553 CG ARG A 40 -1.746 -7.725 5.516 1.00 0.00 C ATOM 554 CD ARG A 40 -2.768 -7.857 4.398 1.00 0.00 C ATOM 555 NE ARG A 40 -4.105 -7.458 4.830 1.00 0.00 N ATOM 556 CZ ARG A 40 -5.177 -7.512 4.047 1.00 0.00 C ATOM 557 NH1 ARG A 40 -5.069 -7.947 2.799 1.00 0.00 N ATOM 558 NH2 ARG A 40 -6.360 -7.132 4.512 1.00 0.00 N ATOM 0 H ARG A 40 -0.569 -7.371 2.600 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.108 -5.780 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.327 -8.712 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.307 -8.246 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.955 -8.463 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.836 -6.742 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.462 -7.242 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.793 -8.889 4.049 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.222 -7.119 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.161 -8.241 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.894 -7.988 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.447 -6.798 5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.182 -7.174 3.910 1.00 0.00 H new ATOM 572 N ASP A 41 2.420 -7.679 3.910 1.00 0.00 N ATOM 573 CA ASP A 41 3.870 -7.819 3.965 1.00 0.00 C ATOM 574 C ASP A 41 4.551 -6.457 3.876 1.00 0.00 C ATOM 575 O ASP A 41 5.665 -6.275 4.368 1.00 0.00 O ATOM 576 CB ASP A 41 4.360 -8.723 2.833 1.00 0.00 C ATOM 577 CG ASP A 41 4.174 -10.195 3.146 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.289 -10.520 3.965 1.00 0.00 O ATOM 579 OD2 ASP A 41 4.912 -11.023 2.571 1.00 0.00 O ATOM 0 H ASP A 41 1.947 -8.404 3.371 1.00 0.00 H new ATOM 0 HA ASP A 41 4.130 -8.274 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.821 -8.478 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.415 -8.525 2.645 1.00 0.00 H new ATOM 584 N VAL A 42 3.875 -5.503 3.244 1.00 0.00 N ATOM 585 CA VAL A 42 4.415 -4.158 3.090 1.00 0.00 C ATOM 586 C VAL A 42 4.314 -3.373 4.393 1.00 0.00 C ATOM 587 O VAL A 42 5.305 -2.825 4.878 1.00 0.00 O ATOM 588 CB VAL A 42 3.682 -3.383 1.979 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.311 -2.012 1.779 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.690 -4.177 0.682 1.00 0.00 C ATOM 0 H VAL A 42 2.952 -5.637 2.830 1.00 0.00 H new ATOM 0 HA VAL A 42 5.464 -4.268 2.815 1.00 0.00 H new ATOM 0 HB VAL A 42 2.645 -3.239 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.780 -1.479 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.247 -1.444 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.357 -2.129 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.168 -3.615 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.719 -4.354 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.189 -5.132 0.837 1.00 0.00 H new ATOM 600 N ARG A 43 3.111 -3.323 4.956 1.00 0.00 N ATOM 601 CA ARG A 43 2.881 -2.604 6.203 1.00 0.00 C ATOM 602 C ARG A 43 4.095 -2.706 7.122 1.00 0.00 C ATOM 603 O ARG A 43 4.527 -1.713 7.708 1.00 0.00 O ATOM 604 CB ARG A 43 1.643 -3.156 6.913 1.00 0.00 C ATOM 605 CG ARG A 43 0.352 -2.460 6.516 1.00 0.00 C ATOM 606 CD ARG A 43 -0.756 -2.722 7.524 1.00 0.00 C ATOM 607 NE ARG A 43 -0.409 -2.236 8.857 1.00 0.00 N ATOM 608 CZ ARG A 43 -0.976 -2.682 9.972 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.912 -3.619 9.915 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.607 -2.191 11.148 1.00 0.00 N ATOM 0 H ARG A 43 2.281 -3.772 4.568 1.00 0.00 H new ATOM 0 HA ARG A 43 2.716 -1.554 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.554 -4.220 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.780 -3.062 7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.526 -1.387 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.039 -2.807 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.673 -2.238 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.959 -3.792 7.570 1.00 0.00 H new ATOM 0 HE ARG A 43 0.308 -1.515 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.199 -3.999 9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.346 -3.960 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.113 -1.470 11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.043 -2.534 12.004 1.00 0.00 H new ATOM 624 N TYR A 44 4.640 -3.911 7.242 1.00 0.00 N ATOM 625 CA TYR A 44 5.802 -4.143 8.091 1.00 0.00 C ATOM 626 C TYR A 44 7.051 -3.503 7.493 1.00 0.00 C ATOM 627 O TYR A 44 7.735 -2.717 8.148 1.00 0.00 O ATOM 628 CB TYR A 44 6.027 -5.644 8.284 1.00 0.00 C ATOM 629 CG TYR A 44 4.746 -6.443 8.368 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.112 -6.899 7.218 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.170 -6.742 9.596 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.942 -7.628 7.290 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.000 -7.472 9.677 1.00 0.00 C ATOM 634 CZ TYR A 44 2.389 -7.912 8.522 1.00 0.00 C ATOM 635 OH TYR A 44 1.224 -8.640 8.597 1.00 0.00 O ATOM 0 H TYR A 44 4.296 -4.742 6.762 1.00 0.00 H new ATOM 0 HA TYR A 44 5.609 -3.683 9.060 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.627 -6.022 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.604 -5.802 9.195 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.542 -6.679 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.645 -6.398 10.503 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.462 -7.974 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.566 -7.697 10.640 1.00 0.00 H new ATOM 0 HH TYR A 44 0.969 -8.753 9.536 1.00 0.00 H new ATOM 645 N LYS A 45 7.341 -3.845 6.242 1.00 0.00 N ATOM 646 CA LYS A 45 8.506 -3.304 5.551 1.00 0.00 C ATOM 647 C LYS A 45 8.449 -1.781 5.500 1.00 0.00 C ATOM 648 O LYS A 45 9.318 -1.099 6.044 1.00 0.00 O ATOM 649 CB LYS A 45 8.590 -3.869 4.131 1.00 0.00 C ATOM 650 CG LYS A 45 8.875 -5.361 4.087 1.00 0.00 C ATOM 651 CD LYS A 45 10.034 -5.735 4.996 1.00 0.00 C ATOM 652 CE LYS A 45 10.623 -7.086 4.620 1.00 0.00 C ATOM 653 NZ LYS A 45 11.700 -7.502 5.560 1.00 0.00 N ATOM 0 H LYS A 45 6.785 -4.495 5.686 1.00 0.00 H new ATOM 0 HA LYS A 45 9.396 -3.599 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.651 -3.671 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.372 -3.342 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.984 -5.912 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.103 -5.659 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.808 -4.970 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.693 -5.761 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.834 -7.838 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.023 -7.039 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.076 -8.427 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.465 -6.798 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.313 -7.572 6.523 1.00 0.00 H new ATOM 667 N SER A 46 7.420 -1.253 4.845 1.00 0.00 N ATOM 668 CA SER A 46 7.252 0.191 4.721 1.00 0.00 C ATOM 669 C SER A 46 7.088 0.838 6.093 1.00 0.00 C ATOM 670 O SER A 46 7.125 2.060 6.223 1.00 0.00 O ATOM 671 CB SER A 46 6.039 0.511 3.846 1.00 0.00 C ATOM 672 OG SER A 46 4.861 -0.077 4.371 1.00 0.00 O ATOM 0 H SER A 46 6.690 -1.803 4.392 1.00 0.00 H new ATOM 0 HA SER A 46 8.148 0.597 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.911 1.591 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.211 0.146 2.833 1.00 0.00 H new ATOM 0 HG SER A 46 5.038 -1.013 4.603 1.00 0.00 H new ATOM 678 N ASN A 47 6.906 0.007 7.115 1.00 0.00 N ATOM 679 CA ASN A 47 6.736 0.497 8.478 1.00 0.00 C ATOM 680 C ASN A 47 5.650 1.566 8.539 1.00 0.00 C ATOM 681 O ASN A 47 5.728 2.501 9.338 1.00 0.00 O ATOM 682 CB ASN A 47 8.055 1.062 9.007 1.00 0.00 C ATOM 683 CG ASN A 47 8.038 1.257 10.511 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.719 0.337 11.264 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.383 2.460 10.956 1.00 0.00 N ATOM 0 H ASN A 47 6.873 -1.008 7.025 1.00 0.00 H new ATOM 0 HA ASN A 47 6.431 -0.341 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.869 0.388 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.259 2.016 8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.391 2.650 11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.640 3.194 10.296 1.00 0.00 H new ATOM 692 N LEU A 48 4.637 1.423 7.692 1.00 0.00 N ATOM 693 CA LEU A 48 3.533 2.376 7.650 1.00 0.00 C ATOM 694 C LEU A 48 2.210 1.692 7.975 1.00 0.00 C ATOM 695 O LEU A 48 2.046 0.485 7.796 1.00 0.00 O ATOM 696 CB LEU A 48 3.455 3.035 6.271 1.00 0.00 C ATOM 697 CG LEU A 48 4.510 4.101 5.976 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.585 4.379 4.483 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.206 5.380 6.744 1.00 0.00 C ATOM 0 H LEU A 48 4.557 0.656 7.025 1.00 0.00 H new ATOM 0 HA LEU A 48 3.718 3.142 8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.533 2.256 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.470 3.488 6.162 1.00 0.00 H new ATOM 0 HG LEU A 48 5.479 3.726 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.341 5.140 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.851 3.463 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.617 4.733 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.967 6.128 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.228 5.759 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.205 5.170 7.814 1.00 0.00 H new ATOM 711 N PRO A 49 1.240 2.480 8.463 1.00 0.00 N ATOM 712 CA PRO A 49 -0.088 1.972 8.820 1.00 0.00 C ATOM 713 C PRO A 49 -0.901 1.562 7.597 1.00 0.00 C ATOM 714 O PRO A 49 -0.672 2.058 6.493 1.00 0.00 O ATOM 715 CB PRO A 49 -0.745 3.162 9.525 1.00 0.00 C ATOM 716 CG PRO A 49 -0.050 4.359 8.974 1.00 0.00 C ATOM 717 CD PRO A 49 1.365 3.928 8.701 1.00 0.00 C ATOM 0 HA PRO A 49 -0.029 1.074 9.435 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.816 3.199 9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.625 3.097 10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.535 4.706 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.076 5.186 9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.782 4.443 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.020 4.141 9.545 1.00 0.00 H new ATOM 725 N LEU A 50 -1.851 0.656 7.800 1.00 0.00 N ATOM 726 CA LEU A 50 -2.699 0.180 6.713 1.00 0.00 C ATOM 727 C LEU A 50 -3.215 1.345 5.875 1.00 0.00 C ATOM 728 O LEU A 50 -3.096 1.344 4.649 1.00 0.00 O ATOM 729 CB LEU A 50 -3.875 -0.623 7.272 1.00 0.00 C ATOM 730 CG LEU A 50 -4.772 -1.306 6.239 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.804 -0.328 5.698 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.937 -1.884 5.106 1.00 0.00 C ATOM 0 H LEU A 50 -2.053 0.236 8.707 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.099 -0.466 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.482 -1.386 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.491 0.044 7.874 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.299 -2.125 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.433 -0.832 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.423 0.038 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.296 0.512 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.592 -2.366 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.382 -1.083 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.238 -2.618 5.507 1.00 0.00 H new ATOM 744 N THR A 51 -3.789 2.340 6.544 1.00 0.00 N ATOM 745 CA THR A 51 -4.322 3.512 5.862 1.00 0.00 C ATOM 746 C THR A 51 -3.284 4.126 4.930 1.00 0.00 C ATOM 747 O THR A 51 -3.630 4.777 3.945 1.00 0.00 O ATOM 748 CB THR A 51 -4.791 4.582 6.866 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.442 5.653 6.174 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.615 5.128 7.663 1.00 0.00 C ATOM 0 H THR A 51 -3.897 2.357 7.558 1.00 0.00 H new ATOM 0 HA THR A 51 -5.177 3.174 5.276 1.00 0.00 H new ATOM 0 HB THR A 51 -5.494 4.116 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.738 6.328 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.970 5.882 8.365 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.139 4.316 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.892 5.578 6.983 1.00 0.00 H new ATOM 758 N GLU A 52 -2.011 3.914 5.248 1.00 0.00 N ATOM 759 CA GLU A 52 -0.922 4.448 4.438 1.00 0.00 C ATOM 760 C GLU A 52 -0.569 3.491 3.303 1.00 0.00 C ATOM 761 O GLU A 52 -0.323 3.915 2.174 1.00 0.00 O ATOM 762 CB GLU A 52 0.311 4.705 5.306 1.00 0.00 C ATOM 763 CG GLU A 52 0.309 6.068 5.978 1.00 0.00 C ATOM 764 CD GLU A 52 0.328 7.210 4.981 1.00 0.00 C ATOM 765 OE1 GLU A 52 0.894 7.029 3.882 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.223 8.285 5.298 1.00 0.00 O ATOM 0 H GLU A 52 -1.708 3.377 6.060 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.254 5.391 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.373 3.932 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.205 4.615 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.575 6.156 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.177 6.148 6.632 1.00 0.00 H new ATOM 773 N ILE A 53 -0.545 2.199 3.613 1.00 0.00 N ATOM 774 CA ILE A 53 -0.223 1.182 2.620 1.00 0.00 C ATOM 775 C ILE A 53 -1.290 1.117 1.532 1.00 0.00 C ATOM 776 O ILE A 53 -0.995 0.814 0.377 1.00 0.00 O ATOM 777 CB ILE A 53 -0.078 -0.209 3.265 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.280 -0.335 3.959 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.247 -1.299 2.218 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.491 0.679 5.061 1.00 0.00 C ATOM 0 H ILE A 53 -0.745 1.832 4.544 1.00 0.00 H new ATOM 0 HA ILE A 53 0.730 1.468 2.174 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.860 -0.328 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.374 -1.338 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.070 -0.223 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.142 -2.276 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.236 -1.219 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.515 -1.184 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.474 0.531 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.429 1.685 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.722 0.553 5.824 1.00 0.00 H new ATOM 792 N ASN A 54 -2.531 1.405 1.911 1.00 0.00 N ATOM 793 CA ASN A 54 -3.642 1.381 0.967 1.00 0.00 C ATOM 794 C ASN A 54 -3.530 2.526 -0.036 1.00 0.00 C ATOM 795 O ASN A 54 -3.575 2.311 -1.247 1.00 0.00 O ATOM 796 CB ASN A 54 -4.975 1.472 1.714 1.00 0.00 C ATOM 797 CG ASN A 54 -5.526 0.108 2.081 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.653 -0.777 2.549 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.723 -0.147 1.946 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.792 1.657 2.864 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.602 0.438 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.841 2.063 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.700 1.999 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.358 0.564 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.080 -1.069 2.198 1.00 0.00 H new ATOM 806 N LYS A 55 -3.382 3.742 0.477 1.00 0.00 N ATOM 807 CA LYS A 55 -3.261 4.922 -0.371 1.00 0.00 C ATOM 808 C LYS A 55 -1.972 4.876 -1.185 1.00 0.00 C ATOM 809 O LYS A 55 -1.956 5.243 -2.361 1.00 0.00 O ATOM 810 CB LYS A 55 -3.295 6.193 0.479 1.00 0.00 C ATOM 811 CG LYS A 55 -1.978 6.495 1.174 1.00 0.00 C ATOM 812 CD LYS A 55 -1.969 7.894 1.768 1.00 0.00 C ATOM 813 CE LYS A 55 -3.074 8.070 2.798 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.221 9.491 3.217 1.00 0.00 N ATOM 0 H LYS A 55 -3.343 3.937 1.477 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.106 4.932 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.563 7.038 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.079 6.097 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.805 5.763 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.159 6.396 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.002 8.086 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.092 8.629 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.017 7.714 2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.858 7.455 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.984 9.569 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.329 9.823 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.453 10.075 2.388 1.00 0.00 H new ATOM 828 N ILE A 56 -0.894 4.422 -0.553 1.00 0.00 N ATOM 829 CA ILE A 56 0.398 4.326 -1.221 1.00 0.00 C ATOM 830 C ILE A 56 0.373 3.268 -2.318 1.00 0.00 C ATOM 831 O ILE A 56 0.679 3.551 -3.477 1.00 0.00 O ATOM 832 CB ILE A 56 1.523 3.990 -0.224 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.754 5.162 0.732 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.804 3.645 -0.968 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.267 4.741 2.091 1.00 0.00 C ATOM 0 H ILE A 56 -0.890 4.115 0.420 1.00 0.00 H new ATOM 0 HA ILE A 56 0.597 5.301 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 56 1.222 3.122 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.467 5.853 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.819 5.707 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.590 3.410 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.630 2.782 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.111 4.495 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.408 5.623 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.545 4.074 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.219 4.222 1.976 1.00 0.00 H new ATOM 847 N LEU A 57 0.005 2.047 -1.946 1.00 0.00 N ATOM 848 CA LEU A 57 -0.063 0.944 -2.899 1.00 0.00 C ATOM 849 C LEU A 57 -0.855 1.344 -4.139 1.00 0.00 C ATOM 850 O LEU A 57 -0.489 0.996 -5.262 1.00 0.00 O ATOM 851 CB LEU A 57 -0.702 -0.282 -2.245 1.00 0.00 C ATOM 852 CG LEU A 57 0.204 -1.102 -1.325 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.563 -2.268 -0.722 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.425 -1.600 -2.085 1.00 0.00 C ATOM 0 H LEU A 57 -0.251 1.795 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 57 0.954 0.697 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.567 0.048 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.074 -0.937 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 57 0.544 -0.459 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.098 -2.840 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.405 -1.889 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.932 -2.912 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.058 -2.181 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.105 -2.227 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.987 -0.748 -2.468 1.00 0.00 H new ATOM 866 N LYS A 58 -1.941 2.080 -3.930 1.00 0.00 N ATOM 867 CA LYS A 58 -2.784 2.532 -5.030 1.00 0.00 C ATOM 868 C LYS A 58 -2.099 3.644 -5.819 1.00 0.00 C ATOM 869 O LYS A 58 -1.854 3.508 -7.016 1.00 0.00 O ATOM 870 CB LYS A 58 -4.132 3.024 -4.499 1.00 0.00 C ATOM 871 CG LYS A 58 -5.279 2.828 -5.475 1.00 0.00 C ATOM 872 CD LYS A 58 -5.952 1.480 -5.280 1.00 0.00 C ATOM 873 CE LYS A 58 -7.205 1.354 -6.133 1.00 0.00 C ATOM 874 NZ LYS A 58 -6.883 0.996 -7.542 1.00 0.00 N ATOM 0 H LYS A 58 -2.258 2.377 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.951 1.687 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.361 2.499 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.052 4.083 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.011 3.624 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.906 2.905 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.254 0.683 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.211 1.350 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.860 0.595 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.754 2.296 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.763 0.920 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.279 1.733 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.382 0.085 -7.563 1.00 0.00 H new ATOM 888 N ASN A 59 -1.793 4.744 -5.138 1.00 0.00 N ATOM 889 CA ASN A 59 -1.135 5.879 -5.775 1.00 0.00 C ATOM 890 C ASN A 59 -0.151 5.409 -6.842 1.00 0.00 C ATOM 891 O ASN A 59 -0.216 5.839 -7.994 1.00 0.00 O ATOM 892 CB ASN A 59 -0.406 6.725 -4.729 1.00 0.00 C ATOM 893 CG ASN A 59 -1.284 7.822 -4.159 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.669 8.755 -4.864 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.604 7.715 -2.874 1.00 0.00 N ATOM 0 H ASN A 59 -1.990 4.873 -4.146 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.900 6.488 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.063 6.081 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.481 7.170 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.191 8.423 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.262 6.924 -2.327 1.00 0.00 H new ATOM 902 N LEU A 60 0.759 4.524 -6.451 1.00 0.00 N ATOM 903 CA LEU A 60 1.757 3.995 -7.373 1.00 0.00 C ATOM 904 C LEU A 60 1.094 3.407 -8.615 1.00 0.00 C ATOM 905 O LEU A 60 1.506 3.686 -9.740 1.00 0.00 O ATOM 906 CB LEU A 60 2.605 2.926 -6.680 1.00 0.00 C ATOM 907 CG LEU A 60 3.524 3.420 -5.563 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.085 2.246 -4.775 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.651 4.267 -6.135 1.00 0.00 C ATOM 0 H LEU A 60 0.826 4.158 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 60 2.402 4.818 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.936 2.172 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.216 2.430 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 60 2.938 4.040 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.737 2.617 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.265 1.679 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.655 1.599 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.295 4.610 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.235 3.670 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.231 5.128 -6.654 1.00 0.00 H new ATOM 921 N GLU A 61 0.063 2.595 -8.401 1.00 0.00 N ATOM 922 CA GLU A 61 -0.657 1.970 -9.503 1.00 0.00 C ATOM 923 C GLU A 61 -1.158 3.020 -10.491 1.00 0.00 C ATOM 924 O GLU A 61 -1.530 2.699 -11.620 1.00 0.00 O ATOM 925 CB GLU A 61 -1.836 1.151 -8.972 1.00 0.00 C ATOM 926 CG GLU A 61 -1.425 -0.170 -8.345 1.00 0.00 C ATOM 927 CD GLU A 61 -2.615 -1.025 -7.952 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.675 -0.450 -7.626 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.487 -2.266 -7.971 1.00 0.00 O ATOM 0 H GLU A 61 -0.292 2.355 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 61 0.033 1.306 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.375 1.743 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.529 0.955 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.801 -0.723 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.815 0.025 -7.463 1.00 0.00 H new ATOM 936 N SER A 62 -1.164 4.276 -10.057 1.00 0.00 N ATOM 937 CA SER A 62 -1.622 5.374 -10.901 1.00 0.00 C ATOM 938 C SER A 62 -0.460 5.981 -11.682 1.00 0.00 C ATOM 939 O SER A 62 -0.646 6.532 -12.767 1.00 0.00 O ATOM 940 CB SER A 62 -2.297 6.451 -10.050 1.00 0.00 C ATOM 941 OG SER A 62 -3.267 7.161 -10.801 1.00 0.00 O ATOM 0 H SER A 62 -0.857 4.559 -9.126 1.00 0.00 H new ATOM 0 HA SER A 62 -2.346 4.976 -11.612 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.770 5.990 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.546 7.145 -9.673 1.00 0.00 H new ATOM 0 HG SER A 62 -3.685 7.842 -10.234 1.00 0.00 H new ATOM 947 N LYS A 63 0.740 5.875 -11.122 1.00 0.00 N ATOM 948 CA LYS A 63 1.935 6.411 -11.763 1.00 0.00 C ATOM 949 C LYS A 63 2.547 5.388 -12.715 1.00 0.00 C ATOM 950 O LYS A 63 3.686 5.539 -13.156 1.00 0.00 O ATOM 951 CB LYS A 63 2.964 6.823 -10.709 1.00 0.00 C ATOM 952 CG LYS A 63 2.419 7.788 -9.670 1.00 0.00 C ATOM 953 CD LYS A 63 3.257 7.776 -8.403 1.00 0.00 C ATOM 954 CE LYS A 63 3.233 9.127 -7.706 1.00 0.00 C ATOM 955 NZ LYS A 63 3.808 10.203 -8.560 1.00 0.00 N ATOM 0 H LYS A 63 0.911 5.422 -10.224 1.00 0.00 H new ATOM 0 HA LYS A 63 1.644 7.289 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.333 5.930 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.818 7.283 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.398 8.796 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.390 7.521 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.882 7.009 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.285 7.510 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.206 9.382 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.794 9.065 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.210 10.948 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.556 9.805 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.060 10.608 -9.158 1.00 0.00 H new ATOM 969 N LYS A 64 1.783 4.347 -13.028 1.00 0.00 N ATOM 970 CA LYS A 64 2.248 3.300 -13.929 1.00 0.00 C ATOM 971 C LYS A 64 3.536 2.668 -13.410 1.00 0.00 C ATOM 972 O LYS A 64 4.374 2.211 -14.189 1.00 0.00 O ATOM 973 CB LYS A 64 2.477 3.869 -15.331 1.00 0.00 C ATOM 974 CG LYS A 64 1.193 4.247 -16.050 1.00 0.00 C ATOM 975 CD LYS A 64 1.411 5.406 -17.008 1.00 0.00 C ATOM 976 CE LYS A 64 0.214 5.603 -17.926 1.00 0.00 C ATOM 977 NZ LYS A 64 0.352 6.829 -18.760 1.00 0.00 N ATOM 0 H LYS A 64 0.838 4.206 -12.670 1.00 0.00 H new ATOM 0 HA LYS A 64 1.479 2.529 -13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.115 4.750 -15.257 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.016 3.134 -15.929 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.816 3.385 -16.600 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.431 4.517 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.590 6.319 -16.441 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.303 5.222 -17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.106 4.733 -18.574 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.695 5.670 -17.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.483 6.928 -19.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.430 7.662 -18.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.206 6.754 -19.349 1.00 0.00 H new ATOM 991 N LEU A 65 3.687 2.643 -12.090 1.00 0.00 N ATOM 992 CA LEU A 65 4.873 2.065 -11.467 1.00 0.00 C ATOM 993 C LEU A 65 4.626 0.613 -11.070 1.00 0.00 C ATOM 994 O LEU A 65 5.497 -0.242 -11.234 1.00 0.00 O ATOM 995 CB LEU A 65 5.275 2.880 -10.236 1.00 0.00 C ATOM 996 CG LEU A 65 5.528 4.370 -10.472 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.595 5.116 -9.148 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.809 4.574 -11.267 1.00 0.00 C ATOM 0 H LEU A 65 3.004 3.016 -11.431 1.00 0.00 H new ATOM 0 HA LEU A 65 5.685 2.091 -12.194 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.490 2.779 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.179 2.441 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 65 4.697 4.773 -11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.776 6.174 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.651 4.998 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.406 4.711 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.973 5.640 -11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.650 4.156 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.723 4.073 -12.231 1.00 0.00 H new ATOM 1010 N ILE A 66 3.434 0.341 -10.550 1.00 0.00 N ATOM 1011 CA ILE A 66 3.073 -1.008 -10.133 1.00 0.00 C ATOM 1012 C ILE A 66 1.640 -1.342 -10.536 1.00 0.00 C ATOM 1013 O ILE A 66 0.921 -0.499 -11.072 1.00 0.00 O ATOM 1014 CB ILE A 66 3.220 -1.186 -8.610 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.174 -0.347 -7.873 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.624 -0.802 -8.166 1.00 0.00 C ATOM 1017 CD1 ILE A 66 2.071 -0.669 -6.399 1.00 0.00 C ATOM 0 H ILE A 66 2.702 1.037 -10.407 1.00 0.00 H new ATOM 0 HA ILE A 66 3.759 -1.688 -10.638 1.00 0.00 H new ATOM 0 HB ILE A 66 3.056 -2.235 -8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.419 0.709 -7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.201 -0.502 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.713 -0.933 -7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.352 -1.438 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.814 0.240 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.311 -0.037 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.796 -1.716 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.032 -0.487 -5.919 1.00 0.00 H new ATOM 1029 N LYS A 67 1.231 -2.578 -10.273 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.117 -3.025 -10.604 1.00 0.00 C ATOM 1031 C LYS A 67 -0.602 -4.075 -9.610 1.00 0.00 C ATOM 1032 O LYS A 67 0.191 -4.653 -8.867 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.152 -3.597 -12.023 1.00 0.00 C ATOM 1034 CG LYS A 67 0.922 -4.639 -12.286 1.00 0.00 C ATOM 1035 CD LYS A 67 0.668 -5.386 -13.585 1.00 0.00 C ATOM 1036 CE LYS A 67 1.272 -6.781 -13.553 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.552 -7.719 -14.457 1.00 0.00 N ATOM 0 H LYS A 67 1.814 -3.289 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.782 -2.163 -10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.130 -4.043 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.038 -2.782 -12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.898 -4.155 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.954 -5.347 -11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.405 -5.457 -13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.091 -4.824 -14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.321 -6.729 -13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.243 -7.166 -12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.995 -8.659 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.443 -7.789 -14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.601 -7.366 -15.434 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.909 -4.318 -9.603 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.498 -5.301 -8.702 1.00 0.00 C ATOM 1053 C ALA A 68 -2.693 -6.640 -9.403 1.00 0.00 C ATOM 1054 O ALA A 68 -3.395 -6.729 -10.411 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.824 -4.789 -8.158 1.00 0.00 C ATOM 0 H ALA A 68 -2.580 -3.848 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.811 -5.454 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.253 -5.533 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.659 -3.860 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.511 -4.607 -8.985 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.067 -7.682 -8.864 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.173 -9.018 -9.438 1.00 0.00 C ATOM 1063 C VAL A 69 -2.657 -10.025 -8.401 1.00 0.00 C ATOM 1064 O VAL A 69 -2.405 -9.872 -7.206 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.822 -9.492 -10.007 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.933 -10.917 -10.530 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.345 -8.550 -11.102 1.00 0.00 C ATOM 0 H VAL A 69 -1.481 -7.626 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.900 -8.958 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.086 -9.481 -9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.031 -11.235 -10.928 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.227 -11.581 -9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.683 -10.957 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.611 -8.900 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.079 -8.527 -11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.224 -7.547 -10.692 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.990 -8.857 -4.430 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.547 -8.722 -4.590 1.00 0.00 C ATOM 1225 C VAL A 79 -0.200 -7.525 -5.468 1.00 0.00 C ATOM 1226 O VAL A 79 -0.935 -7.190 -6.398 1.00 0.00 O ATOM 1227 CB VAL A 79 0.070 -9.992 -5.206 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.583 -9.981 -5.050 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.531 -11.238 -4.571 1.00 0.00 C ATOM 0 HA VAL A 79 -0.131 -8.570 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.161 -10.007 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.001 -10.886 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.995 -9.107 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.839 -9.942 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.084 -12.126 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.333 -11.232 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.608 -11.250 -4.740 1.00 0.00 H new ATOM 1239 N TYR A 80 0.924 -6.884 -5.168 1.00 0.00 N ATOM 1240 CA TYR A 80 1.368 -5.723 -5.929 1.00 0.00 C ATOM 1241 C TYR A 80 2.779 -5.931 -6.469 1.00 0.00 C ATOM 1242 O TYR A 80 3.715 -6.179 -5.709 1.00 0.00 O ATOM 1243 CB TYR A 80 1.324 -4.468 -5.056 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.076 -4.048 -4.668 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.710 -4.607 -3.565 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.766 -3.093 -5.405 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -1.989 -4.228 -3.207 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.045 -2.707 -5.054 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.652 -3.277 -3.955 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.926 -2.895 -3.603 1.00 0.00 O ATOM 0 H TYR A 80 1.544 -7.149 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 80 0.691 -5.594 -6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.905 -4.645 -4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.806 -3.648 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.193 -5.351 -2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.294 -2.645 -6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.467 -4.673 -2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.567 -1.963 -5.637 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.250 -2.216 -4.232 1.00 0.00 H new ATOM 1260 N MET A 81 2.923 -5.828 -7.786 1.00 0.00 N ATOM 1261 CA MET A 81 4.221 -6.004 -8.428 1.00 0.00 C ATOM 1262 C MET A 81 4.454 -4.930 -9.486 1.00 0.00 C ATOM 1263 O MET A 81 3.505 -4.340 -10.005 1.00 0.00 O ATOM 1264 CB MET A 81 4.315 -7.392 -9.064 1.00 0.00 C ATOM 1265 CG MET A 81 3.714 -7.464 -10.458 1.00 0.00 C ATOM 1266 SD MET A 81 3.868 -9.101 -11.198 1.00 0.00 S ATOM 1267 CE MET A 81 2.792 -10.057 -10.132 1.00 0.00 C ATOM 0 H MET A 81 2.158 -5.624 -8.429 1.00 0.00 H new ATOM 0 HA MET A 81 4.992 -5.910 -7.664 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.362 -7.690 -9.113 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.809 -8.112 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.660 -7.189 -10.410 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.205 -6.732 -11.099 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.370 -10.890 -10.694 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.364 -10.441 -9.288 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.986 -9.422 -9.765 1.00 0.00 H new ATOM 1277 N LEU A 82 5.720 -4.681 -9.801 1.00 0.00 N ATOM 1278 CA LEU A 82 6.077 -3.677 -10.798 1.00 0.00 C ATOM 1279 C LEU A 82 5.079 -3.677 -11.952 1.00 0.00 C ATOM 1280 O LEU A 82 4.495 -4.709 -12.281 1.00 0.00 O ATOM 1281 CB LEU A 82 7.488 -3.937 -11.329 1.00 0.00 C ATOM 1282 CG LEU A 82 8.637 -3.459 -10.441 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.940 -4.129 -10.848 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.770 -1.944 -10.509 1.00 0.00 C ATOM 0 H LEU A 82 6.517 -5.160 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 82 6.050 -2.698 -10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.602 -5.009 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.583 -3.456 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 82 8.415 -3.738 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.747 -3.777 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.841 -5.210 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.168 -3.882 -11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.593 -1.622 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.969 -1.642 -11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.844 -1.482 -10.168 1.00 0.00 H new ATOM 1296 N TYR A 83 4.890 -2.512 -12.563 1.00 0.00 N ATOM 1297 CA TYR A 83 3.963 -2.377 -13.680 1.00 0.00 C ATOM 1298 C TYR A 83 4.626 -2.789 -14.991 1.00 0.00 C ATOM 1299 O TYR A 83 3.954 -3.187 -15.941 1.00 0.00 O ATOM 1300 CB TYR A 83 3.460 -0.936 -13.781 1.00 0.00 C ATOM 1301 CG TYR A 83 2.344 -0.754 -14.784 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.303 -1.670 -14.870 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.329 0.337 -15.646 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.282 -1.508 -15.785 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.310 0.508 -16.563 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.290 -0.417 -16.630 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.727 -0.251 -17.542 1.00 0.00 O ATOM 0 H TYR A 83 5.366 -1.648 -12.303 1.00 0.00 H new ATOM 0 HA TYR A 83 3.116 -3.039 -13.498 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.112 -0.612 -12.800 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.292 -0.288 -14.054 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.292 -2.524 -14.209 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.127 1.063 -15.598 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.518 -2.231 -15.839 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.312 1.362 -17.224 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.572 0.567 -18.059 1.00 0.00 H new ATOM 1317 N ASN A 84 5.951 -2.691 -15.033 1.00 0.00 N ATOM 1318 CA ASN A 84 6.707 -3.054 -16.226 1.00 0.00 C ATOM 1319 C ASN A 84 6.597 -4.549 -16.507 1.00 0.00 C ATOM 1320 O ASN A 84 6.534 -4.973 -17.661 1.00 0.00 O ATOM 1321 CB ASN A 84 8.177 -2.661 -16.064 1.00 0.00 C ATOM 1322 CG ASN A 84 8.355 -1.173 -15.828 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.872 -0.755 -14.792 1.00 0.00 O ATOM 1324 ND2 ASN A 84 7.924 -0.366 -16.791 1.00 0.00 N ATOM 0 H ASN A 84 6.523 -2.363 -14.255 1.00 0.00 H new ATOM 0 HA ASN A 84 6.284 -2.512 -17.072 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.608 -3.213 -15.229 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.729 -2.953 -16.957 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.015 0.645 -16.688 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.502 -0.757 -17.633 1.00 0.00 H new