USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 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= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.556 F(o=-1.8,f=-0.56) USER MOD Single : A 34 ASN :FLIP amide:sc= 0.214 F(o=-1.2,f=0.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -102:sc= -2.7 USER MOD Single : A 47 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.35) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -6.29! C(o=-6.3!,f=-7.6!) USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.0882 (180deg=-1.25) USER MOD Single : A 58 LYS NZ :NH3+ 134:sc= -0.285 (180deg=-1.41!) USER MOD Single : A 59 ASN : amide:sc= 0.62 K(o=0.62,f=-0.33) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= -0.218 (180deg=-0.91) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0136 (180deg=-0.222) 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= -1.97 (180deg=-4.67!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.504 7.957 2.224 1.00 0.00 N ATOM 243 CA GLN A 21 6.449 6.966 2.404 1.00 0.00 C ATOM 244 C GLN A 21 6.084 6.312 1.075 1.00 0.00 C ATOM 245 O GLN A 21 5.928 5.094 0.995 1.00 0.00 O ATOM 246 CB GLN A 21 5.211 7.615 3.023 1.00 0.00 C ATOM 247 CG GLN A 21 5.420 8.083 4.454 1.00 0.00 C ATOM 248 CD GLN A 21 4.543 9.265 4.817 1.00 0.00 C ATOM 249 OE1 GLN A 21 4.245 10.113 3.975 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.124 9.328 6.075 1.00 0.00 N ATOM 0 HA GLN A 21 6.821 6.194 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.913 8.466 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.387 6.902 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.212 7.258 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.466 8.356 4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.395 8.603 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.531 10.101 6.377 1.00 0.00 H new ATOM 259 N GLU A 22 5.950 7.129 0.035 1.00 0.00 N ATOM 260 CA GLU A 22 5.602 6.629 -1.289 1.00 0.00 C ATOM 261 C GLU A 22 6.787 5.909 -1.927 1.00 0.00 C ATOM 262 O GLU A 22 6.612 5.030 -2.772 1.00 0.00 O ATOM 263 CB GLU A 22 5.146 7.779 -2.189 1.00 0.00 C ATOM 264 CG GLU A 22 4.351 7.324 -3.402 1.00 0.00 C ATOM 265 CD GLU A 22 4.317 8.367 -4.502 1.00 0.00 C ATOM 266 OE1 GLU A 22 3.734 9.449 -4.276 1.00 0.00 O ATOM 267 OE2 GLU A 22 4.872 8.102 -5.588 1.00 0.00 O ATOM 0 H GLU A 22 6.077 8.140 0.084 1.00 0.00 H new ATOM 0 HA GLU A 22 4.784 5.918 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.537 8.468 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.021 8.334 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.786 6.404 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.331 7.090 -3.096 1.00 0.00 H new ATOM 274 N LYS A 23 7.992 6.287 -1.517 1.00 0.00 N ATOM 275 CA LYS A 23 9.207 5.678 -2.046 1.00 0.00 C ATOM 276 C LYS A 23 9.601 4.452 -1.229 1.00 0.00 C ATOM 277 O LYS A 23 10.002 3.427 -1.783 1.00 0.00 O ATOM 278 CB LYS A 23 10.352 6.693 -2.046 1.00 0.00 C ATOM 279 CG LYS A 23 10.977 6.906 -0.678 1.00 0.00 C ATOM 280 CD LYS A 23 12.205 7.798 -0.759 1.00 0.00 C ATOM 281 CE LYS A 23 13.471 6.984 -0.982 1.00 0.00 C ATOM 282 NZ LYS A 23 14.699 7.791 -0.739 1.00 0.00 N ATOM 0 H LYS A 23 8.154 7.013 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 23 9.009 5.362 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.123 6.358 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.980 7.647 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.244 7.355 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.253 5.943 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.083 8.514 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.299 8.374 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.468 6.119 -0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.483 6.603 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.540 7.201 -0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.715 8.603 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.701 8.133 0.243 1.00 0.00 H new ATOM 296 N LEU A 24 9.484 4.562 0.090 1.00 0.00 N ATOM 297 CA LEU A 24 9.827 3.461 0.983 1.00 0.00 C ATOM 298 C LEU A 24 8.987 2.226 0.673 1.00 0.00 C ATOM 299 O LEU A 24 9.387 1.100 0.967 1.00 0.00 O ATOM 300 CB LEU A 24 9.623 3.878 2.440 1.00 0.00 C ATOM 301 CG LEU A 24 9.765 2.769 3.483 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.180 2.211 3.478 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.399 3.286 4.866 1.00 0.00 C ATOM 0 H LEU A 24 9.154 5.403 0.564 1.00 0.00 H new ATOM 0 HA LEU A 24 10.877 3.212 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.340 4.664 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.629 4.314 2.536 1.00 0.00 H new ATOM 0 HG LEU A 24 9.077 1.964 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.263 1.423 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.406 1.802 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.886 3.008 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.506 2.483 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.061 4.109 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.367 3.637 4.862 1.00 0.00 H new ATOM 315 N VAL A 25 7.820 2.446 0.075 1.00 0.00 N ATOM 316 CA VAL A 25 6.925 1.351 -0.279 1.00 0.00 C ATOM 317 C VAL A 25 7.265 0.785 -1.653 1.00 0.00 C ATOM 318 O VAL A 25 7.412 -0.426 -1.818 1.00 0.00 O ATOM 319 CB VAL A 25 5.453 1.805 -0.273 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.542 0.673 -0.721 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.056 2.305 1.108 1.00 0.00 C ATOM 0 H VAL A 25 7.473 3.372 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 25 7.061 0.575 0.474 1.00 0.00 H new ATOM 0 HB VAL A 25 5.342 2.628 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.507 1.013 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.813 0.366 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.653 -0.173 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.013 2.622 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.182 1.503 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.688 3.149 1.385 1.00 0.00 H new ATOM 331 N TYR A 26 7.389 1.669 -2.636 1.00 0.00 N ATOM 332 CA TYR A 26 7.710 1.257 -3.998 1.00 0.00 C ATOM 333 C TYR A 26 9.009 0.459 -4.034 1.00 0.00 C ATOM 334 O TYR A 26 9.156 -0.473 -4.824 1.00 0.00 O ATOM 335 CB TYR A 26 7.824 2.480 -4.909 1.00 0.00 C ATOM 336 CG TYR A 26 8.228 2.144 -6.327 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.323 1.571 -7.211 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.516 2.400 -6.782 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.688 1.261 -8.507 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.890 2.095 -8.076 1.00 0.00 C ATOM 341 CZ TYR A 26 8.973 1.525 -8.935 1.00 0.00 C ATOM 342 OH TYR A 26 9.340 1.219 -10.225 1.00 0.00 O ATOM 0 H TYR A 26 7.272 2.675 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 26 6.903 0.618 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.866 3.000 -4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.554 3.171 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.316 1.364 -6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.237 2.845 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.972 0.815 -9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.895 2.302 -8.414 1.00 0.00 H new ATOM 0 HH TYR A 26 10.277 1.469 -10.366 1.00 0.00 H new ATOM 352 N GLN A 27 9.949 0.833 -3.171 1.00 0.00 N ATOM 353 CA GLN A 27 11.237 0.152 -3.104 1.00 0.00 C ATOM 354 C GLN A 27 11.066 -1.291 -2.642 1.00 0.00 C ATOM 355 O GLN A 27 11.790 -2.184 -3.084 1.00 0.00 O ATOM 356 CB GLN A 27 12.181 0.895 -2.156 1.00 0.00 C ATOM 357 CG GLN A 27 12.672 2.225 -2.706 1.00 0.00 C ATOM 358 CD GLN A 27 13.458 2.070 -3.993 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.749 1.938 -5.108 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 14.689 2.069 -3.985 1.00 0.00 N flip ATOM 0 H GLN A 27 9.843 1.602 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 27 11.669 0.145 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.669 1.069 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.041 0.260 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.818 2.878 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.298 2.714 -1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.193 2.173 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.205 1.964 -4.859 1.00 0.00 H new ATOM 369 N ILE A 28 10.106 -1.513 -1.750 1.00 0.00 N ATOM 370 CA ILE A 28 9.841 -2.848 -1.229 1.00 0.00 C ATOM 371 C ILE A 28 9.066 -3.688 -2.239 1.00 0.00 C ATOM 372 O ILE A 28 9.276 -4.896 -2.348 1.00 0.00 O ATOM 373 CB ILE A 28 9.048 -2.790 0.090 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.897 -2.158 1.194 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.593 -4.184 0.496 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.083 -1.433 2.243 1.00 0.00 C ATOM 0 H ILE A 28 9.499 -0.785 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 28 10.809 -3.312 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 28 8.164 -2.170 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.487 -2.936 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.601 -1.458 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.034 -4.127 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.955 -4.600 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.464 -4.825 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.751 -1.010 2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.513 -0.632 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.398 -2.134 2.720 1.00 0.00 H new ATOM 388 N ILE A 29 8.171 -3.039 -2.977 1.00 0.00 N ATOM 389 CA ILE A 29 7.368 -3.726 -3.981 1.00 0.00 C ATOM 390 C ILE A 29 8.243 -4.291 -5.094 1.00 0.00 C ATOM 391 O ILE A 29 8.114 -5.456 -5.468 1.00 0.00 O ATOM 392 CB ILE A 29 6.314 -2.787 -4.597 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.344 -2.297 -3.520 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.561 -3.496 -5.713 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.410 -1.207 -3.999 1.00 0.00 C ATOM 0 H ILE A 29 7.984 -2.039 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 29 6.860 -4.545 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 29 6.823 -1.922 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.753 -3.141 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.916 -1.927 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.820 -2.820 -6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.263 -3.800 -6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.060 -4.377 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.751 -0.908 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.993 -0.347 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.812 -1.580 -4.831 1.00 0.00 H new ATOM 407 N GLU A 30 9.135 -3.456 -5.619 1.00 0.00 N ATOM 408 CA GLU A 30 10.033 -3.873 -6.690 1.00 0.00 C ATOM 409 C GLU A 30 10.959 -4.990 -6.219 1.00 0.00 C ATOM 410 O GLU A 30 11.353 -5.856 -7.001 1.00 0.00 O ATOM 411 CB GLU A 30 10.860 -2.684 -7.184 1.00 0.00 C ATOM 412 CG GLU A 30 11.950 -2.256 -6.216 1.00 0.00 C ATOM 413 CD GLU A 30 12.888 -1.225 -6.812 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.942 -1.122 -8.056 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.568 -0.521 -6.036 1.00 0.00 O ATOM 0 H GLU A 30 9.255 -2.488 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 30 9.426 -4.251 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.316 -2.942 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.195 -1.840 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.491 -1.847 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.524 -3.131 -5.911 1.00 0.00 H new ATOM 422 N ASP A 31 11.304 -4.963 -4.936 1.00 0.00 N ATOM 423 CA ASP A 31 12.184 -5.973 -4.359 1.00 0.00 C ATOM 424 C ASP A 31 11.547 -7.357 -4.438 1.00 0.00 C ATOM 425 O ASP A 31 12.224 -8.348 -4.712 1.00 0.00 O ATOM 426 CB ASP A 31 12.506 -5.629 -2.905 1.00 0.00 C ATOM 427 CG ASP A 31 13.611 -4.597 -2.785 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.854 -3.872 -3.772 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.233 -4.516 -1.705 1.00 0.00 O ATOM 0 H ASP A 31 10.988 -4.253 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 31 13.110 -5.985 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.607 -5.253 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.801 -6.536 -2.377 1.00 0.00 H new ATOM 434 N ALA A 32 10.242 -7.417 -4.196 1.00 0.00 N ATOM 435 CA ALA A 32 9.514 -8.680 -4.240 1.00 0.00 C ATOM 436 C ALA A 32 9.743 -9.399 -5.566 1.00 0.00 C ATOM 437 O ALA A 32 9.805 -10.626 -5.614 1.00 0.00 O ATOM 438 CB ALA A 32 8.028 -8.440 -4.017 1.00 0.00 C ATOM 0 H ALA A 32 9.667 -6.606 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 32 9.892 -9.318 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.497 -9.391 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.877 -7.976 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.645 -7.781 -4.796 1.00 0.00 H new ATOM 444 N GLY A 33 9.867 -8.625 -6.640 1.00 0.00 N ATOM 445 CA GLY A 33 10.086 -9.206 -7.951 1.00 0.00 C ATOM 446 C GLY A 33 8.790 -9.556 -8.655 1.00 0.00 C ATOM 447 O GLY A 33 7.705 -9.317 -8.126 1.00 0.00 O ATOM 0 H GLY A 33 9.820 -7.606 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.652 -8.505 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.695 -10.105 -7.850 1.00 0.00 H new ATOM 451 N ASN A 34 8.902 -10.122 -9.852 1.00 0.00 N ATOM 452 CA ASN A 34 7.729 -10.503 -10.630 1.00 0.00 C ATOM 453 C ASN A 34 6.679 -11.164 -9.743 1.00 0.00 C ATOM 454 O ASN A 34 5.478 -10.962 -9.926 1.00 0.00 O ATOM 455 CB ASN A 34 8.128 -11.453 -11.761 1.00 0.00 C ATOM 456 CG ASN A 34 9.194 -12.444 -11.335 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.452 -12.023 -11.399 1.00 0.00 O flip ATOM 458 ND2 ASN A 34 8.890 -13.574 -10.953 1.00 0.00 N flip ATOM 0 H ASN A 34 9.793 -10.327 -10.304 1.00 0.00 H new ATOM 0 HA ASN A 34 7.299 -9.598 -11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.247 -11.996 -12.103 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.493 -10.872 -12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.910 -13.855 -10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.618 -14.230 -10.669 1.00 0.00 H new ATOM 465 N LYS A 35 7.139 -11.955 -8.780 1.00 0.00 N ATOM 466 CA LYS A 35 6.241 -12.645 -7.861 1.00 0.00 C ATOM 467 C LYS A 35 5.278 -11.664 -7.201 1.00 0.00 C ATOM 468 O LYS A 35 4.093 -11.953 -7.041 1.00 0.00 O ATOM 469 CB LYS A 35 7.045 -13.387 -6.791 1.00 0.00 C ATOM 470 CG LYS A 35 8.036 -14.388 -7.358 1.00 0.00 C ATOM 471 CD LYS A 35 8.840 -15.062 -6.259 1.00 0.00 C ATOM 472 CE LYS A 35 10.003 -14.192 -5.806 1.00 0.00 C ATOM 473 NZ LYS A 35 10.741 -14.803 -4.667 1.00 0.00 N ATOM 0 H LYS A 35 8.129 -12.135 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 35 5.659 -13.366 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.584 -12.659 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.355 -13.908 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.502 -15.143 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.713 -13.881 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.191 -15.274 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.218 -16.019 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.687 -14.037 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.630 -13.211 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.526 -14.180 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.095 -14.928 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.119 -15.728 -4.955 1.00 0.00 H new ATOM 487 N GLY A 36 5.796 -10.500 -6.820 1.00 0.00 N ATOM 488 CA GLY A 36 4.968 -9.493 -6.182 1.00 0.00 C ATOM 489 C GLY A 36 5.020 -9.572 -4.669 1.00 0.00 C ATOM 490 O GLY A 36 5.806 -10.336 -4.108 1.00 0.00 O ATOM 0 H GLY A 36 6.774 -10.237 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.294 -8.503 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.937 -9.612 -6.514 1.00 0.00 H new ATOM 494 N ILE A 37 4.181 -8.781 -4.008 1.00 0.00 N ATOM 495 CA ILE A 37 4.136 -8.766 -2.551 1.00 0.00 C ATOM 496 C ILE A 37 2.726 -8.474 -2.049 1.00 0.00 C ATOM 497 O ILE A 37 1.942 -7.806 -2.723 1.00 0.00 O ATOM 498 CB ILE A 37 5.103 -7.718 -1.969 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.163 -7.839 -0.445 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.675 -6.317 -2.378 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.133 -6.874 0.200 1.00 0.00 C ATOM 0 H ILE A 37 3.524 -8.143 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 37 4.442 -9.757 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 37 6.100 -7.903 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.167 -7.669 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.446 -8.858 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.368 -5.588 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.679 -6.238 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.671 -6.120 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.123 -7.016 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.137 -7.058 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.838 -5.851 -0.034 1.00 0.00 H new ATOM 513 N TRP A 38 2.412 -8.977 -0.860 1.00 0.00 N ATOM 514 CA TRP A 38 1.096 -8.769 -0.266 1.00 0.00 C ATOM 515 C TRP A 38 1.012 -7.402 0.404 1.00 0.00 C ATOM 516 O TRP A 38 1.909 -7.010 1.150 1.00 0.00 O ATOM 517 CB TRP A 38 0.794 -9.870 0.752 1.00 0.00 C ATOM 518 CG TRP A 38 -0.672 -10.070 0.993 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.689 -9.801 0.123 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.283 -10.578 2.184 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.896 -10.113 0.701 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.674 -10.592 1.965 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.790 -11.026 3.413 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.575 -11.035 2.930 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.685 -11.464 4.370 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.065 -11.467 4.124 1.00 0.00 C ATOM 0 H TRP A 38 3.050 -9.531 -0.289 1.00 0.00 H new ATOM 0 HA TRP A 38 0.354 -8.808 -1.063 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.229 -10.807 0.403 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.280 -9.625 1.696 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.563 -9.402 -0.873 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.809 -10.005 0.260 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.272 -11.030 3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.639 -11.038 2.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.315 -11.810 5.324 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.739 -11.817 4.892 1.00 0.00 H new ATOM 537 N SER A 39 -0.072 -6.681 0.135 1.00 0.00 N ATOM 538 CA SER A 39 -0.271 -5.356 0.710 1.00 0.00 C ATOM 539 C SER A 39 0.202 -5.316 2.159 1.00 0.00 C ATOM 540 O SER A 39 0.885 -4.379 2.575 1.00 0.00 O ATOM 541 CB SER A 39 -1.747 -4.960 0.632 1.00 0.00 C ATOM 542 OG SER A 39 -2.056 -3.955 1.583 1.00 0.00 O ATOM 0 H SER A 39 -0.826 -6.992 -0.478 1.00 0.00 H new ATOM 0 HA SER A 39 0.320 -4.644 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.978 -4.600 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.372 -5.836 0.808 1.00 0.00 H new ATOM 0 HG SER A 39 -3.004 -3.718 1.512 1.00 0.00 H new ATOM 548 N ARG A 40 -0.165 -6.339 2.923 1.00 0.00 N ATOM 549 CA ARG A 40 0.220 -6.422 4.327 1.00 0.00 C ATOM 550 C ARG A 40 1.736 -6.524 4.470 1.00 0.00 C ATOM 551 O ARG A 40 2.370 -5.674 5.095 1.00 0.00 O ATOM 552 CB ARG A 40 -0.448 -7.627 4.992 1.00 0.00 C ATOM 553 CG ARG A 40 -1.877 -7.362 5.437 1.00 0.00 C ATOM 554 CD ARG A 40 -2.497 -8.593 6.078 1.00 0.00 C ATOM 555 NE ARG A 40 -2.121 -8.728 7.483 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.695 -9.586 8.319 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.666 -10.382 7.893 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.298 -9.650 9.583 1.00 0.00 N ATOM 0 H ARG A 40 -0.729 -7.123 2.593 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.114 -5.511 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.443 -8.465 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.143 -7.928 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.891 -6.535 6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.476 -7.056 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.582 -8.536 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.183 -9.483 5.532 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.376 -8.130 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.974 -10.336 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.105 -11.040 8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.551 -9.040 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.740 -10.309 10.224 1.00 0.00 H new ATOM 572 N ASP A 41 2.311 -7.570 3.886 1.00 0.00 N ATOM 573 CA ASP A 41 3.752 -7.784 3.948 1.00 0.00 C ATOM 574 C ASP A 41 4.500 -6.455 3.923 1.00 0.00 C ATOM 575 O ASP A 41 5.549 -6.309 4.550 1.00 0.00 O ATOM 576 CB ASP A 41 4.208 -8.663 2.782 1.00 0.00 C ATOM 577 CG ASP A 41 4.143 -10.141 3.111 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.198 -10.550 3.818 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.037 -10.889 2.663 1.00 0.00 O ATOM 0 H ASP A 41 1.801 -8.283 3.364 1.00 0.00 H new ATOM 0 HA ASP A 41 3.980 -8.291 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.584 -8.460 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.230 -8.399 2.510 1.00 0.00 H new ATOM 584 N VAL A 42 3.954 -5.488 3.192 1.00 0.00 N ATOM 585 CA VAL A 42 4.569 -4.171 3.085 1.00 0.00 C ATOM 586 C VAL A 42 4.467 -3.408 4.401 1.00 0.00 C ATOM 587 O VAL A 42 5.468 -2.922 4.928 1.00 0.00 O ATOM 588 CB VAL A 42 3.916 -3.335 1.968 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.492 -1.927 1.948 1.00 0.00 C ATOM 590 CG2 VAL A 42 4.099 -4.014 0.619 1.00 0.00 C ATOM 0 H VAL A 42 3.087 -5.592 2.665 1.00 0.00 H new ATOM 0 HA VAL A 42 5.619 -4.332 2.842 1.00 0.00 H new ATOM 0 HB VAL A 42 2.847 -3.261 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.019 -1.351 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.304 -1.443 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.566 -1.976 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.632 -3.410 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.163 -4.120 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.634 -4.999 0.642 1.00 0.00 H new ATOM 600 N ARG A 43 3.251 -3.307 4.928 1.00 0.00 N ATOM 601 CA ARG A 43 3.018 -2.602 6.182 1.00 0.00 C ATOM 602 C ARG A 43 4.201 -2.773 7.130 1.00 0.00 C ATOM 603 O ARG A 43 4.679 -1.806 7.724 1.00 0.00 O ATOM 604 CB ARG A 43 1.739 -3.113 6.849 1.00 0.00 C ATOM 605 CG ARG A 43 0.482 -2.396 6.384 1.00 0.00 C ATOM 606 CD ARG A 43 -0.645 -2.535 7.396 1.00 0.00 C ATOM 607 NE ARG A 43 -1.036 -3.928 7.591 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.707 -4.361 8.653 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.059 -3.514 9.610 1.00 0.00 N ATOM 610 NH2 ARG A 43 -2.026 -5.645 8.759 1.00 0.00 N ATOM 0 H ARG A 43 2.412 -3.705 4.506 1.00 0.00 H new ATOM 0 HA ARG A 43 2.904 -1.541 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.635 -4.179 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.833 -3.001 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.702 -1.340 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.163 -2.803 5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.331 -2.110 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.508 -1.960 7.059 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.780 -4.606 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.815 -2.527 9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.574 -3.850 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.756 -6.300 8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.541 -5.977 9.574 1.00 0.00 H new ATOM 624 N TYR A 44 4.668 -4.009 7.268 1.00 0.00 N ATOM 625 CA TYR A 44 5.793 -4.308 8.145 1.00 0.00 C ATOM 626 C TYR A 44 7.094 -3.752 7.573 1.00 0.00 C ATOM 627 O TYR A 44 7.782 -2.961 8.218 1.00 0.00 O ATOM 628 CB TYR A 44 5.919 -5.818 8.352 1.00 0.00 C ATOM 629 CG TYR A 44 4.588 -6.529 8.447 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.952 -6.693 9.672 1.00 0.00 C ATOM 631 CD2 TYR A 44 3.967 -7.039 7.314 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.736 -7.342 9.764 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.751 -7.688 7.397 1.00 0.00 C ATOM 634 CZ TYR A 44 2.140 -7.838 8.624 1.00 0.00 C ATOM 635 OH TYR A 44 0.929 -8.485 8.711 1.00 0.00 O ATOM 0 H TYR A 44 4.284 -4.820 6.783 1.00 0.00 H new ATOM 0 HA TYR A 44 5.607 -3.830 9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.490 -6.243 7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.487 -6.005 9.263 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.416 -6.306 10.567 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.444 -6.926 6.351 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.255 -7.460 10.724 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.281 -8.076 6.505 1.00 0.00 H new ATOM 0 HH TYR A 44 0.646 -8.772 7.818 1.00 0.00 H new ATOM 645 N LYS A 45 7.423 -4.170 6.356 1.00 0.00 N ATOM 646 CA LYS A 45 8.639 -3.714 5.692 1.00 0.00 C ATOM 647 C LYS A 45 8.727 -2.192 5.705 1.00 0.00 C ATOM 648 O LYS A 45 9.668 -1.619 6.255 1.00 0.00 O ATOM 649 CB LYS A 45 8.681 -4.226 4.251 1.00 0.00 C ATOM 650 CG LYS A 45 8.706 -5.741 4.144 1.00 0.00 C ATOM 651 CD LYS A 45 9.763 -6.347 5.052 1.00 0.00 C ATOM 652 CE LYS A 45 10.128 -7.758 4.618 1.00 0.00 C ATOM 653 NZ LYS A 45 9.233 -8.776 5.234 1.00 0.00 N ATOM 0 H LYS A 45 6.864 -4.825 5.808 1.00 0.00 H new ATOM 0 HA LYS A 45 9.493 -4.115 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.812 -3.847 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.563 -3.821 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.727 -6.141 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.902 -6.031 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.655 -5.720 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.396 -6.364 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.068 -7.831 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.161 -7.967 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.514 -9.725 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.309 -8.724 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.250 -8.592 4.949 1.00 0.00 H new ATOM 667 N SER A 46 7.741 -1.541 5.097 1.00 0.00 N ATOM 668 CA SER A 46 7.708 -0.084 5.036 1.00 0.00 C ATOM 669 C SER A 46 7.585 0.515 6.434 1.00 0.00 C ATOM 670 O SER A 46 8.082 1.609 6.698 1.00 0.00 O ATOM 671 CB SER A 46 6.544 0.385 4.163 1.00 0.00 C ATOM 672 OG SER A 46 6.942 0.517 2.809 1.00 0.00 O ATOM 0 H SER A 46 6.953 -2.000 4.639 1.00 0.00 H new ATOM 0 HA SER A 46 8.644 0.258 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.721 -0.326 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.172 1.341 4.531 1.00 0.00 H new ATOM 0 HG SER A 46 7.087 1.464 2.601 1.00 0.00 H new ATOM 678 N ASN A 47 6.918 -0.211 7.325 1.00 0.00 N ATOM 679 CA ASN A 47 6.727 0.248 8.696 1.00 0.00 C ATOM 680 C ASN A 47 5.683 1.358 8.758 1.00 0.00 C ATOM 681 O ASN A 47 5.715 2.207 9.650 1.00 0.00 O ATOM 682 CB ASN A 47 8.052 0.745 9.278 1.00 0.00 C ATOM 683 CG ASN A 47 8.100 0.627 10.789 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.086 0.788 11.468 1.00 0.00 O ATOM 685 ND2 ASN A 47 9.283 0.345 11.323 1.00 0.00 N ATOM 0 H ASN A 47 6.501 -1.119 7.122 1.00 0.00 H new ATOM 0 HA ASN A 47 6.370 -0.594 9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.873 0.173 8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.203 1.786 8.993 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.377 0.254 12.335 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.097 0.220 10.722 1.00 0.00 H new ATOM 692 N LEU A 48 4.757 1.346 7.805 1.00 0.00 N ATOM 693 CA LEU A 48 3.702 2.351 7.751 1.00 0.00 C ATOM 694 C LEU A 48 2.343 1.732 8.064 1.00 0.00 C ATOM 695 O LEU A 48 2.136 0.527 7.923 1.00 0.00 O ATOM 696 CB LEU A 48 3.668 3.010 6.371 1.00 0.00 C ATOM 697 CG LEU A 48 4.717 4.094 6.119 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.743 4.481 4.648 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.443 5.313 6.988 1.00 0.00 C ATOM 0 H LEU A 48 4.716 0.651 7.059 1.00 0.00 H new ATOM 0 HA LEU A 48 3.918 3.109 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.789 2.233 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.680 3.447 6.223 1.00 0.00 H new ATOM 0 HG LEU A 48 5.696 3.694 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.495 5.253 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.988 3.606 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.765 4.861 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.199 6.074 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.457 5.713 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.477 5.026 8.039 1.00 0.00 H new ATOM 711 N PRO A 49 1.394 2.575 8.497 1.00 0.00 N ATOM 712 CA PRO A 49 0.038 2.133 8.836 1.00 0.00 C ATOM 713 C PRO A 49 -0.759 1.712 7.607 1.00 0.00 C ATOM 714 O PRO A 49 -0.481 2.156 6.492 1.00 0.00 O ATOM 715 CB PRO A 49 -0.588 3.373 9.481 1.00 0.00 C ATOM 716 CG PRO A 49 0.169 4.521 8.907 1.00 0.00 C ATOM 717 CD PRO A 49 1.571 4.024 8.688 1.00 0.00 C ATOM 0 HA PRO A 49 0.045 1.256 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.651 3.445 9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.498 3.343 10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.278 4.854 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.159 5.374 9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.031 4.491 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.212 4.241 9.542 1.00 0.00 H new ATOM 725 N LEU A 50 -1.751 0.854 7.816 1.00 0.00 N ATOM 726 CA LEU A 50 -2.590 0.373 6.724 1.00 0.00 C ATOM 727 C LEU A 50 -3.090 1.533 5.869 1.00 0.00 C ATOM 728 O LEU A 50 -3.070 1.467 4.639 1.00 0.00 O ATOM 729 CB LEU A 50 -3.778 -0.417 7.276 1.00 0.00 C ATOM 730 CG LEU A 50 -4.519 -1.304 6.275 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.913 -0.504 5.043 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.661 -2.499 5.885 1.00 0.00 C ATOM 0 H LEU A 50 -1.994 0.477 8.732 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.986 -0.282 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.423 -1.045 8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.491 0.289 7.703 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.428 -1.674 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.439 -1.152 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.565 0.319 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.018 -0.105 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.204 -3.120 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.735 -2.149 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.429 -3.086 6.774 1.00 0.00 H new ATOM 744 N THR A 51 -3.536 2.598 6.528 1.00 0.00 N ATOM 745 CA THR A 51 -4.039 3.774 5.829 1.00 0.00 C ATOM 746 C THR A 51 -2.993 4.336 4.874 1.00 0.00 C ATOM 747 O THR A 51 -3.328 5.005 3.897 1.00 0.00 O ATOM 748 CB THR A 51 -4.460 4.878 6.818 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.166 5.913 6.125 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.246 5.467 7.520 1.00 0.00 C ATOM 0 H THR A 51 -3.559 2.670 7.545 1.00 0.00 H new ATOM 0 HA THR A 51 -4.912 3.454 5.260 1.00 0.00 H new ATOM 0 HB THR A 51 -5.113 4.433 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.431 6.610 6.761 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.568 6.244 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.728 4.682 8.070 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.571 5.898 6.780 1.00 0.00 H new ATOM 758 N GLU A 52 -1.725 4.059 5.162 1.00 0.00 N ATOM 759 CA GLU A 52 -0.630 4.538 4.327 1.00 0.00 C ATOM 760 C GLU A 52 -0.334 3.552 3.200 1.00 0.00 C ATOM 761 O GLU A 52 -0.115 3.949 2.056 1.00 0.00 O ATOM 762 CB GLU A 52 0.627 4.757 5.171 1.00 0.00 C ATOM 763 CG GLU A 52 0.684 6.123 5.834 1.00 0.00 C ATOM 764 CD GLU A 52 0.773 7.256 4.830 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.424 7.068 3.781 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.192 8.329 5.093 1.00 0.00 O ATOM 0 H GLU A 52 -1.431 3.506 5.967 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.932 5.488 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.677 3.987 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.506 4.633 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.203 6.260 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.546 6.164 6.500 1.00 0.00 H new ATOM 773 N ILE A 53 -0.328 2.266 3.534 1.00 0.00 N ATOM 774 CA ILE A 53 -0.059 1.223 2.552 1.00 0.00 C ATOM 775 C ILE A 53 -1.177 1.140 1.518 1.00 0.00 C ATOM 776 O ILE A 53 -0.928 0.895 0.338 1.00 0.00 O ATOM 777 CB ILE A 53 0.107 -0.153 3.222 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.504 -0.282 3.833 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.142 -1.267 2.216 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.771 0.707 4.946 1.00 0.00 C ATOM 0 H ILE A 53 -0.506 1.921 4.477 1.00 0.00 H new ATOM 0 HA ILE A 53 0.874 1.491 2.056 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.629 -0.242 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.631 -1.294 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.249 -0.144 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.021 -2.233 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.156 -1.184 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.572 -1.183 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.779 0.557 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.677 1.722 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.049 0.555 5.749 1.00 0.00 H new ATOM 792 N ASN A 54 -2.409 1.349 1.969 1.00 0.00 N ATOM 793 CA ASN A 54 -3.567 1.300 1.083 1.00 0.00 C ATOM 794 C ASN A 54 -3.516 2.430 0.059 1.00 0.00 C ATOM 795 O ASN A 54 -3.591 2.193 -1.147 1.00 0.00 O ATOM 796 CB ASN A 54 -4.861 1.389 1.894 1.00 0.00 C ATOM 797 CG ASN A 54 -5.377 0.025 2.310 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.651 -0.967 2.262 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.639 -0.029 2.723 1.00 0.00 N ATOM 0 H ASN A 54 -2.632 1.554 2.943 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.546 0.349 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.689 1.996 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.623 1.898 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.042 -0.919 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.205 0.819 2.746 1.00 0.00 H new ATOM 806 N LYS A 55 -3.388 3.658 0.548 1.00 0.00 N ATOM 807 CA LYS A 55 -3.325 4.826 -0.323 1.00 0.00 C ATOM 808 C LYS A 55 -2.094 4.769 -1.222 1.00 0.00 C ATOM 809 O LYS A 55 -2.172 5.057 -2.417 1.00 0.00 O ATOM 810 CB LYS A 55 -3.302 6.109 0.511 1.00 0.00 C ATOM 811 CG LYS A 55 -2.048 6.264 1.354 1.00 0.00 C ATOM 812 CD LYS A 55 -2.167 7.430 2.321 1.00 0.00 C ATOM 813 CE LYS A 55 -2.058 8.765 1.601 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.386 9.258 1.143 1.00 0.00 N ATOM 0 H LYS A 55 -3.326 3.871 1.544 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.214 4.826 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.390 6.967 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.174 6.123 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.867 5.345 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.187 6.416 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.122 7.374 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.385 7.358 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.607 9.501 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.393 8.662 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.358 9.429 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.113 8.545 1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.616 10.144 1.636 1.00 0.00 H new ATOM 828 N ILE A 56 -0.959 4.395 -0.640 1.00 0.00 N ATOM 829 CA ILE A 56 0.287 4.298 -1.390 1.00 0.00 C ATOM 830 C ILE A 56 0.202 3.213 -2.459 1.00 0.00 C ATOM 831 O ILE A 56 0.370 3.485 -3.649 1.00 0.00 O ATOM 832 CB ILE A 56 1.479 3.997 -0.463 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.711 5.163 0.501 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.732 3.724 -1.283 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.389 4.755 1.790 1.00 0.00 C ATOM 0 H ILE A 56 -0.877 4.154 0.348 1.00 0.00 H new ATOM 0 HA ILE A 56 0.444 5.265 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 56 1.249 3.106 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.318 5.919 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.753 5.627 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.566 3.513 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.562 2.865 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.967 4.598 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.521 5.631 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.772 4.021 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.362 4.318 1.567 1.00 0.00 H new ATOM 847 N LEU A 57 -0.061 1.985 -2.028 1.00 0.00 N ATOM 848 CA LEU A 57 -0.170 0.858 -2.948 1.00 0.00 C ATOM 849 C LEU A 57 -0.979 1.241 -4.184 1.00 0.00 C ATOM 850 O LEU A 57 -0.627 0.877 -5.306 1.00 0.00 O ATOM 851 CB LEU A 57 -0.821 -0.336 -2.248 1.00 0.00 C ATOM 852 CG LEU A 57 0.094 -1.168 -1.350 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.679 -2.312 -0.713 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.280 -1.699 -2.142 1.00 0.00 C ATOM 0 H LEU A 57 -0.203 1.744 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 57 0.835 0.581 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.652 0.031 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.244 -0.992 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 57 0.472 -0.525 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.011 -2.893 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.494 -1.910 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.087 -2.954 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.921 -2.289 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.921 -2.326 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.849 -0.863 -2.549 1.00 0.00 H new ATOM 866 N LYS A 58 -2.063 1.978 -3.970 1.00 0.00 N ATOM 867 CA LYS A 58 -2.921 2.414 -5.065 1.00 0.00 C ATOM 868 C LYS A 58 -2.261 3.536 -5.860 1.00 0.00 C ATOM 869 O LYS A 58 -1.987 3.388 -7.051 1.00 0.00 O ATOM 870 CB LYS A 58 -4.273 2.885 -4.525 1.00 0.00 C ATOM 871 CG LYS A 58 -5.419 2.692 -5.503 1.00 0.00 C ATOM 872 CD LYS A 58 -6.765 2.729 -4.799 1.00 0.00 C ATOM 873 CE LYS A 58 -7.154 1.359 -4.265 1.00 0.00 C ATOM 874 NZ LYS A 58 -6.614 1.123 -2.897 1.00 0.00 N ATOM 0 H LYS A 58 -2.369 2.286 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.078 1.565 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.496 2.344 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.203 3.941 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.384 3.471 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.303 1.738 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.727 3.444 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.529 3.081 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.240 1.271 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.783 0.587 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.361 0.726 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.818 0.455 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.285 2.023 -2.494 1.00 0.00 H new ATOM 888 N ASN A 59 -2.005 4.657 -5.193 1.00 0.00 N ATOM 889 CA ASN A 59 -1.376 5.803 -5.838 1.00 0.00 C ATOM 890 C ASN A 59 -0.356 5.350 -6.879 1.00 0.00 C ATOM 891 O ASN A 59 -0.425 5.744 -8.044 1.00 0.00 O ATOM 892 CB ASN A 59 -0.695 6.691 -4.794 1.00 0.00 C ATOM 893 CG ASN A 59 -1.620 7.768 -4.260 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.932 8.735 -4.955 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.063 7.605 -3.019 1.00 0.00 N ATOM 0 H ASN A 59 -2.224 4.796 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.154 6.376 -6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.346 6.073 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.185 7.158 -5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.688 8.297 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.778 6.788 -2.479 1.00 0.00 H new ATOM 902 N LEU A 60 0.588 4.519 -6.451 1.00 0.00 N ATOM 903 CA LEU A 60 1.622 4.011 -7.346 1.00 0.00 C ATOM 904 C LEU A 60 1.006 3.412 -8.606 1.00 0.00 C ATOM 905 O LEU A 60 1.439 3.706 -9.720 1.00 0.00 O ATOM 906 CB LEU A 60 2.471 2.959 -6.630 1.00 0.00 C ATOM 907 CG LEU A 60 3.272 3.449 -5.423 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.810 2.272 -4.626 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.408 4.358 -5.871 1.00 0.00 C ATOM 0 H LEU A 60 0.659 4.183 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 60 2.258 4.847 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.814 2.153 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.166 2.530 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 60 2.607 4.023 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.377 2.640 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.979 1.661 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.460 1.670 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.968 4.698 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.073 3.808 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.998 5.220 -6.397 1.00 0.00 H new ATOM 921 N GLU A 61 -0.009 2.574 -8.422 1.00 0.00 N ATOM 922 CA GLU A 61 -0.686 1.935 -9.545 1.00 0.00 C ATOM 923 C GLU A 61 -1.222 2.979 -10.520 1.00 0.00 C ATOM 924 O GLU A 61 -1.523 2.669 -11.673 1.00 0.00 O ATOM 925 CB GLU A 61 -1.831 1.052 -9.044 1.00 0.00 C ATOM 926 CG GLU A 61 -1.367 -0.271 -8.459 1.00 0.00 C ATOM 927 CD GLU A 61 -2.522 -1.181 -8.089 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.558 -0.663 -7.621 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.391 -2.410 -8.266 1.00 0.00 O ATOM 0 H GLU A 61 -0.381 2.322 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 61 0.040 1.312 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.394 1.597 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.515 0.855 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.726 -0.778 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.761 -0.080 -7.573 1.00 0.00 H new ATOM 936 N SER A 62 -1.341 4.216 -10.049 1.00 0.00 N ATOM 937 CA SER A 62 -1.845 5.304 -10.878 1.00 0.00 C ATOM 938 C SER A 62 -0.707 5.988 -11.629 1.00 0.00 C ATOM 939 O SER A 62 -0.915 6.587 -12.684 1.00 0.00 O ATOM 940 CB SER A 62 -2.589 6.327 -10.016 1.00 0.00 C ATOM 941 OG SER A 62 -3.568 7.016 -10.774 1.00 0.00 O ATOM 0 H SER A 62 -1.095 4.490 -9.098 1.00 0.00 H new ATOM 0 HA SER A 62 -2.536 4.882 -11.608 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.064 5.822 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.879 7.041 -9.599 1.00 0.00 H new ATOM 0 HG SER A 62 -4.030 7.663 -10.201 1.00 0.00 H new ATOM 947 N LYS A 63 0.498 5.894 -11.077 1.00 0.00 N ATOM 948 CA LYS A 63 1.672 6.501 -11.693 1.00 0.00 C ATOM 949 C LYS A 63 2.357 5.522 -12.641 1.00 0.00 C ATOM 950 O LYS A 63 3.490 5.744 -13.068 1.00 0.00 O ATOM 951 CB LYS A 63 2.658 6.960 -10.617 1.00 0.00 C ATOM 952 CG LYS A 63 2.041 7.882 -9.579 1.00 0.00 C ATOM 953 CD LYS A 63 2.868 7.920 -8.305 1.00 0.00 C ATOM 954 CE LYS A 63 2.748 9.263 -7.602 1.00 0.00 C ATOM 955 NZ LYS A 63 3.218 10.383 -8.462 1.00 0.00 N ATOM 0 H LYS A 63 0.687 5.403 -10.203 1.00 0.00 H new ATOM 0 HA LYS A 63 1.343 7.366 -12.268 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.068 6.084 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.492 7.473 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.957 8.888 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.030 7.546 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.540 7.126 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.914 7.725 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.709 9.433 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.330 9.244 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.586 11.150 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.973 10.044 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.425 10.739 -9.032 1.00 0.00 H new ATOM 969 N LYS A 64 1.661 4.438 -12.968 1.00 0.00 N ATOM 970 CA LYS A 64 2.201 3.426 -13.868 1.00 0.00 C ATOM 971 C LYS A 64 3.488 2.830 -13.308 1.00 0.00 C ATOM 972 O LYS A 64 4.371 2.415 -14.061 1.00 0.00 O ATOM 973 CB LYS A 64 2.464 4.030 -15.250 1.00 0.00 C ATOM 974 CG LYS A 64 1.241 4.680 -15.872 1.00 0.00 C ATOM 975 CD LYS A 64 0.161 3.656 -16.181 1.00 0.00 C ATOM 976 CE LYS A 64 -1.010 4.286 -16.918 1.00 0.00 C ATOM 977 NZ LYS A 64 -0.621 4.763 -18.274 1.00 0.00 N ATOM 0 H LYS A 64 0.722 4.238 -12.623 1.00 0.00 H new ATOM 0 HA LYS A 64 1.464 2.629 -13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.258 4.773 -15.168 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.828 3.248 -15.916 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.844 5.435 -15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.528 5.195 -16.789 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.582 2.852 -16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.192 3.206 -15.253 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.817 3.559 -17.007 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.397 5.122 -16.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.477 4.949 -18.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.066 5.639 -18.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.048 4.035 -18.747 1.00 0.00 H new ATOM 991 N LEU A 65 3.589 2.789 -11.984 1.00 0.00 N ATOM 992 CA LEU A 65 4.769 2.242 -11.323 1.00 0.00 C ATOM 993 C LEU A 65 4.554 0.779 -10.949 1.00 0.00 C ATOM 994 O LEU A 65 5.475 -0.034 -11.030 1.00 0.00 O ATOM 995 CB LEU A 65 5.100 3.057 -10.072 1.00 0.00 C ATOM 996 CG LEU A 65 5.315 4.556 -10.284 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.318 5.289 -8.952 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.613 4.808 -11.037 1.00 0.00 C ATOM 0 H LEU A 65 2.868 3.128 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 65 5.606 2.301 -12.019 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.292 2.925 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.001 2.642 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 65 4.490 4.940 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.472 6.354 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.362 5.137 -8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.122 4.902 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.749 5.880 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.450 4.409 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.571 4.316 -12.009 1.00 0.00 H new ATOM 1010 N ILE A 66 3.333 0.451 -10.541 1.00 0.00 N ATOM 1011 CA ILE A 66 2.997 -0.914 -10.158 1.00 0.00 C ATOM 1012 C ILE A 66 1.590 -1.284 -10.616 1.00 0.00 C ATOM 1013 O ILE A 66 0.877 -0.462 -11.193 1.00 0.00 O ATOM 1014 CB ILE A 66 3.096 -1.112 -8.634 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.059 -0.246 -7.916 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.499 -0.781 -8.147 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.862 -0.618 -6.464 1.00 0.00 C ATOM 0 H ILE A 66 2.560 1.112 -10.467 1.00 0.00 H new ATOM 0 HA ILE A 66 3.720 -1.566 -10.649 1.00 0.00 H new ATOM 0 HB ILE A 66 2.890 -2.157 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.365 0.798 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.105 -0.329 -8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.553 -0.926 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.219 -1.436 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.732 0.257 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.113 0.037 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.525 -1.653 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.805 -0.507 -5.929 1.00 0.00 H new ATOM 1029 N LYS A 67 1.196 -2.525 -10.355 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.127 -3.005 -10.738 1.00 0.00 C ATOM 1031 C LYS A 67 -0.639 -4.041 -9.742 1.00 0.00 C ATOM 1032 O LYS A 67 0.132 -4.600 -8.962 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.087 -3.609 -12.143 1.00 0.00 C ATOM 1034 CG LYS A 67 1.037 -4.611 -12.343 1.00 0.00 C ATOM 1035 CD LYS A 67 0.824 -5.445 -13.595 1.00 0.00 C ATOM 1036 CE LYS A 67 1.690 -6.696 -13.585 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.272 -7.667 -14.634 1.00 0.00 N ATOM 0 H LYS A 67 1.774 -3.218 -9.879 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.809 -2.155 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.039 -4.099 -12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.020 -2.806 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.988 -4.083 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.100 -5.266 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.226 -5.728 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.057 -4.847 -14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.732 -6.418 -13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.631 -7.171 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.886 -8.506 -14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.285 -7.952 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.353 -7.222 -15.571 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.943 -4.294 -9.777 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.556 -5.266 -8.880 1.00 0.00 C ATOM 1053 C ALA A 68 -2.691 -6.627 -9.555 1.00 0.00 C ATOM 1054 O ALA A 68 -3.376 -6.763 -10.569 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.917 -4.769 -8.414 1.00 0.00 C ATOM 0 H ALA A 68 -2.595 -3.840 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.907 -5.383 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.363 -5.505 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.798 -3.823 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.566 -4.623 -9.277 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.033 -7.632 -8.986 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.080 -8.983 -9.533 1.00 0.00 C ATOM 1063 C VAL A 69 -2.491 -9.993 -8.468 1.00 0.00 C ATOM 1064 O VAL A 69 -2.309 -9.761 -7.272 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.718 -9.399 -10.120 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.791 -10.805 -10.696 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.269 -8.403 -11.179 1.00 0.00 C ATOM 0 H VAL A 69 -1.461 -7.536 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.824 -8.976 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 69 0.019 -9.399 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.180 -11.081 -11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.065 -11.507 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.541 -10.836 -11.487 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.695 -8.712 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.005 -8.369 -11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.174 -7.414 -10.731 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.111 -8.854 -4.589 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.661 -8.748 -4.700 1.00 0.00 C ATOM 1225 C VAL A 79 -0.260 -7.534 -5.530 1.00 0.00 C ATOM 1226 O VAL A 79 -0.938 -7.177 -6.494 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.052 -10.013 -5.333 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.465 -9.988 -5.225 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.621 -11.263 -4.678 1.00 0.00 C ATOM 0 HA VAL A 79 -0.274 -8.636 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.316 -10.032 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.877 -10.890 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.852 -9.112 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.754 -9.944 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.180 -12.147 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.389 -11.253 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.702 -11.285 -4.814 1.00 0.00 H new ATOM 1239 N TYR A 80 0.846 -6.904 -5.150 1.00 0.00 N ATOM 1240 CA TYR A 80 1.337 -5.728 -5.859 1.00 0.00 C ATOM 1241 C TYR A 80 2.762 -5.948 -6.357 1.00 0.00 C ATOM 1242 O TYR A 80 3.659 -6.277 -5.581 1.00 0.00 O ATOM 1243 CB TYR A 80 1.287 -4.500 -4.948 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.117 -4.030 -4.642 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.778 -3.152 -5.492 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.784 -4.465 -3.503 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.060 -2.719 -5.216 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.067 -4.038 -3.220 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.701 -3.165 -4.079 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.979 -2.738 -3.801 1.00 0.00 O ATOM 0 H TYR A 80 1.419 -7.188 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 80 0.692 -5.559 -6.721 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.796 -4.731 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.839 -3.686 -5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.280 -2.802 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.291 -5.148 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.558 -2.035 -5.887 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.571 -4.386 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.286 -3.146 -2.965 1.00 0.00 H new ATOM 1260 N MET A 81 2.962 -5.762 -7.657 1.00 0.00 N ATOM 1261 CA MET A 81 4.279 -5.937 -8.260 1.00 0.00 C ATOM 1262 C MET A 81 4.585 -4.805 -9.235 1.00 0.00 C ATOM 1263 O MET A 81 3.772 -3.901 -9.428 1.00 0.00 O ATOM 1264 CB MET A 81 4.357 -7.284 -8.983 1.00 0.00 C ATOM 1265 CG MET A 81 3.756 -7.260 -10.379 1.00 0.00 C ATOM 1266 SD MET A 81 3.728 -8.889 -11.151 1.00 0.00 S ATOM 1267 CE MET A 81 2.753 -9.810 -9.965 1.00 0.00 C ATOM 0 H MET A 81 2.230 -5.490 -8.313 1.00 0.00 H new ATOM 0 HA MET A 81 5.022 -5.917 -7.463 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.401 -7.591 -9.051 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.841 -8.037 -8.387 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.740 -6.870 -10.326 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.328 -6.575 -11.005 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.220 -10.611 -10.476 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.410 -10.237 -9.207 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.035 -9.143 -9.488 1.00 0.00 H new ATOM 1277 N LEU A 82 5.763 -4.861 -9.847 1.00 0.00 N ATOM 1278 CA LEU A 82 6.178 -3.839 -10.803 1.00 0.00 C ATOM 1279 C LEU A 82 5.233 -3.798 -12.000 1.00 0.00 C ATOM 1280 O LEU A 82 4.699 -4.826 -12.417 1.00 0.00 O ATOM 1281 CB LEU A 82 7.608 -4.105 -11.276 1.00 0.00 C ATOM 1282 CG LEU A 82 8.721 -3.686 -10.315 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.945 -4.570 -10.499 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.082 -2.223 -10.523 1.00 0.00 C ATOM 0 H LEU A 82 6.447 -5.603 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 82 6.142 -2.872 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.711 -5.171 -11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.759 -3.587 -12.223 1.00 0.00 H new ATOM 0 HG LEU A 82 8.359 -3.809 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.727 -4.257 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.678 -5.608 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.309 -4.479 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.876 -1.942 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.425 -2.075 -11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.205 -1.602 -10.340 1.00 0.00 H new ATOM 1296 N TYR A 83 5.035 -2.606 -12.550 1.00 0.00 N ATOM 1297 CA TYR A 83 4.155 -2.431 -13.699 1.00 0.00 C ATOM 1298 C TYR A 83 4.839 -2.889 -14.984 1.00 0.00 C ATOM 1299 O TYR A 83 4.313 -3.727 -15.715 1.00 0.00 O ATOM 1300 CB TYR A 83 3.734 -0.966 -13.828 1.00 0.00 C ATOM 1301 CG TYR A 83 2.634 -0.738 -14.840 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.530 -1.580 -14.898 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.699 0.320 -15.739 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.524 -1.376 -15.822 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.697 0.532 -16.666 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.612 -0.319 -16.704 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.389 -0.112 -17.625 1.00 0.00 O ATOM 0 H TYR A 83 5.472 -1.746 -12.219 1.00 0.00 H new ATOM 0 HA TYR A 83 3.268 -3.045 -13.541 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.401 -0.606 -12.855 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.603 -0.371 -14.108 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.457 -2.408 -14.209 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.547 0.988 -15.712 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.327 -2.040 -15.854 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.763 1.359 -17.357 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.175 0.674 -18.170 1.00 0.00 H new ATOM 1317 N ASN A 84 6.016 -2.333 -15.250 1.00 0.00 N ATOM 1318 CA ASN A 84 6.774 -2.683 -16.446 1.00 0.00 C ATOM 1319 C ASN A 84 7.263 -4.127 -16.376 1.00 0.00 C ATOM 1320 O ASN A 84 7.240 -4.851 -17.372 1.00 0.00 O ATOM 1321 CB ASN A 84 7.964 -1.737 -16.617 1.00 0.00 C ATOM 1322 CG ASN A 84 8.592 -1.840 -17.993 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.055 -2.497 -18.885 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.735 -1.189 -18.172 1.00 0.00 N ATOM 0 H ASN A 84 6.466 -1.638 -14.654 1.00 0.00 H new ATOM 0 HA ASN A 84 6.113 -2.583 -17.307 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.637 -0.711 -16.446 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.715 -1.962 -15.860 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.204 -1.221 -19.077 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.144 -0.657 -17.404 1.00 0.00 H new