USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 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 50:sc= 0.0258 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.1!) USER MOD Single : A 28 ASN : amide:sc= -3.48 K(o=-3.5,f=-10!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 74:sc= 0.683 USER MOD Single : A 32 GLN : amide:sc= -0.551 K(o=-0.55,f=-4.1!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.811! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -150:sc= -5.59! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.991 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= -0.205 (180deg=-0.974) USER MOD Single : A 58 ASN : amide:sc= -8.41! C(o=-8.4!,f=-10!) USER MOD Single : A 61 TYR OH : rot -157:sc= -1.61! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -80:sc= -3.73! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.82! K(o=-3.8!,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ -98:sc= -0.19 (180deg=-0.632) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.479 -2.067 -0.405 1.00 0.00 N ATOM 253 CA VAL A 18 -21.180 -2.328 -1.846 1.00 0.00 C ATOM 254 C VAL A 18 -19.839 -3.071 -1.986 1.00 0.00 C ATOM 255 O VAL A 18 -19.496 -3.912 -1.180 1.00 0.00 O ATOM 256 CB VAL A 18 -21.110 -1.000 -2.609 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.603 -1.209 -4.039 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.991 0.052 -1.930 1.00 0.00 C ATOM 0 HA VAL A 18 -21.975 -2.947 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.076 -0.654 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.554 -0.265 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.974 -1.947 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.634 -1.564 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.931 0.989 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.024 -0.294 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.646 0.211 -0.908 1.00 0.00 H new ATOM 268 N THR A 19 -19.091 -2.776 -3.023 1.00 0.00 N ATOM 269 CA THR A 19 -17.784 -3.469 -3.250 1.00 0.00 C ATOM 270 C THR A 19 -16.764 -2.469 -3.800 1.00 0.00 C ATOM 271 O THR A 19 -16.890 -2.012 -4.914 1.00 0.00 O ATOM 272 CB THR A 19 -17.994 -4.553 -4.299 1.00 0.00 C ATOM 273 OG1 THR A 19 -18.983 -4.118 -5.223 1.00 0.00 O ATOM 274 CG2 THR A 19 -18.456 -5.849 -3.633 1.00 0.00 C ATOM 0 H THR A 19 -19.333 -2.079 -3.727 1.00 0.00 H new ATOM 0 HA THR A 19 -17.423 -3.892 -2.312 1.00 0.00 H new ATOM 0 HB THR A 19 -17.054 -4.739 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.763 -3.216 -5.537 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.603 -6.616 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.700 -6.182 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.395 -5.674 -3.108 1.00 0.00 H new ATOM 282 N ILE A 20 -15.747 -2.127 -3.057 1.00 0.00 N ATOM 283 CA ILE A 20 -14.763 -1.147 -3.593 1.00 0.00 C ATOM 284 C ILE A 20 -13.554 -1.882 -4.171 1.00 0.00 C ATOM 285 O ILE A 20 -13.424 -3.083 -4.037 1.00 0.00 O ATOM 286 CB ILE A 20 -14.336 -0.207 -2.465 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.664 1.033 -3.048 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.361 -0.918 -1.536 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.234 2.275 -2.367 1.00 0.00 C ATOM 0 H ILE A 20 -15.557 -2.477 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.218 -0.564 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.221 0.090 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.586 0.983 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.834 1.082 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.062 -0.241 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.842 -1.797 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.480 -1.225 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.759 3.166 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.309 2.324 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.042 2.223 -1.295 1.00 0.00 H new ATOM 301 N LYS A 21 -12.673 -1.175 -4.824 1.00 0.00 N ATOM 302 CA LYS A 21 -11.486 -1.845 -5.417 1.00 0.00 C ATOM 303 C LYS A 21 -10.355 -0.833 -5.627 1.00 0.00 C ATOM 304 O LYS A 21 -10.417 0.007 -6.501 1.00 0.00 O ATOM 305 CB LYS A 21 -11.877 -2.449 -6.766 1.00 0.00 C ATOM 306 CG LYS A 21 -10.781 -3.407 -7.231 1.00 0.00 C ATOM 307 CD LYS A 21 -10.594 -3.279 -8.746 1.00 0.00 C ATOM 308 CE LYS A 21 -11.962 -3.286 -9.435 1.00 0.00 C ATOM 309 NZ LYS A 21 -11.826 -3.836 -10.814 1.00 0.00 N ATOM 0 H LYS A 21 -12.725 -0.167 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.141 -2.627 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.825 -2.979 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.021 -1.659 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.846 -3.181 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.047 -4.432 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.062 -2.357 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.984 -4.102 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.666 -3.888 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.365 -2.274 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.756 -3.840 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.168 -3.245 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.459 -4.808 -10.765 1.00 0.00 H new ATOM 323 N ALA A 22 -9.313 -0.921 -4.843 1.00 0.00 N ATOM 324 CA ALA A 22 -8.170 0.022 -5.010 1.00 0.00 C ATOM 325 C ALA A 22 -6.989 -0.747 -5.605 1.00 0.00 C ATOM 326 O ALA A 22 -6.687 -1.848 -5.189 1.00 0.00 O ATOM 327 CB ALA A 22 -7.774 0.602 -3.650 1.00 0.00 C ATOM 0 H ALA A 22 -9.205 -1.605 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.456 0.840 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.938 1.290 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.622 1.136 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.479 -0.207 -2.981 1.00 0.00 H new ATOM 333 N ASN A 23 -6.325 -0.196 -6.584 1.00 0.00 N ATOM 334 CA ASN A 23 -5.182 -0.930 -7.197 1.00 0.00 C ATOM 335 C ASN A 23 -3.852 -0.353 -6.715 1.00 0.00 C ATOM 336 O ASN A 23 -3.807 0.516 -5.868 1.00 0.00 O ATOM 337 CB ASN A 23 -5.247 -0.812 -8.712 1.00 0.00 C ATOM 338 CG ASN A 23 -5.996 -2.005 -9.294 1.00 0.00 C ATOM 339 OD1 ASN A 23 -5.406 -3.022 -9.604 1.00 0.00 O ATOM 340 ND2 ASN A 23 -7.284 -1.919 -9.457 1.00 0.00 N ATOM 0 H ASN A 23 -6.522 0.722 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.249 -1.977 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.748 0.115 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.239 -0.767 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.803 -2.706 -9.846 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.775 -1.064 -9.196 1.00 0.00 H new ATOM 347 N LEU A 24 -2.769 -0.834 -7.265 1.00 0.00 N ATOM 348 CA LEU A 24 -1.429 -0.326 -6.863 1.00 0.00 C ATOM 349 C LEU A 24 -0.529 -0.248 -8.100 1.00 0.00 C ATOM 350 O LEU A 24 -0.737 -0.945 -9.074 1.00 0.00 O ATOM 351 CB LEU A 24 -0.808 -1.277 -5.841 1.00 0.00 C ATOM 352 CG LEU A 24 -1.749 -1.414 -4.646 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.301 -2.835 -4.600 1.00 0.00 C ATOM 354 CD2 LEU A 24 -0.986 -1.116 -3.354 1.00 0.00 C ATOM 0 H LEU A 24 -2.757 -1.562 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.531 0.664 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.632 -2.253 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.160 -0.898 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.572 -0.707 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.973 -2.937 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.847 -3.043 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.478 -3.542 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.660 -1.214 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.161 -1.821 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.593 -0.100 -3.390 1.00 0.00 H new ATOM 366 N ILE A 25 0.468 0.594 -8.074 1.00 0.00 N ATOM 367 CA ILE A 25 1.375 0.716 -9.252 1.00 0.00 C ATOM 368 C ILE A 25 2.790 1.045 -8.769 1.00 0.00 C ATOM 369 O ILE A 25 2.998 1.998 -8.050 1.00 0.00 O ATOM 370 CB ILE A 25 0.869 1.840 -10.162 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.298 1.324 -11.003 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.990 2.304 -11.096 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.615 1.552 -10.260 1.00 0.00 C ATOM 0 H ILE A 25 0.694 1.203 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 25 1.390 -0.223 -9.806 1.00 0.00 H new ATOM 0 HB ILE A 25 0.543 2.677 -9.545 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.319 1.837 -11.965 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.167 0.262 -11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.621 3.103 -11.739 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.828 2.673 -10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.321 1.467 -11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.443 1.182 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.594 1.019 -9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.749 2.618 -10.075 1.00 0.00 H new ATOM 385 N PHE A 26 3.768 0.273 -9.158 1.00 0.00 N ATOM 386 CA PHE A 26 5.154 0.572 -8.709 1.00 0.00 C ATOM 387 C PHE A 26 5.985 1.094 -9.874 1.00 0.00 C ATOM 388 O PHE A 26 5.644 0.937 -11.030 1.00 0.00 O ATOM 389 CB PHE A 26 5.808 -0.684 -8.164 1.00 0.00 C ATOM 390 CG PHE A 26 5.060 -1.163 -6.943 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.898 -0.311 -5.845 1.00 0.00 C ATOM 392 CD2 PHE A 26 4.526 -2.456 -6.910 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.206 -0.752 -4.711 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.833 -2.899 -5.776 1.00 0.00 C ATOM 395 CZ PHE A 26 3.673 -2.046 -4.678 1.00 0.00 C ATOM 0 H PHE A 26 3.668 -0.543 -9.761 1.00 0.00 H new ATOM 0 HA PHE A 26 5.105 1.330 -7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.813 -1.462 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.848 -0.482 -7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.307 0.688 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.648 -3.112 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.083 -0.095 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.423 -3.898 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.138 -2.387 -3.804 1.00 0.00 H new ATOM 405 N ALA A 27 7.082 1.712 -9.561 1.00 0.00 N ATOM 406 CA ALA A 27 7.979 2.261 -10.616 1.00 0.00 C ATOM 407 C ALA A 27 8.899 1.159 -11.144 1.00 0.00 C ATOM 408 O ALA A 27 9.539 1.310 -12.164 1.00 0.00 O ATOM 409 CB ALA A 27 8.825 3.391 -10.026 1.00 0.00 C ATOM 0 H ALA A 27 7.404 1.864 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 27 7.373 2.645 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.482 3.794 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.171 4.181 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.426 3.004 -9.203 1.00 0.00 H new ATOM 415 N ASN A 28 8.985 0.057 -10.448 1.00 0.00 N ATOM 416 CA ASN A 28 9.877 -1.043 -10.892 1.00 0.00 C ATOM 417 C ASN A 28 9.199 -1.890 -11.977 1.00 0.00 C ATOM 418 O ASN A 28 9.565 -3.026 -12.201 1.00 0.00 O ATOM 419 CB ASN A 28 10.204 -1.917 -9.682 1.00 0.00 C ATOM 420 CG ASN A 28 9.002 -2.799 -9.336 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.904 -2.310 -9.161 1.00 0.00 O ATOM 422 ND2 ASN A 28 9.166 -4.088 -9.225 1.00 0.00 N ATOM 0 H ASN A 28 8.471 -0.126 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 28 10.789 -0.622 -11.314 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.073 -2.539 -9.896 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.463 -1.290 -8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.373 -4.685 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.088 -4.499 -9.372 1.00 0.00 H new ATOM 429 N GLY A 29 8.225 -1.351 -12.660 1.00 0.00 N ATOM 430 CA GLY A 29 7.548 -2.135 -13.731 1.00 0.00 C ATOM 431 C GLY A 29 6.718 -3.255 -13.106 1.00 0.00 C ATOM 432 O GLY A 29 6.453 -4.263 -13.729 1.00 0.00 O ATOM 0 H GLY A 29 7.870 -0.405 -12.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.907 -1.482 -14.323 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.289 -2.555 -14.411 1.00 0.00 H new ATOM 436 N SER A 30 6.301 -3.086 -11.884 1.00 0.00 N ATOM 437 CA SER A 30 5.483 -4.142 -11.226 1.00 0.00 C ATOM 438 C SER A 30 4.253 -3.493 -10.597 1.00 0.00 C ATOM 439 O SER A 30 4.360 -2.616 -9.768 1.00 0.00 O ATOM 440 CB SER A 30 6.315 -4.827 -10.142 1.00 0.00 C ATOM 441 OG SER A 30 5.654 -6.011 -9.719 1.00 0.00 O ATOM 0 H SER A 30 6.491 -2.263 -11.312 1.00 0.00 H new ATOM 0 HA SER A 30 5.172 -4.884 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.306 -5.068 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.456 -4.154 -9.296 1.00 0.00 H new ATOM 0 HG SER A 30 6.187 -6.453 -9.025 1.00 0.00 H new ATOM 447 N THR A 31 3.081 -3.902 -10.985 1.00 0.00 N ATOM 448 CA THR A 31 1.865 -3.280 -10.397 1.00 0.00 C ATOM 449 C THR A 31 1.127 -4.305 -9.535 1.00 0.00 C ATOM 450 O THR A 31 1.441 -5.478 -9.539 1.00 0.00 O ATOM 451 CB THR A 31 0.945 -2.803 -11.521 1.00 0.00 C ATOM 452 OG1 THR A 31 -0.395 -2.772 -11.051 1.00 0.00 O ATOM 453 CG2 THR A 31 1.050 -3.761 -12.709 1.00 0.00 C ATOM 0 H THR A 31 2.912 -4.632 -11.677 1.00 0.00 H new ATOM 0 HA THR A 31 2.156 -2.432 -9.778 1.00 0.00 H new ATOM 0 HB THR A 31 1.243 -1.803 -11.837 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.512 -2.011 -10.445 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.394 -3.421 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.079 -3.784 -13.068 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.752 -4.762 -12.397 1.00 0.00 H new ATOM 461 N GLN A 32 0.147 -3.869 -8.793 1.00 0.00 N ATOM 462 CA GLN A 32 -0.613 -4.812 -7.931 1.00 0.00 C ATOM 463 C GLN A 32 -2.066 -4.349 -7.853 1.00 0.00 C ATOM 464 O GLN A 32 -2.497 -3.507 -8.617 1.00 0.00 O ATOM 465 CB GLN A 32 0.005 -4.827 -6.531 1.00 0.00 C ATOM 466 CG GLN A 32 1.116 -5.877 -6.479 1.00 0.00 C ATOM 467 CD GLN A 32 0.498 -7.267 -6.327 1.00 0.00 C ATOM 468 OE1 GLN A 32 -0.631 -7.490 -6.720 1.00 0.00 O ATOM 469 NE2 GLN A 32 1.194 -8.221 -5.771 1.00 0.00 N ATOM 0 H GLN A 32 -0.160 -2.897 -8.748 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.573 -5.818 -8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.407 -3.843 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.759 -5.052 -5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.716 -5.832 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.786 -5.672 -5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.141 -8.035 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.791 -9.152 -5.667 1.00 0.00 H new ATOM 478 N THR A 33 -2.830 -4.882 -6.941 1.00 0.00 N ATOM 479 CA THR A 33 -4.250 -4.452 -6.835 1.00 0.00 C ATOM 480 C THR A 33 -4.737 -4.613 -5.392 1.00 0.00 C ATOM 481 O THR A 33 -4.022 -5.092 -4.535 1.00 0.00 O ATOM 482 CB THR A 33 -5.112 -5.314 -7.761 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.460 -5.289 -7.315 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.597 -6.757 -7.753 1.00 0.00 C ATOM 0 H THR A 33 -2.535 -5.591 -6.270 1.00 0.00 H new ATOM 0 HA THR A 33 -4.330 -3.405 -7.126 1.00 0.00 H new ATOM 0 HB THR A 33 -5.057 -4.918 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.011 -5.840 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.213 -7.367 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.564 -6.777 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.647 -7.155 -6.740 1.00 0.00 H new ATOM 492 N ALA A 34 -5.951 -4.217 -5.121 1.00 0.00 N ATOM 493 CA ALA A 34 -6.498 -4.351 -3.741 1.00 0.00 C ATOM 494 C ALA A 34 -8.015 -4.512 -3.820 1.00 0.00 C ATOM 495 O ALA A 34 -8.634 -4.154 -4.802 1.00 0.00 O ATOM 496 CB ALA A 34 -6.161 -3.102 -2.926 1.00 0.00 C ATOM 0 H ALA A 34 -6.591 -3.804 -5.800 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.057 -5.223 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.563 -3.206 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.079 -2.982 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.600 -2.226 -3.404 1.00 0.00 H new ATOM 502 N GLU A 35 -8.624 -5.056 -2.803 1.00 0.00 N ATOM 503 CA GLU A 35 -10.101 -5.240 -2.842 1.00 0.00 C ATOM 504 C GLU A 35 -10.645 -5.431 -1.425 1.00 0.00 C ATOM 505 O GLU A 35 -10.233 -6.324 -0.711 1.00 0.00 O ATOM 506 CB GLU A 35 -10.426 -6.482 -3.672 1.00 0.00 C ATOM 507 CG GLU A 35 -11.061 -6.068 -4.999 1.00 0.00 C ATOM 508 CD GLU A 35 -10.921 -7.209 -6.009 1.00 0.00 C ATOM 509 OE1 GLU A 35 -10.512 -8.285 -5.603 1.00 0.00 O ATOM 510 OE2 GLU A 35 -11.225 -6.989 -7.169 1.00 0.00 O ATOM 0 H GLU A 35 -8.166 -5.379 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.561 -4.357 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.517 -7.055 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.106 -7.131 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.113 -5.826 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.578 -5.169 -5.381 1.00 0.00 H new ATOM 517 N PHE A 36 -11.593 -4.626 -1.021 1.00 0.00 N ATOM 518 CA PHE A 36 -12.180 -4.798 0.332 1.00 0.00 C ATOM 519 C PHE A 36 -13.665 -4.475 0.250 1.00 0.00 C ATOM 520 O PHE A 36 -14.084 -3.352 0.448 1.00 0.00 O ATOM 521 CB PHE A 36 -11.516 -3.885 1.359 1.00 0.00 C ATOM 522 CG PHE A 36 -10.391 -3.084 0.750 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.659 -2.170 -0.265 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.085 -3.240 1.226 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.627 -1.404 -0.816 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.045 -2.482 0.676 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.312 -1.562 -0.343 1.00 0.00 C ATOM 0 H PHE A 36 -11.982 -3.860 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.019 -5.826 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.260 -3.207 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.131 -4.485 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.669 -2.052 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.879 -3.945 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.839 -0.694 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.036 -2.608 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.510 -0.974 -0.766 1.00 0.00 H new ATOM 537 N LYS A 37 -14.461 -5.454 -0.059 1.00 0.00 N ATOM 538 CA LYS A 37 -15.921 -5.220 -0.180 1.00 0.00 C ATOM 539 C LYS A 37 -16.553 -5.225 1.213 1.00 0.00 C ATOM 540 O LYS A 37 -16.108 -5.916 2.107 1.00 0.00 O ATOM 541 CB LYS A 37 -16.537 -6.322 -1.041 1.00 0.00 C ATOM 542 CG LYS A 37 -15.608 -6.637 -2.225 1.00 0.00 C ATOM 543 CD LYS A 37 -15.640 -8.140 -2.514 1.00 0.00 C ATOM 544 CE LYS A 37 -15.084 -8.904 -1.309 1.00 0.00 C ATOM 545 NZ LYS A 37 -13.819 -9.594 -1.693 1.00 0.00 N ATOM 0 H LYS A 37 -14.161 -6.413 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.105 -4.254 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.695 -7.219 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.514 -6.007 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.924 -6.080 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.590 -6.322 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.661 -8.460 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.050 -8.363 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.899 -8.216 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.815 -9.632 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.443 -10.112 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.009 -10.262 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.121 -8.890 -2.007 1.00 0.00 H new ATOM 559 N GLY A 38 -17.587 -4.453 1.404 1.00 0.00 N ATOM 560 CA GLY A 38 -18.243 -4.408 2.744 1.00 0.00 C ATOM 561 C GLY A 38 -18.753 -2.991 3.019 1.00 0.00 C ATOM 562 O GLY A 38 -19.802 -2.799 3.597 1.00 0.00 O ATOM 0 H GLY A 38 -18.006 -3.853 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.071 -5.116 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.535 -4.707 3.517 1.00 0.00 H new ATOM 566 N THR A 39 -18.017 -1.999 2.603 1.00 0.00 N ATOM 567 CA THR A 39 -18.456 -0.593 2.828 1.00 0.00 C ATOM 568 C THR A 39 -18.211 0.200 1.543 1.00 0.00 C ATOM 569 O THR A 39 -17.291 -0.085 0.803 1.00 0.00 O ATOM 570 CB THR A 39 -17.652 0.012 3.980 1.00 0.00 C ATOM 571 OG1 THR A 39 -17.264 -1.021 4.876 1.00 0.00 O ATOM 572 CG2 THR A 39 -18.513 1.035 4.724 1.00 0.00 C ATOM 0 H THR A 39 -17.127 -2.101 2.115 1.00 0.00 H new ATOM 0 HA THR A 39 -19.515 -0.561 3.085 1.00 0.00 H new ATOM 0 HB THR A 39 -16.764 0.506 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.747 -0.636 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.939 1.465 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.813 1.826 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.401 0.543 5.121 1.00 0.00 H new ATOM 580 N PHE A 40 -19.035 1.171 1.242 1.00 0.00 N ATOM 581 CA PHE A 40 -18.830 1.924 -0.027 1.00 0.00 C ATOM 582 C PHE A 40 -17.538 2.739 -0.002 1.00 0.00 C ATOM 583 O PHE A 40 -16.492 2.271 -0.407 1.00 0.00 O ATOM 584 CB PHE A 40 -20.000 2.865 -0.319 1.00 0.00 C ATOM 585 CG PHE A 40 -19.695 3.601 -1.607 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.922 2.975 -2.838 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.142 4.890 -1.574 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.599 3.630 -4.032 1.00 0.00 C ATOM 589 CE2 PHE A 40 -18.827 5.547 -2.768 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.053 4.917 -3.997 1.00 0.00 C ATOM 0 H PHE A 40 -19.827 1.470 1.810 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.764 1.175 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.929 2.302 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.136 3.571 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.348 1.983 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.959 5.375 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.771 3.142 -4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.409 6.542 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.806 5.424 -4.918 1.00 0.00 H new ATOM 600 N GLU A 41 -17.605 3.967 0.423 1.00 0.00 N ATOM 601 CA GLU A 41 -16.385 4.816 0.414 1.00 0.00 C ATOM 602 C GLU A 41 -15.519 4.524 1.636 1.00 0.00 C ATOM 603 O GLU A 41 -14.335 4.794 1.643 1.00 0.00 O ATOM 604 CB GLU A 41 -16.796 6.287 0.381 1.00 0.00 C ATOM 605 CG GLU A 41 -15.548 7.175 0.399 1.00 0.00 C ATOM 606 CD GLU A 41 -15.903 8.547 0.975 1.00 0.00 C ATOM 607 OE1 GLU A 41 -17.083 8.838 1.076 1.00 0.00 O ATOM 608 OE2 GLU A 41 -14.988 9.283 1.306 1.00 0.00 O ATOM 0 H GLU A 41 -18.449 4.419 0.775 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.795 4.590 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.385 6.490 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.429 6.516 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.766 6.709 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.153 7.285 -0.611 1.00 0.00 H new ATOM 615 N LYS A 42 -16.079 3.960 2.668 1.00 0.00 N ATOM 616 CA LYS A 42 -15.250 3.643 3.851 1.00 0.00 C ATOM 617 C LYS A 42 -14.135 2.699 3.401 1.00 0.00 C ATOM 618 O LYS A 42 -13.001 2.807 3.826 1.00 0.00 O ATOM 619 CB LYS A 42 -16.100 2.965 4.924 1.00 0.00 C ATOM 620 CG LYS A 42 -15.275 2.806 6.202 1.00 0.00 C ATOM 621 CD LYS A 42 -15.068 4.174 6.852 1.00 0.00 C ATOM 622 CE LYS A 42 -15.586 4.134 8.290 1.00 0.00 C ATOM 623 NZ LYS A 42 -14.956 5.229 9.079 1.00 0.00 N ATOM 0 H LYS A 42 -17.065 3.709 2.740 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.832 4.557 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.992 3.558 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.438 1.990 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.784 2.136 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.311 2.352 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.011 4.438 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.594 4.942 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.671 4.243 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.358 3.169 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.310 5.200 10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.923 5.106 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.195 6.147 8.652 1.00 0.00 H new ATOM 637 N ALA A 43 -14.450 1.784 2.517 1.00 0.00 N ATOM 638 CA ALA A 43 -13.412 0.845 2.009 1.00 0.00 C ATOM 639 C ALA A 43 -12.369 1.654 1.242 1.00 0.00 C ATOM 640 O ALA A 43 -11.215 1.288 1.171 1.00 0.00 O ATOM 641 CB ALA A 43 -14.057 -0.195 1.091 1.00 0.00 C ATOM 0 H ALA A 43 -15.383 1.650 2.127 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.937 0.321 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.293 -0.879 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.808 -0.756 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.531 0.308 0.248 1.00 0.00 H new ATOM 647 N THR A 44 -12.764 2.769 0.681 1.00 0.00 N ATOM 648 CA THR A 44 -11.782 3.618 -0.057 1.00 0.00 C ATOM 649 C THR A 44 -10.737 4.133 0.936 1.00 0.00 C ATOM 650 O THR A 44 -9.576 4.283 0.610 1.00 0.00 O ATOM 651 CB THR A 44 -12.493 4.812 -0.696 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.844 4.476 -0.958 1.00 0.00 O ATOM 653 CG2 THR A 44 -11.797 5.187 -2.005 1.00 0.00 C ATOM 0 H THR A 44 -13.719 3.126 0.702 1.00 0.00 H new ATOM 0 HA THR A 44 -11.307 3.026 -0.840 1.00 0.00 H new ATOM 0 HB THR A 44 -12.456 5.660 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.160 4.977 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.306 6.038 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.759 5.451 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.829 4.339 -2.690 1.00 0.00 H new ATOM 661 N SER A 45 -11.144 4.403 2.150 1.00 0.00 N ATOM 662 CA SER A 45 -10.179 4.904 3.172 1.00 0.00 C ATOM 663 C SER A 45 -9.300 3.744 3.635 1.00 0.00 C ATOM 664 O SER A 45 -8.093 3.835 3.617 1.00 0.00 O ATOM 665 CB SER A 45 -10.945 5.482 4.364 1.00 0.00 C ATOM 666 OG SER A 45 -10.114 5.451 5.517 1.00 0.00 O ATOM 0 H SER A 45 -12.104 4.298 2.477 1.00 0.00 H new ATOM 0 HA SER A 45 -9.556 5.686 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.253 6.506 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.853 4.906 4.541 1.00 0.00 H new ATOM 0 HG SER A 45 -10.602 5.822 6.282 1.00 0.00 H new ATOM 672 N GLU A 46 -9.888 2.645 4.033 1.00 0.00 N ATOM 673 CA GLU A 46 -9.055 1.490 4.468 1.00 0.00 C ATOM 674 C GLU A 46 -8.143 1.105 3.303 1.00 0.00 C ATOM 675 O GLU A 46 -7.067 0.570 3.481 1.00 0.00 O ATOM 676 CB GLU A 46 -9.952 0.305 4.852 1.00 0.00 C ATOM 677 CG GLU A 46 -10.466 -0.399 3.592 1.00 0.00 C ATOM 678 CD GLU A 46 -11.211 -1.677 3.989 1.00 0.00 C ATOM 679 OE1 GLU A 46 -12.386 -1.581 4.304 1.00 0.00 O ATOM 680 OE2 GLU A 46 -10.595 -2.729 3.970 1.00 0.00 O ATOM 0 H GLU A 46 -10.897 2.500 4.075 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.461 1.759 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.393 -0.399 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.793 0.655 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.130 0.264 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.633 -0.641 2.932 1.00 0.00 H new ATOM 687 N ALA A 47 -8.569 1.407 2.107 1.00 0.00 N ATOM 688 CA ALA A 47 -7.740 1.102 0.912 1.00 0.00 C ATOM 689 C ALA A 47 -6.608 2.116 0.876 1.00 0.00 C ATOM 690 O ALA A 47 -5.475 1.806 0.561 1.00 0.00 O ATOM 691 CB ALA A 47 -8.593 1.244 -0.352 1.00 0.00 C ATOM 0 H ALA A 47 -9.463 1.855 1.908 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.350 0.085 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.985 1.020 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.431 0.549 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.971 2.264 -0.423 1.00 0.00 H new ATOM 697 N TYR A 48 -6.916 3.331 1.228 1.00 0.00 N ATOM 698 CA TYR A 48 -5.890 4.390 1.256 1.00 0.00 C ATOM 699 C TYR A 48 -4.830 3.984 2.273 1.00 0.00 C ATOM 700 O TYR A 48 -3.652 4.236 2.107 1.00 0.00 O ATOM 701 CB TYR A 48 -6.554 5.704 1.661 1.00 0.00 C ATOM 702 CG TYR A 48 -5.991 6.835 0.837 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.646 7.199 0.967 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.820 7.519 -0.059 1.00 0.00 C ATOM 705 CE1 TYR A 48 -4.130 8.249 0.198 1.00 0.00 C ATOM 706 CE2 TYR A 48 -6.305 8.566 -0.829 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.959 8.934 -0.699 1.00 0.00 C ATOM 708 OH TYR A 48 -4.450 9.968 -1.460 1.00 0.00 O ATOM 0 H TYR A 48 -7.851 3.633 1.500 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.425 4.523 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.632 5.637 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.387 5.895 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.007 6.671 1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.858 7.238 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.092 8.531 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.944 9.091 -1.524 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.499 9.808 -1.635 1.00 0.00 H new ATOM 718 N ALA A 49 -5.252 3.317 3.306 1.00 0.00 N ATOM 719 CA ALA A 49 -4.299 2.835 4.338 1.00 0.00 C ATOM 720 C ALA A 49 -3.668 1.545 3.822 1.00 0.00 C ATOM 721 O ALA A 49 -2.589 1.160 4.228 1.00 0.00 O ATOM 722 CB ALA A 49 -5.047 2.554 5.643 1.00 0.00 C ATOM 0 H ALA A 49 -6.229 3.082 3.481 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.534 3.587 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.343 2.201 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.525 3.469 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.807 1.792 5.470 1.00 0.00 H new ATOM 728 N TYR A 50 -4.336 0.878 2.915 1.00 0.00 N ATOM 729 CA TYR A 50 -3.777 -0.377 2.357 1.00 0.00 C ATOM 730 C TYR A 50 -2.444 -0.054 1.690 1.00 0.00 C ATOM 731 O TYR A 50 -1.464 -0.758 1.847 1.00 0.00 O ATOM 732 CB TYR A 50 -4.751 -0.936 1.323 1.00 0.00 C ATOM 733 CG TYR A 50 -4.225 -2.240 0.781 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.617 -3.164 1.639 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.351 -2.526 -0.581 1.00 0.00 C ATOM 736 CE1 TYR A 50 -3.136 -4.376 1.133 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.871 -3.737 -1.089 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.263 -4.663 -0.232 1.00 0.00 C ATOM 739 OH TYR A 50 -2.790 -5.859 -0.733 1.00 0.00 O ATOM 0 H TYR A 50 -5.244 1.153 2.541 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.627 -1.115 3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.730 -1.089 1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.884 -0.221 0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.519 -2.941 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.819 -1.811 -1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.667 -5.090 1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.969 -3.958 -2.142 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.959 -5.899 -1.698 1.00 0.00 H new ATOM 749 N ALA A 51 -2.404 1.020 0.953 1.00 0.00 N ATOM 750 CA ALA A 51 -1.144 1.422 0.274 1.00 0.00 C ATOM 751 C ALA A 51 -0.175 2.004 1.309 1.00 0.00 C ATOM 752 O ALA A 51 0.999 2.178 1.046 1.00 0.00 O ATOM 753 CB ALA A 51 -1.463 2.482 -0.783 1.00 0.00 C ATOM 0 H ALA A 51 -3.197 1.641 0.791 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.686 0.555 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.544 2.782 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.158 2.069 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.914 3.350 -0.303 1.00 0.00 H new ATOM 759 N ASP A 52 -0.660 2.307 2.485 1.00 0.00 N ATOM 760 CA ASP A 52 0.230 2.879 3.536 1.00 0.00 C ATOM 761 C ASP A 52 1.056 1.761 4.178 1.00 0.00 C ATOM 762 O ASP A 52 2.267 1.830 4.238 1.00 0.00 O ATOM 763 CB ASP A 52 -0.620 3.562 4.610 1.00 0.00 C ATOM 764 CG ASP A 52 0.264 3.921 5.805 1.00 0.00 C ATOM 765 OD1 ASP A 52 1.157 4.735 5.633 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.037 3.373 6.872 1.00 0.00 O ATOM 0 H ASP A 52 -1.634 2.183 2.762 1.00 0.00 H new ATOM 0 HA ASP A 52 0.900 3.609 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.085 4.461 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.427 2.901 4.926 1.00 0.00 H new ATOM 771 N THR A 53 0.411 0.733 4.662 1.00 0.00 N ATOM 772 CA THR A 53 1.161 -0.387 5.301 1.00 0.00 C ATOM 773 C THR A 53 1.992 -1.122 4.245 1.00 0.00 C ATOM 774 O THR A 53 2.771 -1.999 4.558 1.00 0.00 O ATOM 775 CB THR A 53 0.172 -1.366 5.939 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.994 -1.451 5.131 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.210 -0.878 7.338 1.00 0.00 C ATOM 0 H THR A 53 -0.603 0.621 4.642 1.00 0.00 H new ATOM 0 HA THR A 53 1.824 0.016 6.067 1.00 0.00 H new ATOM 0 HB THR A 53 0.636 -2.349 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.628 -2.078 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.914 -1.578 7.788 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.684 -0.814 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.673 0.106 7.266 1.00 0.00 H new ATOM 785 N LEU A 54 1.831 -0.774 2.998 1.00 0.00 N ATOM 786 CA LEU A 54 2.611 -1.454 1.924 1.00 0.00 C ATOM 787 C LEU A 54 4.109 -1.331 2.217 1.00 0.00 C ATOM 788 O LEU A 54 4.801 -2.317 2.375 1.00 0.00 O ATOM 789 CB LEU A 54 2.297 -0.791 0.579 1.00 0.00 C ATOM 790 CG LEU A 54 2.687 -1.731 -0.562 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.520 -2.669 -0.878 1.00 0.00 C ATOM 792 CD2 LEU A 54 3.022 -0.906 -1.806 1.00 0.00 C ATOM 0 H LEU A 54 1.192 -0.047 2.675 1.00 0.00 H new ATOM 0 HA LEU A 54 2.339 -2.509 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.235 -0.552 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.841 0.149 0.490 1.00 0.00 H new ATOM 0 HG LEU A 54 3.555 -2.319 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.801 -3.338 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.276 -3.257 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.651 -2.082 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.301 -1.574 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.151 -0.319 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.853 -0.236 -1.585 1.00 0.00 H new ATOM 804 N LYS A 55 4.607 -0.122 2.286 1.00 0.00 N ATOM 805 CA LYS A 55 6.060 0.101 2.563 1.00 0.00 C ATOM 806 C LYS A 55 6.900 -0.998 1.909 1.00 0.00 C ATOM 807 O LYS A 55 7.947 -1.370 2.402 1.00 0.00 O ATOM 808 CB LYS A 55 6.331 0.124 4.075 1.00 0.00 C ATOM 809 CG LYS A 55 5.263 -0.669 4.835 1.00 0.00 C ATOM 810 CD LYS A 55 5.614 -2.159 4.801 1.00 0.00 C ATOM 811 CE LYS A 55 6.226 -2.568 6.143 1.00 0.00 C ATOM 812 NZ LYS A 55 5.476 -3.732 6.696 1.00 0.00 N ATOM 0 H LYS A 55 4.062 0.731 2.161 1.00 0.00 H new ATOM 0 HA LYS A 55 6.339 1.067 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.316 -0.297 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.346 1.154 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.202 -0.322 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.284 -0.505 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.720 -2.750 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.316 -2.360 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.277 -2.827 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.189 -1.732 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.891 -4.011 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.480 -3.469 6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.534 -4.530 6.031 1.00 0.00 H new ATOM 826 N LYS A 56 6.459 -1.512 0.792 1.00 0.00 N ATOM 827 CA LYS A 56 7.238 -2.573 0.090 1.00 0.00 C ATOM 828 C LYS A 56 8.337 -1.919 -0.754 1.00 0.00 C ATOM 829 O LYS A 56 8.621 -2.346 -1.855 1.00 0.00 O ATOM 830 CB LYS A 56 6.304 -3.381 -0.816 1.00 0.00 C ATOM 831 CG LYS A 56 5.814 -4.623 -0.067 1.00 0.00 C ATOM 832 CD LYS A 56 6.888 -5.710 -0.120 1.00 0.00 C ATOM 833 CE LYS A 56 6.221 -7.084 -0.198 1.00 0.00 C ATOM 834 NZ LYS A 56 5.476 -7.205 -1.483 1.00 0.00 N ATOM 0 H LYS A 56 5.589 -1.241 0.334 1.00 0.00 H new ATOM 0 HA LYS A 56 7.691 -3.240 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.455 -2.768 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.827 -3.675 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.589 -4.370 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.890 -4.989 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.532 -5.557 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.523 -5.652 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.973 -7.869 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.540 -7.217 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.505 -8.192 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.487 -6.916 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.916 -6.591 -2.198 1.00 0.00 H new ATOM 848 N ASP A 57 8.951 -0.883 -0.250 1.00 0.00 N ATOM 849 CA ASP A 57 10.019 -0.193 -1.014 1.00 0.00 C ATOM 850 C ASP A 57 9.387 0.597 -2.159 1.00 0.00 C ATOM 851 O ASP A 57 9.935 0.697 -3.238 1.00 0.00 O ATOM 852 CB ASP A 57 10.994 -1.221 -1.576 1.00 0.00 C ATOM 853 CG ASP A 57 11.091 -2.421 -0.631 1.00 0.00 C ATOM 854 OD1 ASP A 57 11.071 -2.207 0.570 1.00 0.00 O ATOM 855 OD2 ASP A 57 11.182 -3.532 -1.126 1.00 0.00 O ATOM 0 H ASP A 57 8.753 -0.484 0.668 1.00 0.00 H new ATOM 0 HA ASP A 57 10.559 0.487 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.662 -1.549 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.977 -0.769 -1.705 1.00 0.00 H new ATOM 860 N ASN A 58 8.232 1.161 -1.932 1.00 0.00 N ATOM 861 CA ASN A 58 7.562 1.943 -3.007 1.00 0.00 C ATOM 862 C ASN A 58 8.062 3.390 -2.972 1.00 0.00 C ATOM 863 O ASN A 58 8.792 3.821 -3.842 1.00 0.00 O ATOM 864 CB ASN A 58 6.045 1.914 -2.809 1.00 0.00 C ATOM 865 CG ASN A 58 5.643 0.744 -1.904 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.036 -0.382 -2.137 1.00 0.00 O ATOM 867 ND2 ASN A 58 4.867 0.963 -0.876 1.00 0.00 N ATOM 0 H ASN A 58 7.724 1.114 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 58 7.800 1.500 -3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.712 2.853 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.548 1.822 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.592 0.189 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.536 1.907 -0.679 1.00 0.00 H new ATOM 874 N GLY A 59 7.689 4.146 -1.972 1.00 0.00 N ATOM 875 CA GLY A 59 8.165 5.557 -1.895 1.00 0.00 C ATOM 876 C GLY A 59 6.978 6.513 -1.827 1.00 0.00 C ATOM 877 O GLY A 59 6.961 7.550 -2.459 1.00 0.00 O ATOM 0 H GLY A 59 7.079 3.849 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.797 5.687 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.778 5.789 -2.766 1.00 0.00 H new ATOM 881 N GLU A 60 5.986 6.167 -1.071 1.00 0.00 N ATOM 882 CA GLU A 60 4.791 7.043 -0.955 1.00 0.00 C ATOM 883 C GLU A 60 4.064 7.043 -2.294 1.00 0.00 C ATOM 884 O GLU A 60 4.606 6.617 -3.291 1.00 0.00 O ATOM 885 CB GLU A 60 5.228 8.463 -0.598 1.00 0.00 C ATOM 886 CG GLU A 60 6.212 8.405 0.573 1.00 0.00 C ATOM 887 CD GLU A 60 5.861 9.489 1.594 1.00 0.00 C ATOM 888 OE1 GLU A 60 4.702 9.571 1.967 1.00 0.00 O ATOM 889 OE2 GLU A 60 6.758 10.217 1.988 1.00 0.00 O ATOM 0 H GLU A 60 5.947 5.308 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 60 4.128 6.675 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.696 8.940 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.361 9.067 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.175 7.423 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.231 8.547 0.212 1.00 0.00 H new ATOM 896 N TYR A 61 2.845 7.494 -2.332 1.00 0.00 N ATOM 897 CA TYR A 61 2.104 7.483 -3.626 1.00 0.00 C ATOM 898 C TYR A 61 0.996 8.534 -3.635 1.00 0.00 C ATOM 899 O TYR A 61 0.851 9.327 -2.727 1.00 0.00 O ATOM 900 CB TYR A 61 1.454 6.115 -3.805 1.00 0.00 C ATOM 901 CG TYR A 61 0.623 5.811 -2.588 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.222 5.226 -1.469 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.743 6.112 -2.576 1.00 0.00 C ATOM 904 CE1 TYR A 61 0.459 4.943 -0.335 1.00 0.00 C ATOM 905 CE2 TYR A 61 -1.509 5.829 -1.442 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.911 5.242 -0.321 1.00 0.00 C ATOM 907 OH TYR A 61 -1.666 4.962 0.800 1.00 0.00 O ATOM 0 H TYR A 61 2.331 7.867 -1.534 1.00 0.00 H new ATOM 0 HA TYR A 61 2.809 7.700 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.831 6.107 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.217 5.349 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.276 4.993 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.205 6.563 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.923 4.494 0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.563 6.063 -1.431 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.609 4.878 0.547 1.00 0.00 H new ATOM 917 N THR A 62 0.195 8.505 -4.665 1.00 0.00 N ATOM 918 CA THR A 62 -0.946 9.449 -4.779 1.00 0.00 C ATOM 919 C THR A 62 -2.205 8.613 -5.016 1.00 0.00 C ATOM 920 O THR A 62 -2.121 7.454 -5.371 1.00 0.00 O ATOM 921 CB THR A 62 -0.719 10.395 -5.959 1.00 0.00 C ATOM 922 OG1 THR A 62 0.668 10.671 -6.086 1.00 0.00 O ATOM 923 CG2 THR A 62 -1.484 11.699 -5.724 1.00 0.00 C ATOM 0 H THR A 62 0.288 7.854 -5.445 1.00 0.00 H new ATOM 0 HA THR A 62 -1.046 10.049 -3.874 1.00 0.00 H new ATOM 0 HB THR A 62 -1.079 9.926 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.813 11.276 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.322 12.373 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.549 11.485 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.127 12.170 -4.808 1.00 0.00 H new ATOM 931 N VAL A 63 -3.365 9.163 -4.818 1.00 0.00 N ATOM 932 CA VAL A 63 -4.596 8.352 -5.032 1.00 0.00 C ATOM 933 C VAL A 63 -5.273 8.753 -6.342 1.00 0.00 C ATOM 934 O VAL A 63 -5.550 9.912 -6.583 1.00 0.00 O ATOM 935 CB VAL A 63 -5.561 8.571 -3.868 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.009 10.032 -3.843 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.783 7.665 -4.043 1.00 0.00 C ATOM 0 H VAL A 63 -3.517 10.127 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.321 7.299 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.060 8.330 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.697 10.187 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.139 10.677 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.510 10.275 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.473 7.820 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.284 7.906 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.464 6.623 -4.060 1.00 0.00 H new ATOM 947 N ASP A 64 -5.556 7.797 -7.185 1.00 0.00 N ATOM 948 CA ASP A 64 -6.228 8.104 -8.465 1.00 0.00 C ATOM 949 C ASP A 64 -7.728 7.929 -8.269 1.00 0.00 C ATOM 950 O ASP A 64 -8.173 7.241 -7.372 1.00 0.00 O ATOM 951 CB ASP A 64 -5.735 7.144 -9.549 1.00 0.00 C ATOM 952 CG ASP A 64 -5.444 7.926 -10.832 1.00 0.00 C ATOM 953 OD1 ASP A 64 -6.393 8.295 -11.503 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.278 8.140 -11.119 1.00 0.00 O ATOM 0 H ASP A 64 -5.346 6.810 -7.034 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.004 9.126 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.835 6.630 -9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.487 6.378 -9.740 1.00 0.00 H new ATOM 959 N VAL A 65 -8.509 8.548 -9.093 1.00 0.00 N ATOM 960 CA VAL A 65 -9.987 8.423 -8.946 1.00 0.00 C ATOM 961 C VAL A 65 -10.625 8.099 -10.297 1.00 0.00 C ATOM 962 O VAL A 65 -10.624 8.906 -11.206 1.00 0.00 O ATOM 963 CB VAL A 65 -10.564 9.740 -8.421 1.00 0.00 C ATOM 964 CG1 VAL A 65 -12.093 9.673 -8.438 1.00 0.00 C ATOM 965 CG2 VAL A 65 -10.084 9.971 -6.988 1.00 0.00 C ATOM 0 H VAL A 65 -8.195 9.137 -9.865 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.204 7.618 -8.243 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.229 10.560 -9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.502 10.611 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.439 9.507 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.428 8.852 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.494 10.909 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.420 9.150 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.995 10.020 -6.972 1.00 0.00 H new ATOM 975 N ALA A 66 -11.180 6.928 -10.426 1.00 0.00 N ATOM 976 CA ALA A 66 -11.835 6.548 -11.708 1.00 0.00 C ATOM 977 C ALA A 66 -12.962 5.555 -11.415 1.00 0.00 C ATOM 978 O ALA A 66 -13.137 5.116 -10.295 1.00 0.00 O ATOM 979 CB ALA A 66 -10.802 5.908 -12.639 1.00 0.00 C ATOM 0 H ALA A 66 -11.209 6.215 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.247 7.433 -12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.281 5.630 -13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.001 6.620 -12.838 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.387 5.018 -12.165 1.00 0.00 H new ATOM 985 N ASP A 67 -13.729 5.197 -12.407 1.00 0.00 N ATOM 986 CA ASP A 67 -14.841 4.231 -12.174 1.00 0.00 C ATOM 987 C ASP A 67 -15.939 4.882 -11.328 1.00 0.00 C ATOM 988 O ASP A 67 -16.628 4.218 -10.582 1.00 0.00 O ATOM 989 CB ASP A 67 -14.299 3.011 -11.449 1.00 0.00 C ATOM 990 CG ASP A 67 -14.974 1.747 -11.987 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.193 1.713 -12.008 1.00 0.00 O ATOM 992 OD2 ASP A 67 -14.259 0.835 -12.366 1.00 0.00 O ATOM 0 H ASP A 67 -13.635 5.530 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.264 3.935 -13.134 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.220 2.945 -11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.479 3.103 -10.378 1.00 0.00 H new ATOM 997 N LYS A 68 -16.102 6.175 -11.446 1.00 0.00 N ATOM 998 CA LYS A 68 -17.156 6.891 -10.660 1.00 0.00 C ATOM 999 C LYS A 68 -16.628 7.224 -9.257 1.00 0.00 C ATOM 1000 O LYS A 68 -17.384 7.369 -8.316 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.435 6.026 -10.586 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.523 5.278 -9.250 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.282 3.965 -9.448 1.00 0.00 C ATOM 1004 CE LYS A 68 -18.968 3.018 -8.289 1.00 0.00 C ATOM 1005 NZ LYS A 68 -20.219 2.335 -7.853 1.00 0.00 N ATOM 0 H LYS A 68 -15.546 6.772 -12.058 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.407 7.827 -11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.313 6.660 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.441 5.310 -11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.522 5.077 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.030 5.895 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.354 4.155 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.997 3.506 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.227 2.281 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.536 3.575 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.006 1.691 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.912 3.045 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.613 1.792 -8.647 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.339 7.357 -9.111 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.775 7.690 -7.774 1.00 0.00 C ATOM 1021 C GLY A 69 -14.789 6.446 -6.883 1.00 0.00 C ATOM 1022 O GLY A 69 -14.931 6.537 -5.680 1.00 0.00 O ATOM 0 H GLY A 69 -14.653 7.250 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.756 8.061 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.357 8.487 -7.311 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.641 5.286 -7.460 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.644 4.050 -6.647 1.00 0.00 C ATOM 1028 C TYR A 70 -13.320 3.314 -6.835 1.00 0.00 C ATOM 1029 O TYR A 70 -12.656 2.962 -5.881 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.806 3.165 -7.076 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.435 2.489 -5.872 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.493 3.143 -4.624 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.970 1.197 -6.004 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.076 2.503 -3.528 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.547 0.568 -4.905 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.597 1.213 -3.673 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.155 0.569 -2.599 1.00 0.00 O ATOM 0 H TYR A 70 -14.518 5.146 -8.463 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.761 4.302 -5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.554 3.764 -7.596 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.455 2.411 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.087 4.138 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.934 0.692 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.124 3.002 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.958 -0.425 -5.009 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.445 0.190 -2.040 1.00 0.00 H new ATOM 1047 N THR A 71 -12.916 3.092 -8.054 1.00 0.00 N ATOM 1048 CA THR A 71 -11.622 2.398 -8.282 1.00 0.00 C ATOM 1049 C THR A 71 -10.495 3.421 -8.111 1.00 0.00 C ATOM 1050 O THR A 71 -10.467 4.439 -8.774 1.00 0.00 O ATOM 1051 CB THR A 71 -11.606 1.790 -9.696 1.00 0.00 C ATOM 1052 OG1 THR A 71 -10.769 0.642 -9.701 1.00 0.00 O ATOM 1053 CG2 THR A 71 -11.082 2.803 -10.718 1.00 0.00 C ATOM 0 H THR A 71 -13.424 3.360 -8.897 1.00 0.00 H new ATOM 0 HA THR A 71 -11.486 1.587 -7.566 1.00 0.00 H new ATOM 0 HB THR A 71 -12.625 1.515 -9.970 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.757 0.250 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.080 2.351 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.726 3.683 -10.721 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.067 3.097 -10.451 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.571 3.170 -7.226 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.464 4.148 -7.025 1.00 0.00 C ATOM 1063 C LEU A 72 -7.127 3.473 -7.304 1.00 0.00 C ATOM 1064 O LEU A 72 -6.609 2.733 -6.490 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.456 4.695 -5.587 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.588 4.088 -4.751 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -9.183 4.099 -3.277 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.860 4.922 -4.933 1.00 0.00 C ATOM 0 H LEU A 72 -9.533 2.338 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.621 4.978 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.497 4.475 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.559 5.780 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.775 3.064 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.984 3.668 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.274 3.511 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.001 5.125 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.666 4.491 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.674 5.945 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.146 4.924 -5.985 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.556 3.736 -8.442 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.244 3.118 -8.769 1.00 0.00 C ATOM 1082 C ASN A 73 -4.140 3.884 -8.038 1.00 0.00 C ATOM 1083 O ASN A 73 -3.828 5.011 -8.367 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.012 3.192 -10.271 1.00 0.00 C ATOM 1085 CG ASN A 73 -5.693 2.001 -10.944 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.278 1.563 -11.999 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -6.731 1.452 -10.370 1.00 0.00 N ATOM 0 H ASN A 73 -6.939 4.351 -9.160 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.235 2.074 -8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.411 4.126 -10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.944 3.185 -10.487 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.194 0.655 -10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.078 1.820 -9.485 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.561 3.286 -7.037 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.491 3.977 -6.265 1.00 0.00 C ATOM 1096 C ILE A 74 -1.166 3.900 -7.027 1.00 0.00 C ATOM 1097 O ILE A 74 -0.840 2.896 -7.627 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.342 3.303 -4.904 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.588 3.595 -4.065 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.104 3.857 -4.201 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.016 2.333 -3.316 1.00 0.00 C ATOM 0 H ILE A 74 -3.783 2.343 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.760 5.025 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.232 2.226 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.381 4.397 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.398 3.940 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.993 3.378 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.221 3.656 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.213 4.933 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.903 2.547 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.242 1.543 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.209 2.008 -2.660 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.401 4.958 -7.008 1.00 0.00 N ATOM 1114 CA LYS A 75 0.902 4.955 -7.731 1.00 0.00 C ATOM 1115 C LYS A 75 2.026 5.374 -6.777 1.00 0.00 C ATOM 1116 O LYS A 75 2.123 6.520 -6.385 1.00 0.00 O ATOM 1117 CB LYS A 75 0.837 5.941 -8.891 1.00 0.00 C ATOM 1118 CG LYS A 75 1.885 5.566 -9.941 1.00 0.00 C ATOM 1119 CD LYS A 75 1.191 5.234 -11.262 1.00 0.00 C ATOM 1120 CE LYS A 75 2.226 5.223 -12.390 1.00 0.00 C ATOM 1121 NZ LYS A 75 1.598 4.701 -13.637 1.00 0.00 N ATOM 0 H LYS A 75 -0.624 5.826 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 75 1.102 3.952 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.158 5.930 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.014 6.954 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.584 6.391 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.467 4.710 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.700 4.263 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.415 5.969 -11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.608 6.230 -12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.077 4.601 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.829 3.693 -13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.566 4.815 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.960 5.230 -14.456 1.00 0.00 H new ATOM 1135 N PHE A 76 2.880 4.458 -6.405 1.00 0.00 N ATOM 1136 CA PHE A 76 3.998 4.813 -5.485 1.00 0.00 C ATOM 1137 C PHE A 76 5.198 5.292 -6.307 1.00 0.00 C ATOM 1138 O PHE A 76 5.598 4.661 -7.265 1.00 0.00 O ATOM 1139 CB PHE A 76 4.414 3.591 -4.656 1.00 0.00 C ATOM 1140 CG PHE A 76 3.212 2.932 -4.016 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.351 2.128 -4.776 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.970 3.113 -2.650 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.249 1.513 -4.169 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.871 2.495 -2.043 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.009 1.697 -2.803 1.00 0.00 C ATOM 0 H PHE A 76 2.851 3.481 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 76 3.664 5.604 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.929 2.873 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.120 3.895 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.538 1.983 -5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.633 3.731 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.584 0.896 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.688 2.634 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.159 1.223 -2.335 1.00 0.00 H new ATOM 1155 N ALA A 77 5.778 6.404 -5.939 1.00 0.00 N ATOM 1156 CA ALA A 77 6.951 6.921 -6.699 1.00 0.00 C ATOM 1157 C ALA A 77 8.214 6.177 -6.255 1.00 0.00 C ATOM 1158 O ALA A 77 8.536 5.123 -6.765 1.00 0.00 O ATOM 1159 CB ALA A 77 7.114 8.420 -6.434 1.00 0.00 C ATOM 0 H ALA A 77 5.489 6.976 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 77 6.793 6.760 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.972 8.797 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.215 8.946 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.271 8.586 -5.368 1.00 0.00 H new ATOM 1165 N GLY A 78 8.931 6.714 -5.307 1.00 0.00 N ATOM 1166 CA GLY A 78 10.170 6.031 -4.834 1.00 0.00 C ATOM 1167 C GLY A 78 11.390 6.643 -5.521 1.00 0.00 C ATOM 1168 O GLY A 78 11.364 6.765 -6.735 1.00 0.00 O ATOM 1169 OXT GLY A 78 12.333 6.978 -4.823 1.00 0.00 O ATOM 0 H GLY A 78 8.714 7.594 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.262 6.131 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.115 4.964 -5.052 1.00 0.00 H new