USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 454 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 19 THR OG1 : rot 24:sc= 0.503 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.15! C(o=-4.1!,f=-4.9!) USER MOD Single : A 28 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 173:sc= -2.13! USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.739! USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= -0.904 (180deg=-2.65!) USER MOD Single : A 39 THR OG1 : rot -110:sc= -2.6! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0278 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -79:sc= 0.775 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -3.64 K(o=-3.6,f=-4.6!) USER MOD Single : A 61 TYR OH : rot -26:sc= -0.829 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.0425 (180deg=0.0411) USER MOD Single : A 70 TYR OH : rot -110:sc= -3.62! USER MOD Single : A 71 THR OG1 : rot 129:sc= 0.293 USER MOD Single : A 73 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.967 -3.974 -2.055 1.00 0.00 N ATOM 253 CA VAL A 18 -21.024 -3.022 -2.707 1.00 0.00 C ATOM 254 C VAL A 18 -19.644 -3.662 -2.867 1.00 0.00 C ATOM 255 O VAL A 18 -19.384 -4.747 -2.385 1.00 0.00 O ATOM 256 CB VAL A 18 -20.899 -1.741 -1.874 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.601 -0.604 -2.611 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.550 -1.930 -0.498 1.00 0.00 C ATOM 0 HA VAL A 18 -21.419 -2.773 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.844 -1.508 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.519 0.313 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -21.133 -0.458 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.653 -0.854 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.452 -1.011 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.606 -2.168 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.055 -2.745 0.030 1.00 0.00 H new ATOM 268 N THR A 19 -18.761 -2.990 -3.554 1.00 0.00 N ATOM 269 CA THR A 19 -17.396 -3.536 -3.773 1.00 0.00 C ATOM 270 C THR A 19 -16.443 -2.381 -4.099 1.00 0.00 C ATOM 271 O THR A 19 -16.432 -1.872 -5.201 1.00 0.00 O ATOM 272 CB THR A 19 -17.441 -4.523 -4.948 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.927 -5.777 -4.488 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.044 -4.708 -5.546 1.00 0.00 C ATOM 0 H THR A 19 -18.931 -2.077 -3.976 1.00 0.00 H new ATOM 0 HA THR A 19 -17.045 -4.051 -2.879 1.00 0.00 H new ATOM 0 HB THR A 19 -18.102 -4.126 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.458 -5.644 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.094 -5.411 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.671 -3.748 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.370 -5.097 -4.783 1.00 0.00 H new ATOM 282 N ILE A 20 -15.642 -1.967 -3.156 1.00 0.00 N ATOM 283 CA ILE A 20 -14.693 -0.852 -3.427 1.00 0.00 C ATOM 284 C ILE A 20 -13.476 -1.416 -4.157 1.00 0.00 C ATOM 285 O ILE A 20 -13.090 -2.550 -3.950 1.00 0.00 O ATOM 286 CB ILE A 20 -14.258 -0.221 -2.105 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.512 1.090 -2.378 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.330 -1.186 -1.375 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.337 2.265 -1.860 1.00 0.00 C ATOM 0 H ILE A 20 -15.604 -2.352 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.173 -0.090 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.136 -0.015 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.537 1.074 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.332 1.202 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.015 -0.743 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.857 -2.120 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.454 -1.385 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.806 3.197 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.301 2.284 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.494 2.154 -0.787 1.00 0.00 H new ATOM 301 N LYS A 21 -12.868 -0.653 -5.014 1.00 0.00 N ATOM 302 CA LYS A 21 -11.688 -1.187 -5.740 1.00 0.00 C ATOM 303 C LYS A 21 -10.496 -0.244 -5.599 1.00 0.00 C ATOM 304 O LYS A 21 -10.640 0.952 -5.440 1.00 0.00 O ATOM 305 CB LYS A 21 -12.033 -1.353 -7.219 1.00 0.00 C ATOM 306 CG LYS A 21 -11.466 -2.680 -7.727 1.00 0.00 C ATOM 307 CD LYS A 21 -11.534 -2.707 -9.254 1.00 0.00 C ATOM 308 CE LYS A 21 -10.780 -3.927 -9.785 1.00 0.00 C ATOM 309 NZ LYS A 21 -11.735 -4.839 -10.478 1.00 0.00 N ATOM 0 H LYS A 21 -13.132 0.306 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.422 -2.153 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.114 -1.330 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.621 -0.524 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.434 -2.799 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.032 -3.514 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.573 -2.740 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.101 -1.794 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.996 -3.612 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.291 -4.451 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.223 -5.669 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.467 -5.149 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.182 -4.336 -11.271 1.00 0.00 H new ATOM 323 N ALA A 22 -9.316 -0.788 -5.672 1.00 0.00 N ATOM 324 CA ALA A 22 -8.085 0.036 -5.560 1.00 0.00 C ATOM 325 C ALA A 22 -6.931 -0.755 -6.170 1.00 0.00 C ATOM 326 O ALA A 22 -7.093 -1.895 -6.556 1.00 0.00 O ATOM 327 CB ALA A 22 -7.784 0.328 -4.091 1.00 0.00 C ATOM 0 H ALA A 22 -9.151 -1.785 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.219 0.983 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.880 0.933 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.620 0.870 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.637 -0.610 -3.556 1.00 0.00 H new ATOM 333 N ASN A 23 -5.771 -0.174 -6.272 1.00 0.00 N ATOM 334 CA ASN A 23 -4.636 -0.927 -6.871 1.00 0.00 C ATOM 335 C ASN A 23 -3.321 -0.576 -6.174 1.00 0.00 C ATOM 336 O ASN A 23 -3.218 0.407 -5.471 1.00 0.00 O ATOM 337 CB ASN A 23 -4.545 -0.600 -8.357 1.00 0.00 C ATOM 338 CG ASN A 23 -5.137 -1.746 -9.171 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.443 -2.675 -9.528 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.402 -1.714 -9.483 1.00 0.00 N ATOM 0 H ASN A 23 -5.560 0.777 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.812 -1.995 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.081 0.325 -8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.505 -0.438 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.812 -2.472 -10.029 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.982 -0.931 -9.181 1.00 0.00 H new ATOM 347 N LEU A 24 -2.315 -1.390 -6.364 1.00 0.00 N ATOM 348 CA LEU A 24 -0.998 -1.128 -5.719 1.00 0.00 C ATOM 349 C LEU A 24 0.106 -1.158 -6.778 1.00 0.00 C ATOM 350 O LEU A 24 0.845 -2.117 -6.891 1.00 0.00 O ATOM 351 CB LEU A 24 -0.734 -2.206 -4.675 1.00 0.00 C ATOM 352 CG LEU A 24 -1.700 -2.010 -3.508 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.339 -2.975 -2.387 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.588 -0.574 -2.990 1.00 0.00 C ATOM 0 H LEU A 24 -2.352 -2.230 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.010 -0.148 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.867 -3.195 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.297 -2.148 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.719 -2.200 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.027 -2.837 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.411 -4.000 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.320 -2.780 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.277 -0.433 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.568 -0.387 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.839 0.122 -3.790 1.00 0.00 H new ATOM 366 N ILE A 25 0.221 -0.121 -7.561 1.00 0.00 N ATOM 367 CA ILE A 25 1.270 -0.095 -8.618 1.00 0.00 C ATOM 368 C ILE A 25 2.612 0.324 -8.015 1.00 0.00 C ATOM 369 O ILE A 25 2.675 1.142 -7.118 1.00 0.00 O ATOM 370 CB ILE A 25 0.874 0.906 -9.702 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.368 0.397 -10.438 1.00 0.00 C ATOM 372 CG2 ILE A 25 2.028 1.065 -10.692 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.618 1.019 -9.815 1.00 0.00 C ATOM 0 H ILE A 25 -0.367 0.711 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 25 1.364 -1.092 -9.049 1.00 0.00 H new ATOM 0 HB ILE A 25 0.653 1.870 -9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.309 0.655 -11.495 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.420 -0.690 -10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.747 1.779 -11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.911 1.428 -10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.250 0.101 -11.150 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.503 0.658 -10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.678 0.739 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.565 2.104 -9.899 1.00 0.00 H new ATOM 385 N PHE A 26 3.690 -0.226 -8.509 1.00 0.00 N ATOM 386 CA PHE A 26 5.026 0.143 -7.978 1.00 0.00 C ATOM 387 C PHE A 26 5.909 0.632 -9.114 1.00 0.00 C ATOM 388 O PHE A 26 5.647 0.406 -10.280 1.00 0.00 O ATOM 389 CB PHE A 26 5.674 -1.057 -7.322 1.00 0.00 C ATOM 390 CG PHE A 26 4.914 -1.419 -6.069 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.752 -0.469 -5.052 1.00 0.00 C ATOM 392 CD2 PHE A 26 4.367 -2.697 -5.923 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.043 -0.799 -3.893 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.656 -3.027 -4.765 1.00 0.00 C ATOM 395 CZ PHE A 26 3.495 -2.079 -3.749 1.00 0.00 C ATOM 0 H PHE A 26 3.698 -0.917 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 26 4.906 0.935 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.682 -1.901 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.713 -0.834 -7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.175 0.518 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.494 -3.430 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.918 -0.067 -3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.231 -4.014 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.948 -2.335 -2.854 1.00 0.00 H new ATOM 405 N ALA A 27 6.956 1.301 -8.764 1.00 0.00 N ATOM 406 CA ALA A 27 7.894 1.832 -9.787 1.00 0.00 C ATOM 407 C ALA A 27 8.877 0.742 -10.205 1.00 0.00 C ATOM 408 O ALA A 27 9.437 0.779 -11.282 1.00 0.00 O ATOM 409 CB ALA A 27 8.670 3.014 -9.199 1.00 0.00 C ATOM 0 H ALA A 27 7.211 1.509 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 27 7.327 2.159 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.359 3.405 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.972 3.797 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.233 2.682 -8.326 1.00 0.00 H new ATOM 415 N ASN A 28 9.122 -0.211 -9.349 1.00 0.00 N ATOM 416 CA ASN A 28 10.103 -1.271 -9.693 1.00 0.00 C ATOM 417 C ASN A 28 9.474 -2.661 -9.561 1.00 0.00 C ATOM 418 O ASN A 28 9.134 -3.287 -10.545 1.00 0.00 O ATOM 419 CB ASN A 28 11.296 -1.167 -8.745 1.00 0.00 C ATOM 420 CG ASN A 28 10.865 -0.539 -7.415 1.00 0.00 C ATOM 421 OD1 ASN A 28 10.336 0.554 -7.388 1.00 0.00 O ATOM 422 ND2 ASN A 28 11.076 -1.190 -6.305 1.00 0.00 N ATOM 0 H ASN A 28 8.686 -0.299 -8.431 1.00 0.00 H new ATOM 0 HA ASN A 28 10.423 -1.133 -10.726 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.716 -2.157 -8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.081 -0.565 -9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.797 -0.781 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.520 -2.108 -6.329 1.00 0.00 H new ATOM 429 N GLY A 29 9.348 -3.146 -8.348 1.00 0.00 N ATOM 430 CA GLY A 29 8.768 -4.505 -8.107 1.00 0.00 C ATOM 431 C GLY A 29 7.779 -4.878 -9.212 1.00 0.00 C ATOM 432 O GLY A 29 8.153 -5.415 -10.234 1.00 0.00 O ATOM 0 H GLY A 29 9.627 -2.649 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.568 -5.244 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.264 -4.524 -7.141 1.00 0.00 H new ATOM 436 N SER A 30 6.524 -4.597 -9.019 1.00 0.00 N ATOM 437 CA SER A 30 5.517 -4.938 -10.062 1.00 0.00 C ATOM 438 C SER A 30 4.168 -4.358 -9.654 1.00 0.00 C ATOM 439 O SER A 30 3.866 -4.230 -8.487 1.00 0.00 O ATOM 440 CB SER A 30 5.405 -6.457 -10.192 1.00 0.00 C ATOM 441 OG SER A 30 5.630 -6.830 -11.546 1.00 0.00 O ATOM 0 H SER A 30 6.150 -4.146 -8.184 1.00 0.00 H new ATOM 0 HA SER A 30 5.824 -4.521 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.133 -6.944 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.418 -6.789 -9.870 1.00 0.00 H new ATOM 0 HG SER A 30 5.561 -7.804 -11.633 1.00 0.00 H new ATOM 447 N THR A 31 3.352 -3.997 -10.599 1.00 0.00 N ATOM 448 CA THR A 31 2.033 -3.416 -10.239 1.00 0.00 C ATOM 449 C THR A 31 1.067 -4.537 -9.851 1.00 0.00 C ATOM 450 O THR A 31 1.058 -5.599 -10.444 1.00 0.00 O ATOM 451 CB THR A 31 1.463 -2.646 -11.431 1.00 0.00 C ATOM 452 OG1 THR A 31 0.061 -2.492 -11.260 1.00 0.00 O ATOM 453 CG2 THR A 31 1.737 -3.416 -12.725 1.00 0.00 C ATOM 0 H THR A 31 3.538 -4.078 -11.599 1.00 0.00 H new ATOM 0 HA THR A 31 2.161 -2.736 -9.397 1.00 0.00 H new ATOM 0 HB THR A 31 1.937 -1.666 -11.490 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.291 -1.904 -11.960 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.329 -2.863 -13.571 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.812 -3.537 -12.856 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.265 -4.397 -12.671 1.00 0.00 H new ATOM 461 N GLN A 32 0.248 -4.302 -8.864 1.00 0.00 N ATOM 462 CA GLN A 32 -0.722 -5.342 -8.432 1.00 0.00 C ATOM 463 C GLN A 32 -2.085 -4.686 -8.218 1.00 0.00 C ATOM 464 O GLN A 32 -2.430 -3.730 -8.882 1.00 0.00 O ATOM 465 CB GLN A 32 -0.244 -5.970 -7.122 1.00 0.00 C ATOM 466 CG GLN A 32 -0.496 -7.479 -7.151 1.00 0.00 C ATOM 467 CD GLN A 32 -0.119 -8.084 -5.797 1.00 0.00 C ATOM 468 OE1 GLN A 32 0.718 -7.450 -5.024 1.00 0.00 O flip ATOM 469 NE2 GLN A 32 -0.592 -9.144 -5.440 1.00 0.00 N flip ATOM 0 H GLN A 32 0.210 -3.430 -8.337 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.801 -6.117 -9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.818 -5.772 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.769 -5.520 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.544 -7.679 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.091 -7.942 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.247 -9.640 -6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.335 -9.538 -4.535 1.00 0.00 H new ATOM 478 N THR A 33 -2.863 -5.179 -7.297 1.00 0.00 N ATOM 479 CA THR A 33 -4.193 -4.559 -7.061 1.00 0.00 C ATOM 480 C THR A 33 -4.683 -4.877 -5.644 1.00 0.00 C ATOM 481 O THR A 33 -4.070 -5.630 -4.915 1.00 0.00 O ATOM 482 CB THR A 33 -5.198 -5.097 -8.081 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.517 -4.911 -7.585 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.946 -6.585 -8.320 1.00 0.00 C ATOM 0 H THR A 33 -2.638 -5.977 -6.703 1.00 0.00 H new ATOM 0 HA THR A 33 -4.102 -3.478 -7.170 1.00 0.00 H new ATOM 0 HB THR A 33 -5.082 -4.559 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.163 -5.253 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.664 -6.963 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.935 -6.726 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.059 -7.128 -7.382 1.00 0.00 H new ATOM 492 N ALA A 34 -5.792 -4.305 -5.258 1.00 0.00 N ATOM 493 CA ALA A 34 -6.343 -4.564 -3.897 1.00 0.00 C ATOM 494 C ALA A 34 -7.865 -4.392 -3.944 1.00 0.00 C ATOM 495 O ALA A 34 -8.379 -3.616 -4.725 1.00 0.00 O ATOM 496 CB ALA A 34 -5.740 -3.564 -2.907 1.00 0.00 C ATOM 0 H ALA A 34 -6.343 -3.666 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.095 -5.576 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.141 -3.751 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.656 -3.678 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.993 -2.549 -3.215 1.00 0.00 H new ATOM 502 N GLU A 35 -8.600 -5.111 -3.135 1.00 0.00 N ATOM 503 CA GLU A 35 -10.085 -4.967 -3.185 1.00 0.00 C ATOM 504 C GLU A 35 -10.704 -5.124 -1.793 1.00 0.00 C ATOM 505 O GLU A 35 -10.263 -5.916 -0.983 1.00 0.00 O ATOM 506 CB GLU A 35 -10.666 -6.037 -4.114 1.00 0.00 C ATOM 507 CG GLU A 35 -11.609 -5.378 -5.123 1.00 0.00 C ATOM 508 CD GLU A 35 -12.749 -6.340 -5.465 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.434 -6.768 -4.550 1.00 0.00 O ATOM 510 OE2 GLU A 35 -12.920 -6.629 -6.638 1.00 0.00 O ATOM 0 H GLU A 35 -8.244 -5.781 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.320 -3.970 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.862 -6.556 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.204 -6.786 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.012 -4.453 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.062 -5.111 -6.027 1.00 0.00 H new ATOM 517 N PHE A 36 -11.750 -4.382 -1.527 1.00 0.00 N ATOM 518 CA PHE A 36 -12.444 -4.479 -0.219 1.00 0.00 C ATOM 519 C PHE A 36 -13.954 -4.400 -0.462 1.00 0.00 C ATOM 520 O PHE A 36 -14.517 -3.326 -0.551 1.00 0.00 O ATOM 521 CB PHE A 36 -12.054 -3.335 0.712 1.00 0.00 C ATOM 522 CG PHE A 36 -10.728 -2.699 0.341 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.513 -2.157 -0.935 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.717 -2.621 1.306 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.294 -1.546 -1.240 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.496 -2.013 0.998 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.283 -1.476 -0.274 1.00 0.00 C ATOM 0 H PHE A 36 -12.154 -3.705 -2.175 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.158 -5.421 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.834 -2.574 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.999 -3.708 1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.291 -2.212 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.880 -3.032 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.131 -1.127 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.717 -1.959 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.339 -1.007 -0.512 1.00 0.00 H new ATOM 537 N LYS A 37 -14.618 -5.518 -0.580 1.00 0.00 N ATOM 538 CA LYS A 37 -16.083 -5.478 -0.826 1.00 0.00 C ATOM 539 C LYS A 37 -16.842 -5.550 0.501 1.00 0.00 C ATOM 540 O LYS A 37 -16.345 -6.049 1.490 1.00 0.00 O ATOM 541 CB LYS A 37 -16.493 -6.651 -1.714 1.00 0.00 C ATOM 542 CG LYS A 37 -15.411 -6.923 -2.761 1.00 0.00 C ATOM 543 CD LYS A 37 -15.589 -8.335 -3.319 1.00 0.00 C ATOM 544 CE LYS A 37 -15.123 -9.356 -2.279 1.00 0.00 C ATOM 545 NZ LYS A 37 -16.303 -9.879 -1.534 1.00 0.00 N ATOM 0 H LYS A 37 -14.210 -6.451 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.329 -4.542 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.651 -7.540 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.440 -6.430 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.476 -6.191 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.422 -6.818 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.635 -8.509 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.016 -8.449 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.596 -10.175 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.419 -8.892 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.189 -9.680 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.167 -9.416 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.378 -10.906 -1.679 1.00 0.00 H new ATOM 559 N GLY A 38 -18.044 -5.043 0.523 1.00 0.00 N ATOM 560 CA GLY A 38 -18.849 -5.060 1.777 1.00 0.00 C ATOM 561 C GLY A 38 -19.217 -3.620 2.139 1.00 0.00 C ATOM 562 O GLY A 38 -20.357 -3.211 2.029 1.00 0.00 O ATOM 0 H GLY A 38 -18.506 -4.615 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.750 -5.658 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.281 -5.520 2.585 1.00 0.00 H new ATOM 566 N THR A 39 -18.253 -2.843 2.545 1.00 0.00 N ATOM 567 CA THR A 39 -18.527 -1.417 2.890 1.00 0.00 C ATOM 568 C THR A 39 -18.408 -0.588 1.607 1.00 0.00 C ATOM 569 O THR A 39 -17.965 -1.085 0.592 1.00 0.00 O ATOM 570 CB THR A 39 -17.503 -0.925 3.922 1.00 0.00 C ATOM 571 OG1 THR A 39 -17.386 0.486 3.827 1.00 0.00 O ATOM 572 CG2 THR A 39 -16.139 -1.566 3.654 1.00 0.00 C ATOM 0 H THR A 39 -17.281 -3.134 2.654 1.00 0.00 H new ATOM 0 HA THR A 39 -19.525 -1.316 3.316 1.00 0.00 H new ATOM 0 HB THR A 39 -17.838 -1.204 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.510 0.717 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.419 -1.211 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.226 -2.650 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.799 -1.294 2.655 1.00 0.00 H new ATOM 580 N PHE A 40 -18.797 0.663 1.617 1.00 0.00 N ATOM 581 CA PHE A 40 -18.682 1.456 0.356 1.00 0.00 C ATOM 582 C PHE A 40 -17.476 2.380 0.398 1.00 0.00 C ATOM 583 O PHE A 40 -16.485 2.153 -0.265 1.00 0.00 O ATOM 584 CB PHE A 40 -19.931 2.308 0.117 1.00 0.00 C ATOM 585 CG PHE A 40 -19.813 2.949 -1.251 1.00 0.00 C ATOM 586 CD1 PHE A 40 -18.885 3.980 -1.463 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.599 2.493 -2.314 1.00 0.00 C ATOM 588 CE1 PHE A 40 -18.745 4.548 -2.734 1.00 0.00 C ATOM 589 CE2 PHE A 40 -20.457 3.062 -3.588 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.527 4.088 -3.796 1.00 0.00 C ATOM 0 H PHE A 40 -19.180 1.159 2.422 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.569 0.737 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.828 1.691 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.023 3.073 0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -18.278 4.336 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -21.316 1.702 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.032 5.343 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -21.065 2.709 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.414 4.524 -4.778 1.00 0.00 H new ATOM 600 N GLU A 41 -17.562 3.443 1.132 1.00 0.00 N ATOM 601 CA GLU A 41 -16.426 4.390 1.159 1.00 0.00 C ATOM 602 C GLU A 41 -15.614 4.178 2.431 1.00 0.00 C ATOM 603 O GLU A 41 -14.479 4.599 2.526 1.00 0.00 O ATOM 604 CB GLU A 41 -16.966 5.810 1.058 1.00 0.00 C ATOM 605 CG GLU A 41 -15.808 6.786 0.859 1.00 0.00 C ATOM 606 CD GLU A 41 -16.304 8.015 0.094 1.00 0.00 C ATOM 607 OE1 GLU A 41 -17.356 7.924 -0.518 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.622 9.027 0.130 1.00 0.00 O ATOM 0 H GLU A 41 -18.363 3.697 1.711 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.761 4.217 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.665 5.885 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.518 6.065 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.400 7.085 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.001 6.303 0.308 1.00 0.00 H new ATOM 615 N LYS A 42 -16.159 3.479 3.390 1.00 0.00 N ATOM 616 CA LYS A 42 -15.377 3.197 4.611 1.00 0.00 C ATOM 617 C LYS A 42 -14.163 2.364 4.185 1.00 0.00 C ATOM 618 O LYS A 42 -13.205 2.208 4.918 1.00 0.00 O ATOM 619 CB LYS A 42 -16.232 2.420 5.620 1.00 0.00 C ATOM 620 CG LYS A 42 -16.569 3.328 6.807 1.00 0.00 C ATOM 621 CD LYS A 42 -17.923 2.922 7.398 1.00 0.00 C ATOM 622 CE LYS A 42 -17.719 1.813 8.433 1.00 0.00 C ATOM 623 NZ LYS A 42 -19.039 1.402 8.991 1.00 0.00 N ATOM 0 H LYS A 42 -17.105 3.097 3.375 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.060 4.122 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.148 2.070 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.695 1.537 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.792 3.252 7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.599 4.369 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.401 3.784 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.588 2.577 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.225 0.958 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.068 2.164 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.899 0.649 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.494 2.220 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.646 1.051 8.223 1.00 0.00 H new ATOM 637 N ALA A 43 -14.206 1.842 2.979 1.00 0.00 N ATOM 638 CA ALA A 43 -13.084 1.036 2.443 1.00 0.00 C ATOM 639 C ALA A 43 -12.141 1.963 1.680 1.00 0.00 C ATOM 640 O ALA A 43 -10.956 1.741 1.633 1.00 0.00 O ATOM 641 CB ALA A 43 -13.644 -0.023 1.492 1.00 0.00 C ATOM 0 H ALA A 43 -14.993 1.949 2.339 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.544 0.546 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.826 -0.622 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.335 -0.669 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.170 0.466 0.672 1.00 0.00 H new ATOM 647 N THR A 44 -12.660 3.006 1.079 1.00 0.00 N ATOM 648 CA THR A 44 -11.768 3.951 0.328 1.00 0.00 C ATOM 649 C THR A 44 -10.600 4.371 1.233 1.00 0.00 C ATOM 650 O THR A 44 -9.461 4.412 0.812 1.00 0.00 O ATOM 651 CB THR A 44 -12.578 5.181 -0.123 1.00 0.00 C ATOM 652 OG1 THR A 44 -12.008 5.704 -1.315 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.571 6.267 0.960 1.00 0.00 C ATOM 0 H THR A 44 -13.652 3.244 1.074 1.00 0.00 H new ATOM 0 HA THR A 44 -11.368 3.459 -0.558 1.00 0.00 H new ATOM 0 HB THR A 44 -13.609 4.874 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.521 6.486 -1.607 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.149 7.125 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.014 5.872 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.545 6.577 1.158 1.00 0.00 H new ATOM 661 N SER A 45 -10.874 4.669 2.475 1.00 0.00 N ATOM 662 CA SER A 45 -9.779 5.068 3.409 1.00 0.00 C ATOM 663 C SER A 45 -8.994 3.821 3.813 1.00 0.00 C ATOM 664 O SER A 45 -7.797 3.866 3.995 1.00 0.00 O ATOM 665 CB SER A 45 -10.379 5.718 4.655 1.00 0.00 C ATOM 666 OG SER A 45 -11.089 4.737 5.400 1.00 0.00 O ATOM 0 H SER A 45 -11.808 4.654 2.884 1.00 0.00 H new ATOM 0 HA SER A 45 -9.116 5.780 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.590 6.156 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.048 6.530 4.370 1.00 0.00 H new ATOM 0 HG SER A 45 -11.474 5.150 6.201 1.00 0.00 H new ATOM 672 N GLU A 46 -9.662 2.704 3.943 1.00 0.00 N ATOM 673 CA GLU A 46 -8.947 1.449 4.316 1.00 0.00 C ATOM 674 C GLU A 46 -8.036 1.051 3.157 1.00 0.00 C ATOM 675 O GLU A 46 -7.085 0.310 3.316 1.00 0.00 O ATOM 676 CB GLU A 46 -9.959 0.337 4.577 1.00 0.00 C ATOM 677 CG GLU A 46 -9.611 -0.379 5.884 1.00 0.00 C ATOM 678 CD GLU A 46 -10.258 0.354 7.059 1.00 0.00 C ATOM 679 OE1 GLU A 46 -10.550 1.529 6.910 1.00 0.00 O ATOM 680 OE2 GLU A 46 -10.451 -0.270 8.090 1.00 0.00 O ATOM 0 H GLU A 46 -10.668 2.607 3.807 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.359 1.609 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.965 0.753 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.956 -0.373 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.961 -1.411 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.529 -0.413 6.015 1.00 0.00 H new ATOM 687 N ALA A 47 -8.315 1.568 1.993 1.00 0.00 N ATOM 688 CA ALA A 47 -7.470 1.272 0.811 1.00 0.00 C ATOM 689 C ALA A 47 -6.275 2.203 0.875 1.00 0.00 C ATOM 690 O ALA A 47 -5.146 1.819 0.651 1.00 0.00 O ATOM 691 CB ALA A 47 -8.267 1.540 -0.468 1.00 0.00 C ATOM 0 H ALA A 47 -9.103 2.190 1.812 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.151 0.230 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.645 1.322 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.151 0.903 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.573 2.586 -0.494 1.00 0.00 H new ATOM 697 N TYR A 48 -6.534 3.434 1.206 1.00 0.00 N ATOM 698 CA TYR A 48 -5.449 4.425 1.326 1.00 0.00 C ATOM 699 C TYR A 48 -4.512 3.963 2.437 1.00 0.00 C ATOM 700 O TYR A 48 -3.321 4.209 2.417 1.00 0.00 O ATOM 701 CB TYR A 48 -6.068 5.775 1.668 1.00 0.00 C ATOM 702 CG TYR A 48 -5.369 6.855 0.888 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.144 7.362 1.332 1.00 0.00 C ATOM 704 CD2 TYR A 48 -5.951 7.348 -0.286 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.499 8.368 0.605 1.00 0.00 C ATOM 706 CE2 TYR A 48 -5.305 8.354 -1.015 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.078 8.863 -0.568 1.00 0.00 C ATOM 708 OH TYR A 48 -3.441 9.855 -1.284 1.00 0.00 O ATOM 0 H TYR A 48 -7.468 3.795 1.400 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.887 4.520 0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.132 5.770 1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.980 5.968 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.696 6.977 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.896 6.953 -0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.554 8.762 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.752 8.737 -1.921 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.976 10.084 -2.072 1.00 0.00 H new ATOM 718 N ALA A 49 -5.055 3.264 3.391 1.00 0.00 N ATOM 719 CA ALA A 49 -4.235 2.729 4.508 1.00 0.00 C ATOM 720 C ALA A 49 -3.560 1.446 4.030 1.00 0.00 C ATOM 721 O ALA A 49 -2.536 1.038 4.538 1.00 0.00 O ATOM 722 CB ALA A 49 -5.137 2.423 5.706 1.00 0.00 C ATOM 0 H ALA A 49 -6.048 3.038 3.444 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.485 3.459 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.534 2.031 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.636 3.337 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.884 1.683 5.419 1.00 0.00 H new ATOM 728 N TYR A 50 -4.134 0.809 3.041 1.00 0.00 N ATOM 729 CA TYR A 50 -3.535 -0.444 2.506 1.00 0.00 C ATOM 730 C TYR A 50 -2.236 -0.088 1.784 1.00 0.00 C ATOM 731 O TYR A 50 -1.208 -0.708 1.973 1.00 0.00 O ATOM 732 CB TYR A 50 -4.519 -1.092 1.527 1.00 0.00 C ATOM 733 CG TYR A 50 -4.002 -2.438 1.064 1.00 0.00 C ATOM 734 CD1 TYR A 50 -2.840 -2.988 1.622 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.698 -3.138 0.070 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.377 -4.235 1.185 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.234 -4.384 -0.366 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.075 -4.933 0.191 1.00 0.00 C ATOM 739 OH TYR A 50 -2.619 -6.162 -0.241 1.00 0.00 O ATOM 0 H TYR A 50 -4.995 1.107 2.582 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.326 -1.145 3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.490 -1.215 2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.669 -0.439 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.302 -2.450 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.594 -2.715 -0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.481 -4.659 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.771 -4.922 -1.133 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.220 -6.509 -0.933 1.00 0.00 H new ATOM 749 N ALA A 51 -2.278 0.929 0.969 1.00 0.00 N ATOM 750 CA ALA A 51 -1.057 1.362 0.235 1.00 0.00 C ATOM 751 C ALA A 51 -0.182 2.205 1.171 1.00 0.00 C ATOM 752 O ALA A 51 0.924 2.580 0.833 1.00 0.00 O ATOM 753 CB ALA A 51 -1.474 2.192 -0.981 1.00 0.00 C ATOM 0 H ALA A 51 -3.113 1.483 0.779 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.491 0.493 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.585 2.513 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.101 1.588 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.033 3.067 -0.650 1.00 0.00 H new ATOM 759 N ASP A 52 -0.663 2.497 2.353 1.00 0.00 N ATOM 760 CA ASP A 52 0.147 3.306 3.307 1.00 0.00 C ATOM 761 C ASP A 52 1.029 2.371 4.140 1.00 0.00 C ATOM 762 O ASP A 52 2.202 2.621 4.336 1.00 0.00 O ATOM 763 CB ASP A 52 -0.784 4.087 4.235 1.00 0.00 C ATOM 764 CG ASP A 52 0.022 5.145 4.994 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.496 6.071 4.356 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.155 5.007 6.199 1.00 0.00 O ATOM 0 H ASP A 52 -1.580 2.210 2.696 1.00 0.00 H new ATOM 0 HA ASP A 52 0.774 4.004 2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.576 4.563 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.267 3.409 4.938 1.00 0.00 H new ATOM 771 N THR A 53 0.476 1.293 4.628 1.00 0.00 N ATOM 772 CA THR A 53 1.287 0.345 5.438 1.00 0.00 C ATOM 773 C THR A 53 2.147 -0.503 4.502 1.00 0.00 C ATOM 774 O THR A 53 3.072 -1.168 4.923 1.00 0.00 O ATOM 775 CB THR A 53 0.358 -0.562 6.250 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.847 -0.770 5.530 1.00 0.00 O ATOM 777 CG2 THR A 53 0.044 0.097 7.593 1.00 0.00 C ATOM 0 H THR A 53 -0.501 1.030 4.500 1.00 0.00 H new ATOM 0 HA THR A 53 1.929 0.901 6.121 1.00 0.00 H new ATOM 0 HB THR A 53 0.848 -1.520 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.427 0.014 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.617 -0.550 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.970 0.255 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.445 1.056 7.422 1.00 0.00 H new ATOM 785 N LEU A 54 1.854 -0.477 3.228 1.00 0.00 N ATOM 786 CA LEU A 54 2.660 -1.273 2.261 1.00 0.00 C ATOM 787 C LEU A 54 3.798 -0.410 1.727 1.00 0.00 C ATOM 788 O LEU A 54 4.276 -0.601 0.629 1.00 0.00 O ATOM 789 CB LEU A 54 1.771 -1.739 1.106 1.00 0.00 C ATOM 790 CG LEU A 54 2.297 -3.075 0.576 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.142 -3.904 0.013 1.00 0.00 C ATOM 792 CD2 LEU A 54 3.321 -2.813 -0.530 1.00 0.00 C ATOM 0 H LEU A 54 1.091 0.061 2.817 1.00 0.00 H new ATOM 0 HA LEU A 54 3.073 -2.148 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.741 -1.848 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.767 -0.994 0.310 1.00 0.00 H new ATOM 0 HG LEU A 54 2.767 -3.625 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.524 -4.853 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.412 -4.093 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.665 -3.358 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.698 -3.763 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.847 -2.260 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.149 -2.229 -0.128 1.00 0.00 H new ATOM 804 N LYS A 55 4.239 0.535 2.509 1.00 0.00 N ATOM 805 CA LYS A 55 5.356 1.413 2.068 1.00 0.00 C ATOM 806 C LYS A 55 6.682 0.668 2.246 1.00 0.00 C ATOM 807 O LYS A 55 7.438 0.937 3.159 1.00 0.00 O ATOM 808 CB LYS A 55 5.368 2.688 2.918 1.00 0.00 C ATOM 809 CG LYS A 55 5.259 2.320 4.400 1.00 0.00 C ATOM 810 CD LYS A 55 6.286 3.125 5.201 1.00 0.00 C ATOM 811 CE LYS A 55 5.680 3.539 6.543 1.00 0.00 C ATOM 812 NZ LYS A 55 6.700 4.272 7.346 1.00 0.00 N ATOM 0 H LYS A 55 3.872 0.737 3.439 1.00 0.00 H new ATOM 0 HA LYS A 55 5.223 1.678 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.286 3.248 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.539 3.335 2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.253 2.528 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.432 1.252 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.183 2.528 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.589 4.009 4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.807 4.171 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.338 2.658 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.287 4.553 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.520 3.654 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.005 5.121 6.828 1.00 0.00 H new ATOM 826 N LYS A 56 6.972 -0.265 1.380 1.00 0.00 N ATOM 827 CA LYS A 56 8.247 -1.026 1.496 1.00 0.00 C ATOM 828 C LYS A 56 9.382 -0.180 0.923 1.00 0.00 C ATOM 829 O LYS A 56 10.062 0.535 1.631 1.00 0.00 O ATOM 830 CB LYS A 56 8.133 -2.326 0.697 1.00 0.00 C ATOM 831 CG LYS A 56 7.377 -3.370 1.521 1.00 0.00 C ATOM 832 CD LYS A 56 8.369 -4.155 2.382 1.00 0.00 C ATOM 833 CE LYS A 56 7.833 -4.257 3.812 1.00 0.00 C ATOM 834 NZ LYS A 56 6.861 -5.383 3.900 1.00 0.00 N ATOM 0 H LYS A 56 6.378 -0.533 0.595 1.00 0.00 H new ATOM 0 HA LYS A 56 8.448 -1.257 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.612 -2.143 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.126 -2.697 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.636 -2.882 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.836 -4.048 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.519 -5.151 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.340 -3.660 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.655 -4.417 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.350 -3.323 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.497 -5.452 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.071 -5.212 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.336 -6.272 3.644 1.00 0.00 H new ATOM 848 N ASP A 57 9.578 -0.252 -0.361 1.00 0.00 N ATOM 849 CA ASP A 57 10.654 0.553 -0.999 1.00 0.00 C ATOM 850 C ASP A 57 10.024 1.474 -2.042 1.00 0.00 C ATOM 851 O ASP A 57 10.678 1.933 -2.956 1.00 0.00 O ATOM 852 CB ASP A 57 11.658 -0.378 -1.682 1.00 0.00 C ATOM 853 CG ASP A 57 12.983 0.359 -1.884 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.943 1.556 -2.119 1.00 0.00 O ATOM 855 OD2 ASP A 57 14.016 -0.285 -1.802 1.00 0.00 O ATOM 0 H ASP A 57 9.038 -0.836 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 57 11.172 1.143 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.815 -1.269 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.265 -0.712 -2.643 1.00 0.00 H new ATOM 860 N ASN A 58 8.751 1.738 -1.918 1.00 0.00 N ATOM 861 CA ASN A 58 8.072 2.619 -2.906 1.00 0.00 C ATOM 862 C ASN A 58 8.115 4.062 -2.407 1.00 0.00 C ATOM 863 O ASN A 58 8.703 4.931 -3.020 1.00 0.00 O ATOM 864 CB ASN A 58 6.602 2.222 -3.048 1.00 0.00 C ATOM 865 CG ASN A 58 6.353 0.827 -2.479 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.750 -0.161 -3.061 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.700 0.709 -1.350 1.00 0.00 N ATOM 0 H ASN A 58 8.153 1.380 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 58 8.581 2.520 -3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.974 2.947 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.315 2.246 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.524 -0.216 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.368 1.542 -0.864 1.00 0.00 H new ATOM 874 N GLY A 59 7.464 4.319 -1.307 1.00 0.00 N ATOM 875 CA GLY A 59 7.419 5.700 -0.757 1.00 0.00 C ATOM 876 C GLY A 59 5.956 6.093 -0.601 1.00 0.00 C ATOM 877 O GLY A 59 5.275 5.657 0.305 1.00 0.00 O ATOM 0 H GLY A 59 6.956 3.623 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.931 5.745 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.932 6.393 -1.424 1.00 0.00 H new ATOM 881 N GLU A 60 5.464 6.890 -1.496 1.00 0.00 N ATOM 882 CA GLU A 60 4.034 7.291 -1.432 1.00 0.00 C ATOM 883 C GLU A 60 3.485 7.356 -2.851 1.00 0.00 C ATOM 884 O GLU A 60 4.174 7.037 -3.795 1.00 0.00 O ATOM 885 CB GLU A 60 3.905 8.634 -0.725 1.00 0.00 C ATOM 886 CG GLU A 60 4.287 8.433 0.742 1.00 0.00 C ATOM 887 CD GLU A 60 3.311 9.201 1.637 1.00 0.00 C ATOM 888 OE1 GLU A 60 2.709 10.144 1.150 1.00 0.00 O ATOM 889 OE2 GLU A 60 3.183 8.834 2.795 1.00 0.00 O ATOM 0 H GLU A 60 5.991 7.285 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 60 3.458 6.561 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.556 9.374 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.885 9.011 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.267 7.372 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.305 8.782 0.914 1.00 0.00 H new ATOM 896 N TYR A 61 2.249 7.717 -3.022 1.00 0.00 N ATOM 897 CA TYR A 61 1.683 7.727 -4.402 1.00 0.00 C ATOM 898 C TYR A 61 0.600 8.788 -4.559 1.00 0.00 C ATOM 899 O TYR A 61 0.176 9.423 -3.614 1.00 0.00 O ATOM 900 CB TYR A 61 1.027 6.377 -4.644 1.00 0.00 C ATOM 901 CG TYR A 61 0.237 6.030 -3.411 1.00 0.00 C ATOM 902 CD1 TYR A 61 -1.016 6.615 -3.185 1.00 0.00 C ATOM 903 CD2 TYR A 61 0.774 5.143 -2.483 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.729 6.303 -2.024 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.067 4.833 -1.319 1.00 0.00 C ATOM 906 CZ TYR A 61 -1.188 5.413 -1.088 1.00 0.00 C ATOM 907 OH TYR A 61 -1.889 5.114 0.064 1.00 0.00 O ATOM 0 H TYR A 61 1.610 8.003 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 61 2.490 7.937 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.376 6.418 -5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.780 5.615 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.430 7.305 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.739 4.693 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.697 6.748 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.487 4.147 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.485 5.859 0.287 1.00 0.00 H new ATOM 917 N THR A 62 0.117 8.923 -5.763 1.00 0.00 N ATOM 918 CA THR A 62 -0.987 9.874 -6.044 1.00 0.00 C ATOM 919 C THR A 62 -2.250 9.034 -6.245 1.00 0.00 C ATOM 920 O THR A 62 -2.247 8.068 -6.983 1.00 0.00 O ATOM 921 CB THR A 62 -0.678 10.671 -7.314 1.00 0.00 C ATOM 922 OG1 THR A 62 0.098 9.872 -8.196 1.00 0.00 O ATOM 923 CG2 THR A 62 0.101 11.934 -6.947 1.00 0.00 C ATOM 0 H THR A 62 0.449 8.404 -6.576 1.00 0.00 H new ATOM 0 HA THR A 62 -1.115 10.583 -5.226 1.00 0.00 H new ATOM 0 HB THR A 62 -1.610 10.951 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.295 10.381 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.321 12.501 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.496 12.546 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.034 11.656 -6.457 1.00 0.00 H new ATOM 931 N VAL A 63 -3.316 9.357 -5.574 1.00 0.00 N ATOM 932 CA VAL A 63 -4.549 8.529 -5.711 1.00 0.00 C ATOM 933 C VAL A 63 -5.301 8.867 -6.999 1.00 0.00 C ATOM 934 O VAL A 63 -5.868 9.933 -7.141 1.00 0.00 O ATOM 935 CB VAL A 63 -5.465 8.784 -4.515 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.846 10.264 -4.474 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.734 7.934 -4.652 1.00 0.00 C ATOM 0 H VAL A 63 -3.391 10.152 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.255 7.480 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.946 8.515 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.500 10.448 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.945 10.869 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.366 10.532 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.388 8.116 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.254 8.203 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.463 6.879 -4.683 1.00 0.00 H new ATOM 947 N ASP A 64 -5.341 7.944 -7.924 1.00 0.00 N ATOM 948 CA ASP A 64 -6.089 8.184 -9.184 1.00 0.00 C ATOM 949 C ASP A 64 -7.568 7.940 -8.893 1.00 0.00 C ATOM 950 O ASP A 64 -8.045 6.824 -8.930 1.00 0.00 O ATOM 951 CB ASP A 64 -5.615 7.206 -10.252 1.00 0.00 C ATOM 952 CG ASP A 64 -4.112 6.965 -10.092 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.448 7.835 -9.550 1.00 0.00 O ATOM 954 OD2 ASP A 64 -3.651 5.916 -10.513 1.00 0.00 O ATOM 0 H ASP A 64 -4.886 7.034 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.927 9.201 -9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.157 6.264 -10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.827 7.604 -11.244 1.00 0.00 H new ATOM 959 N VAL A 65 -8.283 8.972 -8.569 1.00 0.00 N ATOM 960 CA VAL A 65 -9.725 8.810 -8.231 1.00 0.00 C ATOM 961 C VAL A 65 -10.577 8.790 -9.503 1.00 0.00 C ATOM 962 O VAL A 65 -10.727 9.788 -10.178 1.00 0.00 O ATOM 963 CB VAL A 65 -10.167 9.973 -7.340 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.592 9.723 -6.838 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.212 10.086 -6.147 1.00 0.00 C ATOM 0 H VAL A 65 -7.933 9.929 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.860 7.865 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.147 10.900 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.905 10.552 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.268 9.642 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.618 8.797 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.523 10.913 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.234 9.159 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.199 10.266 -6.507 1.00 0.00 H new ATOM 975 N ALA A 66 -11.148 7.660 -9.825 1.00 0.00 N ATOM 976 CA ALA A 66 -12.003 7.575 -11.045 1.00 0.00 C ATOM 977 C ALA A 66 -13.107 6.535 -10.825 1.00 0.00 C ATOM 978 O ALA A 66 -13.050 5.742 -9.906 1.00 0.00 O ATOM 979 CB ALA A 66 -11.145 7.167 -12.244 1.00 0.00 C ATOM 0 H ALA A 66 -11.059 6.792 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.456 8.547 -11.239 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.770 7.105 -13.135 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.362 7.909 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.690 6.195 -12.052 1.00 0.00 H new ATOM 985 N ASP A 67 -14.114 6.541 -11.663 1.00 0.00 N ATOM 986 CA ASP A 67 -15.232 5.560 -11.514 1.00 0.00 C ATOM 987 C ASP A 67 -16.219 6.049 -10.450 1.00 0.00 C ATOM 988 O ASP A 67 -16.824 5.267 -9.748 1.00 0.00 O ATOM 989 CB ASP A 67 -14.681 4.201 -11.116 1.00 0.00 C ATOM 990 CG ASP A 67 -15.521 3.096 -11.759 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.670 3.360 -12.072 1.00 0.00 O ATOM 992 OD2 ASP A 67 -15.000 2.007 -11.926 1.00 0.00 O ATOM 0 H ASP A 67 -14.210 7.186 -12.447 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.751 5.470 -12.468 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.642 4.112 -11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.694 4.096 -10.031 1.00 0.00 H new ATOM 997 N LYS A 68 -16.388 7.340 -10.336 1.00 0.00 N ATOM 998 CA LYS A 68 -17.341 7.904 -9.331 1.00 0.00 C ATOM 999 C LYS A 68 -16.663 8.010 -7.960 1.00 0.00 C ATOM 1000 O LYS A 68 -17.247 8.490 -7.010 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.622 7.032 -9.279 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.686 6.141 -8.020 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.149 5.925 -7.629 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.599 7.065 -6.713 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.531 6.535 -5.677 1.00 0.00 N ATOM 0 H LYS A 68 -15.902 8.036 -10.902 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.634 8.911 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.498 7.679 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.664 6.402 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.204 5.183 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.144 6.611 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.775 5.891 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.265 4.967 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.734 7.526 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.092 7.842 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.876 7.319 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.337 6.070 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.031 5.846 -5.080 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.440 7.577 -7.849 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.744 7.668 -6.534 1.00 0.00 C ATOM 1021 C GLY A 69 -14.738 6.297 -5.849 1.00 0.00 C ATOM 1022 O GLY A 69 -14.590 6.195 -4.649 1.00 0.00 O ATOM 0 H GLY A 69 -14.893 7.166 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.721 8.016 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.244 8.399 -5.898 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.894 5.244 -6.600 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.890 3.892 -5.994 1.00 0.00 C ATOM 1028 C TYR A 70 -13.584 3.188 -6.355 1.00 0.00 C ATOM 1029 O TYR A 70 -12.930 2.600 -5.517 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.075 3.095 -6.527 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.709 2.280 -5.419 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.805 2.794 -4.115 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.214 1.005 -5.703 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.395 2.028 -3.104 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.805 0.241 -4.689 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.896 0.753 -3.390 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.476 -0.001 -2.392 1.00 0.00 O ATOM 0 H TYR A 70 -15.024 5.265 -7.611 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.972 3.970 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.813 3.773 -6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.745 2.435 -7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.424 3.780 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -17.148 0.610 -6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.464 2.421 -2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.191 -0.743 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.894 -0.759 -2.175 1.00 0.00 H new ATOM 1047 N THR A 71 -13.191 3.256 -7.597 1.00 0.00 N ATOM 1048 CA THR A 71 -11.918 2.604 -8.006 1.00 0.00 C ATOM 1049 C THR A 71 -10.787 3.627 -7.925 1.00 0.00 C ATOM 1050 O THR A 71 -10.845 4.682 -8.524 1.00 0.00 O ATOM 1051 CB THR A 71 -12.040 2.093 -9.442 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.183 1.259 -9.554 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.788 1.299 -9.806 1.00 0.00 C ATOM 0 H THR A 71 -13.696 3.734 -8.344 1.00 0.00 H new ATOM 0 HA THR A 71 -11.707 1.765 -7.343 1.00 0.00 H new ATOM 0 HB THR A 71 -12.143 2.939 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.730 1.554 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.873 0.934 -10.829 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.912 1.942 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.683 0.453 -9.127 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.759 3.326 -7.186 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.624 4.281 -7.063 1.00 0.00 C ATOM 1063 C LEU A 72 -7.310 3.543 -7.303 1.00 0.00 C ATOM 1064 O LEU A 72 -6.855 2.776 -6.477 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.615 4.901 -5.661 1.00 0.00 C ATOM 1066 CG LEU A 72 -8.875 3.818 -4.608 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.649 3.674 -3.703 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.084 4.218 -3.760 1.00 0.00 C ATOM 0 H LEU A 72 -9.655 2.458 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.739 5.072 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.654 5.380 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.377 5.677 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.071 2.869 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.837 2.903 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.784 3.393 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.452 4.623 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.272 3.450 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.883 5.168 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.960 4.322 -4.401 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.694 3.769 -8.428 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.405 3.084 -8.719 1.00 0.00 C ATOM 1082 C ASN A 73 -4.265 3.846 -8.050 1.00 0.00 C ATOM 1083 O ASN A 73 -3.999 4.990 -8.361 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.184 3.033 -10.223 1.00 0.00 C ATOM 1085 CG ASN A 73 -5.911 1.816 -10.798 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.288 0.903 -11.301 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.214 1.764 -10.741 1.00 0.00 N ATOM 0 H ASN A 73 -7.027 4.398 -9.159 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.434 2.067 -8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.555 3.946 -10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.118 2.973 -10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.709 0.956 -11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.737 2.531 -10.318 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.595 3.220 -7.126 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.476 3.903 -6.426 1.00 0.00 C ATOM 1096 C ILE A 74 -1.187 3.719 -7.227 1.00 0.00 C ATOM 1097 O ILE A 74 -0.917 2.662 -7.760 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.309 3.295 -5.035 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.471 3.738 -4.146 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -0.995 3.766 -4.425 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.000 2.543 -3.355 1.00 0.00 C ATOM 0 H ILE A 74 -3.775 2.262 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.693 4.967 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.301 2.208 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.141 4.521 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.267 4.163 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.878 3.331 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.166 3.451 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.999 4.853 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.828 2.863 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.347 1.774 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.203 2.138 -2.732 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.390 4.747 -7.320 1.00 0.00 N ATOM 1114 CA LYS A 75 0.879 4.641 -8.089 1.00 0.00 C ATOM 1115 C LYS A 75 2.033 5.173 -7.237 1.00 0.00 C ATOM 1116 O LYS A 75 2.255 6.364 -7.155 1.00 0.00 O ATOM 1117 CB LYS A 75 0.763 5.475 -9.364 1.00 0.00 C ATOM 1118 CG LYS A 75 0.943 4.573 -10.586 1.00 0.00 C ATOM 1119 CD LYS A 75 2.402 4.616 -11.044 1.00 0.00 C ATOM 1120 CE LYS A 75 2.477 4.275 -12.532 1.00 0.00 C ATOM 1121 NZ LYS A 75 3.120 5.399 -13.269 1.00 0.00 N ATOM 0 H LYS A 75 -0.564 5.658 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 75 1.068 3.599 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.209 5.966 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.518 6.262 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.658 3.550 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.288 4.901 -11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.822 5.606 -10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.997 3.908 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.048 3.358 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.477 4.094 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.171 5.166 -14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.558 6.265 -13.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.080 5.551 -12.900 1.00 0.00 H new ATOM 1135 N PHE A 76 2.770 4.305 -6.597 1.00 0.00 N ATOM 1136 CA PHE A 76 3.904 4.780 -5.755 1.00 0.00 C ATOM 1137 C PHE A 76 4.994 5.365 -6.656 1.00 0.00 C ATOM 1138 O PHE A 76 5.163 4.960 -7.789 1.00 0.00 O ATOM 1139 CB PHE A 76 4.485 3.612 -4.953 1.00 0.00 C ATOM 1140 CG PHE A 76 3.510 3.159 -3.892 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.392 2.396 -4.245 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.740 3.485 -2.550 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.506 1.957 -3.256 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.852 3.048 -1.560 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.735 2.285 -1.914 1.00 0.00 C ATOM 0 H PHE A 76 2.637 3.294 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 76 3.543 5.544 -5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.714 2.783 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.423 3.914 -4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.213 2.146 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.603 4.074 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.645 1.365 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.029 3.300 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.048 1.948 -1.152 1.00 0.00 H new ATOM 1155 N ALA A 77 5.736 6.316 -6.160 1.00 0.00 N ATOM 1156 CA ALA A 77 6.817 6.928 -6.979 1.00 0.00 C ATOM 1157 C ALA A 77 7.973 5.938 -7.110 1.00 0.00 C ATOM 1158 O ALA A 77 8.579 5.808 -8.155 1.00 0.00 O ATOM 1159 CB ALA A 77 7.314 8.201 -6.292 1.00 0.00 C ATOM 0 H ALA A 77 5.639 6.696 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 77 6.432 7.174 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.106 8.652 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.489 8.906 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.701 7.954 -5.304 1.00 0.00 H new ATOM 1165 N GLY A 78 8.282 5.233 -6.055 1.00 0.00 N ATOM 1166 CA GLY A 78 9.398 4.246 -6.113 1.00 0.00 C ATOM 1167 C GLY A 78 10.600 4.777 -5.331 1.00 0.00 C ATOM 1168 O GLY A 78 11.008 4.118 -4.390 1.00 0.00 O ATOM 1169 OXT GLY A 78 11.093 5.834 -5.688 1.00 0.00 O ATOM 0 H GLY A 78 7.809 5.298 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.074 3.292 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.680 4.062 -7.150 1.00 0.00 H new