USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 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 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.193 (180deg=-0.741) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.17 F(o=-2.7!,f=-1.2) USER MOD Single : A 35 CYS SG : rot -170:sc= -1.28 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.1 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.01! C(o=-5!,f=-12!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.485 K(o=-0.49,f=-6.2!) USER MOD Single : A 52 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.8!) USER MOD Single : A 54 GLN : amide:sc= -0.425 K(o=-0.42,f=-4.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0233) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.734 0.548 1.166 1.00 0.00 N ATOM 194 CA ARG A 18 8.444 1.100 0.771 1.00 0.00 C ATOM 195 C ARG A 18 8.442 1.474 -0.708 1.00 0.00 C ATOM 196 O ARG A 18 9.290 2.240 -1.165 1.00 0.00 O ATOM 197 CB ARG A 18 8.110 2.330 1.618 1.00 0.00 C ATOM 198 CG ARG A 18 8.078 2.049 3.112 1.00 0.00 C ATOM 199 CD ARG A 18 6.913 1.145 3.484 1.00 0.00 C ATOM 200 NE ARG A 18 5.650 1.876 3.544 1.00 0.00 N ATOM 201 CZ ARG A 18 5.235 2.540 4.617 1.00 0.00 C ATOM 202 NH1 ARG A 18 5.980 2.566 5.713 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.073 3.181 4.593 1.00 0.00 N ATOM 0 HA ARG A 18 7.685 0.335 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.846 3.109 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.141 2.721 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.014 1.581 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.000 2.989 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.831 0.340 2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.109 0.680 4.450 1.00 0.00 H new ATOM 0 HE ARG A 18 5.054 1.877 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.874 2.075 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.659 3.077 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.498 3.164 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.755 3.691 5.417 1.00 0.00 H new ATOM 217 N GLU A 19 7.485 0.926 -1.451 1.00 0.00 N ATOM 218 CA GLU A 19 7.376 1.201 -2.879 1.00 0.00 C ATOM 219 C GLU A 19 6.316 2.265 -3.148 1.00 0.00 C ATOM 220 O GLU A 19 5.381 2.439 -2.366 1.00 0.00 O ATOM 221 CB GLU A 19 7.034 -0.080 -3.643 1.00 0.00 C ATOM 222 CG GLU A 19 7.945 -1.250 -3.309 1.00 0.00 C ATOM 223 CD GLU A 19 8.035 -2.259 -4.437 1.00 0.00 C ATOM 224 OE1 GLU A 19 8.121 -1.834 -5.608 1.00 0.00 O ATOM 225 OE2 GLU A 19 8.021 -3.474 -4.148 1.00 0.00 O ATOM 0 H GLU A 19 6.775 0.290 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 19 8.339 1.576 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.003 -0.359 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.090 0.119 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.943 -0.875 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.578 -1.747 -2.411 1.00 0.00 H new ATOM 232 N THR A 20 6.469 2.976 -4.261 1.00 0.00 N ATOM 233 CA THR A 20 5.527 4.024 -4.634 1.00 0.00 C ATOM 234 C THR A 20 4.940 3.769 -6.017 1.00 0.00 C ATOM 235 O THR A 20 5.643 3.345 -6.933 1.00 0.00 O ATOM 236 CB THR A 20 6.197 5.411 -4.621 1.00 0.00 C ATOM 237 OG1 THR A 20 7.154 5.503 -5.683 1.00 0.00 O ATOM 238 CG2 THR A 20 6.885 5.668 -3.289 1.00 0.00 C ATOM 0 H THR A 20 7.237 2.845 -4.920 1.00 0.00 H new ATOM 0 HA THR A 20 4.727 4.008 -3.894 1.00 0.00 H new ATOM 0 HB THR A 20 5.423 6.165 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.574 6.388 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.351 6.653 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.149 5.627 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.649 4.908 -3.121 1.00 0.00 H new ATOM 246 N GLY A 21 3.644 4.030 -6.162 1.00 0.00 N ATOM 247 CA GLY A 21 2.983 3.823 -7.437 1.00 0.00 C ATOM 248 C GLY A 21 1.843 4.796 -7.664 1.00 0.00 C ATOM 249 O GLY A 21 1.988 5.997 -7.438 1.00 0.00 O ATOM 0 H GLY A 21 3.040 4.381 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.711 3.927 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.601 2.803 -7.483 1.00 0.00 H new ATOM 253 N VAL A 22 0.705 4.276 -8.115 1.00 0.00 N ATOM 254 CA VAL A 22 -0.465 5.107 -8.373 1.00 0.00 C ATOM 255 C VAL A 22 -1.753 4.307 -8.214 1.00 0.00 C ATOM 256 O VAL A 22 -1.820 3.138 -8.596 1.00 0.00 O ATOM 257 CB VAL A 22 -0.421 5.713 -9.789 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.739 4.654 -10.833 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.384 6.885 -9.896 1.00 0.00 C ATOM 0 H VAL A 22 0.569 3.284 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.449 5.913 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 22 0.587 6.082 -9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.703 5.100 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.006 3.849 -10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.736 4.252 -10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.340 7.301 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.398 6.543 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.105 7.652 -9.174 1.00 0.00 H new ATOM 269 N ILE A 23 -2.773 4.944 -7.650 1.00 0.00 N ATOM 270 CA ILE A 23 -4.060 4.292 -7.442 1.00 0.00 C ATOM 271 C ILE A 23 -4.814 4.134 -8.758 1.00 0.00 C ATOM 272 O ILE A 23 -5.535 5.036 -9.183 1.00 0.00 O ATOM 273 CB ILE A 23 -4.937 5.080 -6.452 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.257 5.157 -5.084 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.310 4.436 -6.332 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.407 3.895 -4.262 1.00 0.00 C ATOM 0 H ILE A 23 -2.733 5.911 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.851 3.307 -7.024 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.065 6.094 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.196 5.365 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.674 5.996 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.918 5.005 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.795 4.429 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.202 3.412 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.900 4.022 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.465 3.697 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.964 3.056 -4.799 1.00 0.00 H new ATOM 288 N GLU A 24 -4.644 2.980 -9.396 1.00 0.00 N ATOM 289 CA GLU A 24 -5.311 2.704 -10.663 1.00 0.00 C ATOM 290 C GLU A 24 -6.821 2.594 -10.471 1.00 0.00 C ATOM 291 O GLU A 24 -7.599 3.135 -11.257 1.00 0.00 O ATOM 292 CB GLU A 24 -4.769 1.412 -11.279 1.00 0.00 C ATOM 293 CG GLU A 24 -4.972 1.323 -12.782 1.00 0.00 C ATOM 294 CD GLU A 24 -4.583 2.600 -13.501 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.452 3.083 -13.284 1.00 0.00 O ATOM 296 OE2 GLU A 24 -5.411 3.117 -14.280 1.00 0.00 O ATOM 0 H GLU A 24 -4.051 2.222 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.108 3.534 -11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.704 1.333 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.256 0.561 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.383 0.495 -13.176 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.018 1.097 -12.991 1.00 0.00 H new ATOM 303 N LYS A 25 -7.228 1.889 -9.421 1.00 0.00 N ATOM 304 CA LYS A 25 -8.644 1.707 -9.123 1.00 0.00 C ATOM 305 C LYS A 25 -8.896 1.770 -7.620 1.00 0.00 C ATOM 306 O LYS A 25 -7.990 1.539 -6.818 1.00 0.00 O ATOM 307 CB LYS A 25 -9.135 0.368 -9.678 1.00 0.00 C ATOM 308 CG LYS A 25 -10.569 0.405 -10.175 1.00 0.00 C ATOM 309 CD LYS A 25 -11.548 0.009 -9.083 1.00 0.00 C ATOM 310 CE LYS A 25 -11.825 -1.486 -9.097 1.00 0.00 C ATOM 311 NZ LYS A 25 -12.455 -1.922 -10.375 1.00 0.00 N ATOM 0 H LYS A 25 -6.597 1.434 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.197 2.516 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.483 0.063 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.048 -0.392 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.806 1.408 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.678 -0.269 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.146 0.296 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.482 0.554 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.892 -2.030 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.479 -1.742 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.055 -2.753 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.037 -1.149 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.713 -2.169 -11.061 1.00 0.00 H new ATOM 325 N LEU A 26 -10.131 2.082 -7.245 1.00 0.00 N ATOM 326 CA LEU A 26 -10.503 2.173 -5.838 1.00 0.00 C ATOM 327 C LEU A 26 -11.949 1.734 -5.627 1.00 0.00 C ATOM 328 O LEU A 26 -12.835 2.081 -6.409 1.00 0.00 O ATOM 329 CB LEU A 26 -10.314 3.604 -5.331 1.00 0.00 C ATOM 330 CG LEU A 26 -10.155 3.766 -3.819 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.692 3.649 -3.421 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.729 5.099 -3.362 1.00 0.00 C ATOM 0 H LEU A 26 -10.892 2.276 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.853 1.505 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.434 4.026 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.170 4.198 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.709 2.967 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.598 3.767 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.313 2.670 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.115 4.426 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.607 5.197 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.203 5.912 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.789 5.144 -3.613 1.00 0.00 H new ATOM 344 N LEU A 27 -12.181 0.972 -4.564 1.00 0.00 N ATOM 345 CA LEU A 27 -13.520 0.487 -4.248 1.00 0.00 C ATOM 346 C LEU A 27 -13.881 0.791 -2.797 1.00 0.00 C ATOM 347 O LEU A 27 -13.120 1.441 -2.079 1.00 0.00 O ATOM 348 CB LEU A 27 -13.612 -1.018 -4.503 1.00 0.00 C ATOM 349 CG LEU A 27 -13.236 -1.484 -5.910 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.740 -1.738 -6.006 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.016 -2.736 -6.283 1.00 0.00 C ATOM 0 H LEU A 27 -11.459 0.677 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.229 1.003 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.966 -1.528 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.633 -1.340 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.496 -0.694 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.491 -2.069 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.200 -0.818 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.455 -2.509 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.736 -3.053 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.788 -3.532 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.084 -2.521 -6.255 1.00 0.00 H new ATOM 363 N THR A 28 -15.047 0.315 -2.370 1.00 0.00 N ATOM 364 CA THR A 28 -15.509 0.535 -1.006 1.00 0.00 C ATOM 365 C THR A 28 -14.879 -0.466 -0.044 1.00 0.00 C ATOM 366 O THR A 28 -14.877 -0.260 1.169 1.00 0.00 O ATOM 367 CB THR A 28 -17.042 0.429 -0.908 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.655 1.501 -1.632 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.495 0.466 0.544 1.00 0.00 C ATOM 0 H THR A 28 -15.688 -0.226 -2.950 1.00 0.00 H new ATOM 0 HA THR A 28 -15.204 1.544 -0.728 1.00 0.00 H new ATOM 0 HB THR A 28 -17.347 -0.523 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.630 1.425 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.581 0.390 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.050 -0.369 1.085 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.178 1.404 1.000 1.00 0.00 H new ATOM 377 N SER A 29 -14.343 -1.552 -0.594 1.00 0.00 N ATOM 378 CA SER A 29 -13.713 -2.587 0.216 1.00 0.00 C ATOM 379 C SER A 29 -12.193 -2.505 0.115 1.00 0.00 C ATOM 380 O SER A 29 -11.484 -2.668 1.108 1.00 0.00 O ATOM 381 CB SER A 29 -14.190 -3.972 -0.226 1.00 0.00 C ATOM 382 OG SER A 29 -15.539 -4.190 0.150 1.00 0.00 O ATOM 0 H SER A 29 -14.333 -1.737 -1.597 1.00 0.00 H new ATOM 0 HA SER A 29 -14.001 -2.426 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.091 -4.066 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.556 -4.738 0.221 1.00 0.00 H new ATOM 0 HG SER A 29 -15.821 -5.081 -0.145 1.00 0.00 H new ATOM 388 N TYR A 30 -11.699 -2.252 -1.092 1.00 0.00 N ATOM 389 CA TYR A 30 -10.263 -2.150 -1.325 1.00 0.00 C ATOM 390 C TYR A 30 -9.972 -1.340 -2.584 1.00 0.00 C ATOM 391 O TYR A 30 -10.880 -0.793 -3.209 1.00 0.00 O ATOM 392 CB TYR A 30 -9.645 -3.544 -1.447 1.00 0.00 C ATOM 393 CG TYR A 30 -10.576 -4.568 -2.057 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.097 -4.390 -3.333 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.937 -5.713 -1.357 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.948 -5.322 -3.894 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.786 -6.651 -1.910 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.289 -6.451 -3.179 1.00 0.00 C ATOM 399 OH TYR A 30 -13.137 -7.382 -3.733 1.00 0.00 O ATOM 0 H TYR A 30 -12.272 -2.114 -1.924 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.818 -1.636 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.742 -3.480 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.341 -3.885 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.832 -3.507 -3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.546 -5.872 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.344 -5.168 -4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.055 -7.536 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.274 -8.117 -3.100 1.00 0.00 H new ATOM 409 N GLY A 31 -8.696 -1.269 -2.952 1.00 0.00 N ATOM 410 CA GLY A 31 -8.305 -0.525 -4.136 1.00 0.00 C ATOM 411 C GLY A 31 -7.056 -1.085 -4.787 1.00 0.00 C ATOM 412 O GLY A 31 -6.280 -1.796 -4.148 1.00 0.00 O ATOM 0 H GLY A 31 -7.926 -1.713 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.123 -0.538 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.134 0.517 -3.866 1.00 0.00 H new ATOM 416 N PHE A 32 -6.862 -0.766 -6.062 1.00 0.00 N ATOM 417 CA PHE A 32 -5.699 -1.245 -6.801 1.00 0.00 C ATOM 418 C PHE A 32 -4.689 -0.121 -7.012 1.00 0.00 C ATOM 419 O PHE A 32 -5.063 1.034 -7.215 1.00 0.00 O ATOM 420 CB PHE A 32 -6.129 -1.820 -8.152 1.00 0.00 C ATOM 421 CG PHE A 32 -7.011 -3.030 -8.036 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.364 -2.894 -7.770 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.487 -4.303 -8.193 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.178 -4.006 -7.661 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.296 -5.419 -8.086 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.644 -5.270 -7.821 1.00 0.00 C ATOM 0 H PHE A 32 -7.494 -0.178 -6.605 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.224 -2.031 -6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.656 -1.049 -8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.240 -2.082 -8.726 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.787 -1.908 -7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.434 -4.425 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.231 -3.887 -7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.875 -6.406 -8.209 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.279 -6.140 -7.739 1.00 0.00 H new ATOM 436 N ILE A 33 -3.407 -0.469 -6.961 1.00 0.00 N ATOM 437 CA ILE A 33 -2.343 0.509 -7.147 1.00 0.00 C ATOM 438 C ILE A 33 -1.384 0.076 -8.251 1.00 0.00 C ATOM 439 O ILE A 33 -0.648 -0.899 -8.098 1.00 0.00 O ATOM 440 CB ILE A 33 -1.546 0.728 -5.847 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.444 1.342 -4.771 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.340 1.617 -6.109 1.00 0.00 C ATOM 443 CD1 ILE A 33 -1.998 1.026 -3.360 1.00 0.00 C ATOM 0 H ILE A 33 -3.081 -1.421 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.822 1.446 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.190 -0.238 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.467 2.424 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.463 0.982 -4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.213 1.763 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.308 1.144 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.675 2.583 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.680 1.493 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.002 -0.054 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.990 1.411 -3.202 1.00 0.00 H new ATOM 455 N GLN A 34 -1.398 0.807 -9.360 1.00 0.00 N ATOM 456 CA GLN A 34 -0.529 0.498 -10.489 1.00 0.00 C ATOM 457 C GLN A 34 0.905 0.933 -10.207 1.00 0.00 C ATOM 458 O GLN A 34 1.266 2.092 -10.419 1.00 0.00 O ATOM 459 CB GLN A 34 -1.042 1.183 -11.758 1.00 0.00 C ATOM 460 CG GLN A 34 -0.098 1.054 -12.943 1.00 0.00 C ATOM 461 CD GLN A 34 -0.412 -0.149 -13.810 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.180 -1.290 -13.478 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.178 -0.054 -14.769 1.00 0.00 N flip ATOM 0 H GLN A 34 -2.001 1.617 -9.501 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.539 -0.582 -10.638 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.009 0.756 -12.026 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.207 2.240 -11.549 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.155 1.959 -13.549 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.927 0.978 -12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.611 0.843 -14.989 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.379 -0.872 -15.344 1.00 0.00 H new ATOM 472 N CYS A 35 1.718 -0.001 -9.728 1.00 0.00 N ATOM 473 CA CYS A 35 3.114 0.286 -9.415 1.00 0.00 C ATOM 474 C CYS A 35 3.732 1.195 -10.473 1.00 0.00 C ATOM 475 O CYS A 35 3.397 1.106 -11.654 1.00 0.00 O ATOM 476 CB CYS A 35 3.913 -1.014 -9.311 1.00 0.00 C ATOM 477 SG CYS A 35 3.746 -1.858 -7.721 1.00 0.00 S ATOM 0 H CYS A 35 1.435 -0.964 -9.548 1.00 0.00 H new ATOM 0 HA CYS A 35 3.147 0.801 -8.455 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.592 -1.689 -10.104 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.967 -0.795 -9.485 1.00 0.00 H new ATOM 0 HG CYS A 35 4.612 -2.825 -7.650 1.00 0.00 H new ATOM 483 N SER A 36 4.635 2.069 -10.040 1.00 0.00 N ATOM 484 CA SER A 36 5.297 2.998 -10.949 1.00 0.00 C ATOM 485 C SER A 36 6.749 2.592 -11.178 1.00 0.00 C ATOM 486 O SER A 36 7.475 3.243 -11.928 1.00 0.00 O ATOM 487 CB SER A 36 5.234 4.421 -10.391 1.00 0.00 C ATOM 488 OG SER A 36 3.954 4.992 -10.593 1.00 0.00 O ATOM 0 H SER A 36 4.925 2.153 -9.066 1.00 0.00 H new ATOM 0 HA SER A 36 4.775 2.967 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.466 4.408 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.991 5.038 -10.874 1.00 0.00 H new ATOM 0 HG SER A 36 3.939 5.901 -10.226 1.00 0.00 H new ATOM 494 N GLU A 37 7.165 1.511 -10.525 1.00 0.00 N ATOM 495 CA GLU A 37 8.532 1.019 -10.657 1.00 0.00 C ATOM 496 C GLU A 37 8.562 -0.306 -11.414 1.00 0.00 C ATOM 497 O GLU A 37 9.484 -0.571 -12.185 1.00 0.00 O ATOM 498 CB GLU A 37 9.170 0.846 -9.278 1.00 0.00 C ATOM 499 CG GLU A 37 9.017 2.061 -8.379 1.00 0.00 C ATOM 500 CD GLU A 37 10.133 2.177 -7.359 1.00 0.00 C ATOM 501 OE1 GLU A 37 10.351 1.206 -6.604 1.00 0.00 O ATOM 502 OE2 GLU A 37 10.789 3.238 -7.315 1.00 0.00 O ATOM 0 H GLU A 37 6.576 0.960 -9.900 1.00 0.00 H new ATOM 0 HA GLU A 37 9.103 1.754 -11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.723 -0.018 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.231 0.628 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.996 2.962 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.060 2.006 -7.860 1.00 0.00 H new ATOM 509 N ARG A 38 7.547 -1.133 -11.187 1.00 0.00 N ATOM 510 CA ARG A 38 7.458 -2.431 -11.845 1.00 0.00 C ATOM 511 C ARG A 38 6.343 -2.437 -12.888 1.00 0.00 C ATOM 512 O ARG A 38 6.101 -3.448 -13.545 1.00 0.00 O ATOM 513 CB ARG A 38 7.212 -3.534 -10.814 1.00 0.00 C ATOM 514 CG ARG A 38 5.784 -3.575 -10.295 1.00 0.00 C ATOM 515 CD ARG A 38 5.556 -4.771 -9.384 1.00 0.00 C ATOM 516 NE ARG A 38 5.690 -6.037 -10.100 1.00 0.00 N ATOM 517 CZ ARG A 38 5.775 -7.217 -9.496 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.740 -7.292 -8.173 1.00 0.00 N ATOM 519 NH2 ARG A 38 5.895 -8.325 -10.216 1.00 0.00 N ATOM 0 H ARG A 38 6.775 -0.928 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 38 8.405 -2.620 -12.350 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.455 -4.498 -11.261 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.891 -3.392 -9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.567 -2.656 -9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.091 -3.619 -11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.271 -4.742 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.561 -4.707 -8.944 1.00 0.00 H new ATOM 0 HE ARG A 38 5.720 -6.014 -11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.648 -6.442 -7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.805 -8.199 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.922 -8.271 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.960 -9.231 -9.751 1.00 0.00 H new ATOM 533 N GLN A 39 5.669 -1.300 -13.032 1.00 0.00 N ATOM 534 CA GLN A 39 4.580 -1.175 -13.993 1.00 0.00 C ATOM 535 C GLN A 39 3.585 -2.320 -13.840 1.00 0.00 C ATOM 536 O GLN A 39 2.999 -2.781 -14.819 1.00 0.00 O ATOM 537 CB GLN A 39 5.131 -1.150 -15.420 1.00 0.00 C ATOM 538 CG GLN A 39 5.643 -2.499 -15.898 1.00 0.00 C ATOM 539 CD GLN A 39 5.596 -2.639 -17.407 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.286 -1.920 -18.130 1.00 0.00 O ATOM 541 NE2 GLN A 39 4.780 -3.568 -17.890 1.00 0.00 N ATOM 0 H GLN A 39 5.858 -0.453 -12.496 1.00 0.00 H new ATOM 0 HA GLN A 39 4.061 -0.237 -13.795 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.348 -0.807 -16.097 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.941 -0.423 -15.475 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.669 -2.636 -15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.047 -3.291 -15.445 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.226 -4.141 -17.253 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.707 -3.708 -18.898 1.00 0.00 H new ATOM 550 N ALA A 40 3.399 -2.775 -12.605 1.00 0.00 N ATOM 551 CA ALA A 40 2.474 -3.866 -12.323 1.00 0.00 C ATOM 552 C ALA A 40 1.300 -3.385 -11.477 1.00 0.00 C ATOM 553 O ALA A 40 1.460 -2.532 -10.604 1.00 0.00 O ATOM 554 CB ALA A 40 3.199 -5.006 -11.624 1.00 0.00 C ATOM 0 H ALA A 40 3.877 -2.405 -11.784 1.00 0.00 H new ATOM 0 HA ALA A 40 2.080 -4.229 -13.272 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.496 -5.813 -11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.999 -5.375 -12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.622 -4.647 -10.686 1.00 0.00 H new ATOM 560 N ARG A 41 0.120 -3.937 -11.742 1.00 0.00 N ATOM 561 CA ARG A 41 -1.081 -3.562 -11.006 1.00 0.00 C ATOM 562 C ARG A 41 -1.148 -4.292 -9.667 1.00 0.00 C ATOM 563 O ARG A 41 -1.385 -5.500 -9.617 1.00 0.00 O ATOM 564 CB ARG A 41 -2.330 -3.875 -11.832 1.00 0.00 C ATOM 565 CG ARG A 41 -2.759 -2.736 -12.742 1.00 0.00 C ATOM 566 CD ARG A 41 -3.458 -3.253 -13.990 1.00 0.00 C ATOM 567 NE ARG A 41 -4.842 -3.637 -13.722 1.00 0.00 N ATOM 568 CZ ARG A 41 -5.662 -4.123 -14.647 1.00 0.00 C ATOM 569 NH1 ARG A 41 -5.240 -4.284 -15.893 1.00 0.00 N ATOM 570 NH2 ARG A 41 -6.908 -4.449 -14.326 1.00 0.00 N ATOM 0 H ARG A 41 -0.029 -4.645 -12.461 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.039 -2.490 -10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.142 -4.762 -12.438 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.150 -4.118 -11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.428 -2.068 -12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.886 -2.150 -13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.438 -2.484 -14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.913 -4.112 -14.382 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.198 -3.526 -12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.283 -4.034 -16.144 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.872 -4.657 -16.601 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.237 -4.326 -13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.537 -4.822 -15.037 1.00 0.00 H new ATOM 584 N LEU A 42 -0.937 -3.551 -8.585 1.00 0.00 N ATOM 585 CA LEU A 42 -0.973 -4.127 -7.245 1.00 0.00 C ATOM 586 C LEU A 42 -2.375 -4.038 -6.651 1.00 0.00 C ATOM 587 O LEU A 42 -3.229 -3.309 -7.155 1.00 0.00 O ATOM 588 CB LEU A 42 0.026 -3.411 -6.334 1.00 0.00 C ATOM 589 CG LEU A 42 1.436 -4.002 -6.289 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.228 -3.405 -5.136 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.376 -5.518 -6.169 1.00 0.00 C ATOM 0 H LEU A 42 -0.739 -2.551 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.697 -5.179 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.099 -2.372 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.376 -3.405 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 42 1.944 -3.752 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.229 -3.837 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.301 -2.325 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.723 -3.624 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.388 -5.921 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.849 -5.790 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.847 -5.930 -7.028 1.00 0.00 H new ATOM 603 N PHE A 43 -2.604 -4.783 -5.574 1.00 0.00 N ATOM 604 CA PHE A 43 -3.902 -4.787 -4.910 1.00 0.00 C ATOM 605 C PHE A 43 -3.759 -4.428 -3.434 1.00 0.00 C ATOM 606 O PHE A 43 -3.252 -5.218 -2.638 1.00 0.00 O ATOM 607 CB PHE A 43 -4.567 -6.157 -5.051 1.00 0.00 C ATOM 608 CG PHE A 43 -5.454 -6.516 -3.893 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.240 -5.553 -3.282 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.501 -7.816 -3.417 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.056 -5.880 -2.215 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.316 -8.149 -2.351 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.095 -7.180 -1.750 1.00 0.00 C ATOM 0 H PHE A 43 -1.908 -5.391 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.529 -4.036 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.156 -6.173 -5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.794 -6.918 -5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.215 -4.535 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.894 -8.578 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.662 -5.120 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.343 -9.166 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.733 -7.438 -0.918 1.00 0.00 H new ATOM 623 N PHE A 44 -4.210 -3.230 -3.076 1.00 0.00 N ATOM 624 CA PHE A 44 -4.131 -2.765 -1.696 1.00 0.00 C ATOM 625 C PHE A 44 -5.503 -2.804 -1.030 1.00 0.00 C ATOM 626 O PHE A 44 -6.518 -2.488 -1.652 1.00 0.00 O ATOM 627 CB PHE A 44 -3.568 -1.343 -1.646 1.00 0.00 C ATOM 628 CG PHE A 44 -4.625 -0.277 -1.699 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.084 0.202 -2.915 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.158 0.246 -0.532 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.057 1.182 -2.967 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.131 1.226 -0.578 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.580 1.696 -1.796 1.00 0.00 C ATOM 0 H PHE A 44 -4.634 -2.564 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.463 -3.432 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.988 -1.223 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.881 -1.204 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.677 -0.195 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.809 -0.116 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.408 1.546 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.540 1.624 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.339 2.464 -1.833 1.00 0.00 H new ATOM 643 N HIS A 45 -5.527 -3.194 0.241 1.00 0.00 N ATOM 644 CA HIS A 45 -6.774 -3.275 0.993 1.00 0.00 C ATOM 645 C HIS A 45 -7.008 -1.999 1.796 1.00 0.00 C ATOM 646 O HIS A 45 -6.076 -1.438 2.373 1.00 0.00 O ATOM 647 CB HIS A 45 -6.752 -4.484 1.929 1.00 0.00 C ATOM 648 CG HIS A 45 -8.081 -5.161 2.064 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.251 -4.478 2.321 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.422 -6.468 1.975 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.254 -5.336 2.385 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.777 -6.550 2.178 1.00 0.00 N ATOM 0 H HIS A 45 -4.697 -3.459 0.771 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.592 -3.391 0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.022 -5.205 1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.415 -4.164 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.752 -7.293 1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.288 -5.087 2.574 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.326 -7.409 2.170 1.00 0.00 H new ATOM 661 N CYS A 46 -8.256 -1.546 1.826 1.00 0.00 N ATOM 662 CA CYS A 46 -8.612 -0.335 2.557 1.00 0.00 C ATOM 663 C CYS A 46 -8.090 -0.390 3.989 1.00 0.00 C ATOM 664 O CYS A 46 -7.939 0.640 4.646 1.00 0.00 O ATOM 665 CB CYS A 46 -10.130 -0.145 2.562 1.00 0.00 C ATOM 666 SG CYS A 46 -10.816 0.356 0.966 1.00 0.00 S ATOM 0 H CYS A 46 -9.038 -1.999 1.353 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.148 0.513 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.601 -1.078 2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.389 0.606 3.309 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.105 0.489 1.070 1.00 0.00 H new ATOM 672 N SER A 47 -7.817 -1.600 4.467 1.00 0.00 N ATOM 673 CA SER A 47 -7.316 -1.790 5.824 1.00 0.00 C ATOM 674 C SER A 47 -5.843 -1.405 5.918 1.00 0.00 C ATOM 675 O SER A 47 -5.375 -0.952 6.962 1.00 0.00 O ATOM 676 CB SER A 47 -7.504 -3.245 6.259 1.00 0.00 C ATOM 677 OG SER A 47 -7.580 -3.349 7.671 1.00 0.00 O ATOM 0 H SER A 47 -7.934 -2.463 3.936 1.00 0.00 H new ATOM 0 HA SER A 47 -7.886 -1.142 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.413 -3.647 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.674 -3.848 5.891 1.00 0.00 H new ATOM 0 HG SER A 47 -7.702 -4.288 7.924 1.00 0.00 H new ATOM 683 N GLN A 48 -5.118 -1.590 4.820 1.00 0.00 N ATOM 684 CA GLN A 48 -3.697 -1.263 4.779 1.00 0.00 C ATOM 685 C GLN A 48 -3.476 0.229 5.001 1.00 0.00 C ATOM 686 O GLN A 48 -2.653 0.629 5.825 1.00 0.00 O ATOM 687 CB GLN A 48 -3.094 -1.686 3.439 1.00 0.00 C ATOM 688 CG GLN A 48 -3.361 -3.140 3.083 1.00 0.00 C ATOM 689 CD GLN A 48 -2.776 -4.106 4.094 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.815 -3.784 4.794 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.354 -5.299 4.177 1.00 0.00 N ATOM 0 H GLN A 48 -5.490 -1.964 3.947 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.200 -1.809 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.496 -1.048 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.017 -1.519 3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.437 -3.301 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.942 -3.352 2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.148 -5.524 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.004 -5.990 4.840 1.00 0.00 H new ATOM 700 N TYR A 49 -4.214 1.048 4.260 1.00 0.00 N ATOM 701 CA TYR A 49 -4.096 2.497 4.375 1.00 0.00 C ATOM 702 C TYR A 49 -4.106 2.931 5.837 1.00 0.00 C ATOM 703 O TYR A 49 -4.823 2.363 6.660 1.00 0.00 O ATOM 704 CB TYR A 49 -5.236 3.184 3.620 1.00 0.00 C ATOM 705 CG TYR A 49 -5.065 4.681 3.497 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.827 5.237 3.199 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.142 5.540 3.677 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.666 6.604 3.086 1.00 0.00 C ATOM 709 CE2 TYR A 49 -5.991 6.909 3.564 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.751 7.436 3.269 1.00 0.00 C ATOM 711 OH TYR A 49 -4.595 8.798 3.156 1.00 0.00 O ATOM 0 H TYR A 49 -4.900 0.734 3.574 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.145 2.794 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.312 2.752 2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.176 2.975 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.976 4.589 3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.114 5.131 3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.696 7.019 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.839 7.562 3.706 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.456 9.240 3.313 1.00 0.00 H new ATOM 721 N ASN A 50 -3.304 3.943 6.153 1.00 0.00 N ATOM 722 CA ASN A 50 -3.219 4.454 7.516 1.00 0.00 C ATOM 723 C ASN A 50 -4.260 5.544 7.754 1.00 0.00 C ATOM 724 O ASN A 50 -4.921 5.569 8.791 1.00 0.00 O ATOM 725 CB ASN A 50 -1.817 5.004 7.790 1.00 0.00 C ATOM 726 CG ASN A 50 -1.591 6.358 7.146 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.949 6.575 5.989 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.994 7.277 7.896 1.00 0.00 N ATOM 0 H ASN A 50 -2.704 4.425 5.484 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.419 3.629 8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.666 5.087 8.866 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.074 4.299 7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.815 8.207 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.714 7.053 8.851 1.00 0.00 H new ATOM 735 N GLY A 51 -4.400 6.443 6.784 1.00 0.00 N ATOM 736 CA GLY A 51 -5.363 7.522 6.907 1.00 0.00 C ATOM 737 C GLY A 51 -6.778 7.075 6.599 1.00 0.00 C ATOM 738 O GLY A 51 -7.106 5.897 6.732 1.00 0.00 O ATOM 0 H GLY A 51 -3.864 6.443 5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.325 7.925 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.086 8.331 6.231 1.00 0.00 H new ATOM 742 N ASN A 52 -7.619 8.018 6.188 1.00 0.00 N ATOM 743 CA ASN A 52 -9.008 7.715 5.862 1.00 0.00 C ATOM 744 C ASN A 52 -9.200 7.601 4.353 1.00 0.00 C ATOM 745 O ASN A 52 -8.907 8.535 3.606 1.00 0.00 O ATOM 746 CB ASN A 52 -9.933 8.796 6.425 1.00 0.00 C ATOM 747 CG ASN A 52 -11.364 8.315 6.568 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.626 7.113 6.603 1.00 0.00 O ATOM 749 ND2 ASN A 52 -12.298 9.255 6.652 1.00 0.00 N ATOM 0 H ASN A 52 -7.363 8.999 6.073 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.261 6.757 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.562 9.117 7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.909 9.668 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.279 8.992 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.035 10.240 6.619 1.00 0.00 H new ATOM 756 N LEU A 53 -9.694 6.450 3.911 1.00 0.00 N ATOM 757 CA LEU A 53 -9.927 6.212 2.491 1.00 0.00 C ATOM 758 C LEU A 53 -10.584 7.423 1.837 1.00 0.00 C ATOM 759 O LEU A 53 -10.321 7.732 0.675 1.00 0.00 O ATOM 760 CB LEU A 53 -10.805 4.974 2.298 1.00 0.00 C ATOM 761 CG LEU A 53 -10.066 3.656 2.065 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.485 3.611 0.660 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.969 3.469 3.103 1.00 0.00 C ATOM 0 H LEU A 53 -9.941 5.667 4.516 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.962 6.043 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.438 4.862 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.467 5.151 1.450 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.780 2.839 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.963 2.666 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.290 3.699 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.785 4.436 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.454 2.526 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.257 4.291 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.410 3.456 4.100 1.00 0.00 H new ATOM 775 N GLN A 54 -11.439 8.106 2.592 1.00 0.00 N ATOM 776 CA GLN A 54 -12.132 9.284 2.085 1.00 0.00 C ATOM 777 C GLN A 54 -11.157 10.240 1.406 1.00 0.00 C ATOM 778 O GLN A 54 -11.427 10.748 0.317 1.00 0.00 O ATOM 779 CB GLN A 54 -12.860 10.002 3.223 1.00 0.00 C ATOM 780 CG GLN A 54 -13.924 9.152 3.898 1.00 0.00 C ATOM 781 CD GLN A 54 -15.194 9.046 3.076 1.00 0.00 C ATOM 782 OE1 GLN A 54 -15.159 9.114 1.847 1.00 0.00 O ATOM 783 NE2 GLN A 54 -16.324 8.879 3.753 1.00 0.00 N ATOM 0 H GLN A 54 -11.668 7.864 3.556 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.862 8.955 1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.130 10.315 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.324 10.907 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.526 8.153 4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.161 9.579 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.306 8.828 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -17.210 8.802 3.254 1.00 0.00 H new ATOM 792 N ASP A 55 -10.023 10.480 2.055 1.00 0.00 N ATOM 793 CA ASP A 55 -9.007 11.374 1.513 1.00 0.00 C ATOM 794 C ASP A 55 -8.353 10.767 0.275 1.00 0.00 C ATOM 795 O ASP A 55 -8.041 11.474 -0.685 1.00 0.00 O ATOM 796 CB ASP A 55 -7.944 11.673 2.571 1.00 0.00 C ATOM 797 CG ASP A 55 -6.756 12.424 2.002 1.00 0.00 C ATOM 798 OD1 ASP A 55 -5.946 11.798 1.286 1.00 0.00 O ATOM 799 OD2 ASP A 55 -6.636 13.637 2.273 1.00 0.00 O ATOM 0 H ASP A 55 -9.784 10.068 2.957 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.494 12.305 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.390 12.259 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.601 10.737 3.012 1.00 0.00 H new ATOM 804 N LEU A 56 -8.148 9.455 0.303 1.00 0.00 N ATOM 805 CA LEU A 56 -7.531 8.753 -0.816 1.00 0.00 C ATOM 806 C LEU A 56 -8.467 8.718 -2.020 1.00 0.00 C ATOM 807 O LEU A 56 -9.689 8.720 -1.871 1.00 0.00 O ATOM 808 CB LEU A 56 -7.156 7.328 -0.406 1.00 0.00 C ATOM 809 CG LEU A 56 -5.943 6.722 -1.113 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.696 7.546 -0.833 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.739 5.278 -0.680 1.00 0.00 C ATOM 0 H LEU A 56 -8.400 8.856 1.089 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.627 9.293 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.968 7.318 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.016 6.682 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.129 6.735 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.843 7.100 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.844 8.564 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.506 7.566 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.871 4.863 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.575 5.241 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.624 4.694 -0.933 1.00 0.00 H new ATOM 823 N LYS A 57 -7.885 8.685 -3.215 1.00 0.00 N ATOM 824 CA LYS A 57 -8.666 8.646 -4.445 1.00 0.00 C ATOM 825 C LYS A 57 -7.888 7.955 -5.561 1.00 0.00 C ATOM 826 O LYS A 57 -6.710 7.635 -5.404 1.00 0.00 O ATOM 827 CB LYS A 57 -9.047 10.064 -4.877 1.00 0.00 C ATOM 828 CG LYS A 57 -7.921 11.071 -4.720 1.00 0.00 C ATOM 829 CD LYS A 57 -8.191 12.338 -5.514 1.00 0.00 C ATOM 830 CE LYS A 57 -8.968 13.355 -4.693 1.00 0.00 C ATOM 831 NZ LYS A 57 -8.069 14.195 -3.854 1.00 0.00 N ATOM 0 H LYS A 57 -6.875 8.685 -3.357 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.574 8.076 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.363 10.044 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.904 10.395 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.799 11.320 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.984 10.625 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.246 12.775 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.752 12.091 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.545 13.995 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.682 12.836 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.637 14.875 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.537 13.587 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.404 14.710 -4.466 1.00 0.00 H new ATOM 845 N VAL A 58 -8.554 7.730 -6.689 1.00 0.00 N ATOM 846 CA VAL A 58 -7.925 7.079 -7.832 1.00 0.00 C ATOM 847 C VAL A 58 -7.156 8.085 -8.682 1.00 0.00 C ATOM 848 O VAL A 58 -7.707 9.096 -9.115 1.00 0.00 O ATOM 849 CB VAL A 58 -8.965 6.366 -8.716 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.322 5.862 -9.998 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.619 5.224 -7.952 1.00 0.00 C ATOM 0 H VAL A 58 -9.530 7.989 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.232 6.339 -7.432 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.740 7.083 -8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.073 5.361 -10.609 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.906 6.704 -10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.525 5.159 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.351 4.731 -8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.858 4.505 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.117 5.617 -7.066 1.00 0.00 H new ATOM 861 N GLY A 59 -5.879 7.800 -8.917 1.00 0.00 N ATOM 862 CA GLY A 59 -5.055 8.689 -9.715 1.00 0.00 C ATOM 863 C GLY A 59 -4.155 9.565 -8.865 1.00 0.00 C ATOM 864 O GLY A 59 -3.715 10.626 -9.305 1.00 0.00 O ATOM 0 H GLY A 59 -5.400 6.969 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.443 8.098 -10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.697 9.321 -10.329 1.00 0.00 H new ATOM 868 N ASP A 60 -3.884 9.120 -7.643 1.00 0.00 N ATOM 869 CA ASP A 60 -3.031 9.871 -6.728 1.00 0.00 C ATOM 870 C ASP A 60 -1.854 9.020 -6.260 1.00 0.00 C ATOM 871 O ASP A 60 -1.981 7.807 -6.091 1.00 0.00 O ATOM 872 CB ASP A 60 -3.840 10.352 -5.522 1.00 0.00 C ATOM 873 CG ASP A 60 -4.705 11.553 -5.848 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.388 11.526 -6.892 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.698 12.521 -5.058 1.00 0.00 O ATOM 0 H ASP A 60 -4.242 8.244 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.640 10.737 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.472 9.539 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.159 10.608 -4.710 1.00 0.00 H new ATOM 880 N ASP A 61 -0.711 9.664 -6.054 1.00 0.00 N ATOM 881 CA ASP A 61 0.489 8.967 -5.606 1.00 0.00 C ATOM 882 C ASP A 61 0.344 8.511 -4.157 1.00 0.00 C ATOM 883 O ASP A 61 -0.229 9.218 -3.328 1.00 0.00 O ATOM 884 CB ASP A 61 1.714 9.871 -5.749 1.00 0.00 C ATOM 885 CG ASP A 61 2.294 9.844 -7.149 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.678 10.440 -8.057 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.363 9.226 -7.337 1.00 0.00 O ATOM 0 H ASP A 61 -0.590 10.668 -6.190 1.00 0.00 H new ATOM 0 HA ASP A 61 0.623 8.086 -6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.439 10.894 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.478 9.558 -5.037 1.00 0.00 H new ATOM 892 N VAL A 62 0.866 7.325 -3.860 1.00 0.00 N ATOM 893 CA VAL A 62 0.794 6.775 -2.512 1.00 0.00 C ATOM 894 C VAL A 62 1.934 5.796 -2.257 1.00 0.00 C ATOM 895 O VAL A 62 2.351 5.066 -3.156 1.00 0.00 O ATOM 896 CB VAL A 62 -0.547 6.058 -2.268 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.612 7.052 -1.829 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.987 5.312 -3.519 1.00 0.00 C ATOM 0 H VAL A 62 1.343 6.727 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 62 0.878 7.615 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.410 5.331 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.553 6.527 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.298 7.538 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.750 7.804 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.936 4.811 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.108 6.018 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.233 4.571 -3.785 1.00 0.00 H new ATOM 908 N GLU A 63 2.434 5.785 -1.025 1.00 0.00 N ATOM 909 CA GLU A 63 3.527 4.895 -0.652 1.00 0.00 C ATOM 910 C GLU A 63 3.002 3.675 0.100 1.00 0.00 C ATOM 911 O GLU A 63 2.172 3.797 1.001 1.00 0.00 O ATOM 912 CB GLU A 63 4.549 5.639 0.210 1.00 0.00 C ATOM 913 CG GLU A 63 5.888 4.928 0.316 1.00 0.00 C ATOM 914 CD GLU A 63 6.601 5.220 1.622 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.022 4.936 2.691 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.740 5.731 1.574 1.00 0.00 O ATOM 0 H GLU A 63 2.099 6.382 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 63 4.013 4.555 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.707 6.634 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.138 5.774 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.733 3.853 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.523 5.231 -0.516 1.00 0.00 H new ATOM 923 N PHE A 64 3.493 2.499 -0.276 1.00 0.00 N ATOM 924 CA PHE A 64 3.074 1.256 0.361 1.00 0.00 C ATOM 925 C PHE A 64 4.234 0.269 0.445 1.00 0.00 C ATOM 926 O PHE A 64 5.330 0.541 -0.045 1.00 0.00 O ATOM 927 CB PHE A 64 1.911 0.629 -0.412 1.00 0.00 C ATOM 928 CG PHE A 64 2.163 0.519 -1.888 1.00 0.00 C ATOM 929 CD1 PHE A 64 2.771 -0.608 -2.418 1.00 0.00 C ATOM 930 CD2 PHE A 64 1.792 1.541 -2.746 1.00 0.00 C ATOM 931 CE1 PHE A 64 3.004 -0.712 -3.777 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.022 1.443 -4.105 1.00 0.00 C ATOM 933 CZ PHE A 64 2.628 0.314 -4.621 1.00 0.00 C ATOM 0 H PHE A 64 4.182 2.381 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 64 2.745 1.489 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.712 -0.365 -0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.013 1.225 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.066 -1.414 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.317 2.426 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.480 -1.595 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.728 2.248 -4.763 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.807 0.234 -5.683 1.00 0.00 H new ATOM 943 N GLU A 65 3.985 -0.878 1.070 1.00 0.00 N ATOM 944 CA GLU A 65 5.009 -1.904 1.219 1.00 0.00 C ATOM 945 C GLU A 65 4.579 -3.205 0.546 1.00 0.00 C ATOM 946 O GLU A 65 3.577 -3.811 0.926 1.00 0.00 O ATOM 947 CB GLU A 65 5.299 -2.155 2.700 1.00 0.00 C ATOM 948 CG GLU A 65 5.784 -3.565 2.995 1.00 0.00 C ATOM 949 CD GLU A 65 6.712 -3.624 4.193 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.926 -3.390 4.014 1.00 0.00 O ATOM 951 OE2 GLU A 65 6.226 -3.904 5.308 1.00 0.00 O ATOM 0 H GLU A 65 3.083 -1.119 1.481 1.00 0.00 H new ATOM 0 HA GLU A 65 5.917 -1.547 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.051 -1.443 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.394 -1.963 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.924 -4.211 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.301 -3.958 2.120 1.00 0.00 H new ATOM 958 N VAL A 66 5.342 -3.626 -0.457 1.00 0.00 N ATOM 959 CA VAL A 66 5.041 -4.854 -1.183 1.00 0.00 C ATOM 960 C VAL A 66 5.322 -6.083 -0.325 1.00 0.00 C ATOM 961 O VAL A 66 6.455 -6.312 0.097 1.00 0.00 O ATOM 962 CB VAL A 66 5.860 -4.952 -2.484 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.609 -6.284 -3.174 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.530 -3.791 -3.410 1.00 0.00 C ATOM 0 H VAL A 66 6.173 -3.135 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 66 3.980 -4.823 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 66 6.919 -4.895 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.196 -6.335 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.901 -7.098 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.550 -6.375 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.118 -3.876 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.469 -3.813 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.767 -2.850 -2.913 1.00 0.00 H new ATOM 974 N SER A 67 4.282 -6.871 -0.072 1.00 0.00 N ATOM 975 CA SER A 67 4.415 -8.075 0.739 1.00 0.00 C ATOM 976 C SER A 67 3.747 -9.266 0.057 1.00 0.00 C ATOM 977 O SER A 67 3.177 -9.135 -1.027 1.00 0.00 O ATOM 978 CB SER A 67 3.800 -7.855 2.122 1.00 0.00 C ATOM 979 OG SER A 67 4.437 -8.662 3.098 1.00 0.00 O ATOM 0 H SER A 67 3.338 -6.697 -0.417 1.00 0.00 H new ATOM 0 HA SER A 67 5.477 -8.291 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.889 -6.805 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.736 -8.088 2.091 1.00 0.00 H new ATOM 0 HG SER A 67 4.027 -8.502 3.973 1.00 0.00 H new ATOM 985 N SER A 68 3.822 -10.427 0.700 1.00 0.00 N ATOM 986 CA SER A 68 3.228 -11.642 0.155 1.00 0.00 C ATOM 987 C SER A 68 2.080 -12.127 1.034 1.00 0.00 C ATOM 988 O SER A 68 2.235 -12.289 2.244 1.00 0.00 O ATOM 989 CB SER A 68 4.287 -12.739 0.028 1.00 0.00 C ATOM 990 OG SER A 68 5.411 -12.281 -0.704 1.00 0.00 O ATOM 0 H SER A 68 4.288 -10.552 1.599 1.00 0.00 H new ATOM 0 HA SER A 68 2.832 -11.412 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.602 -13.061 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.856 -13.609 -0.468 1.00 0.00 H new ATOM 0 HG SER A 68 6.074 -13.000 -0.770 1.00 0.00 H new ATOM 996 N ASP A 69 0.927 -12.357 0.416 1.00 0.00 N ATOM 997 CA ASP A 69 -0.249 -12.824 1.140 1.00 0.00 C ATOM 998 C ASP A 69 0.007 -14.190 1.769 1.00 0.00 C ATOM 999 O ASP A 69 1.019 -14.833 1.489 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.456 -12.900 0.203 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.765 -13.040 0.955 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -3.061 -12.169 1.799 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.494 -14.021 0.698 1.00 0.00 O ATOM 0 H ASP A 69 0.782 -12.228 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.461 -12.110 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.490 -12.003 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.336 -13.747 -0.472 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.914 -14.627 2.621 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.786 -15.915 3.292 1.00 0.00 C ATOM 1010 C ARG A 70 -1.667 -16.966 2.622 1.00 0.00 C ATOM 1011 O ARG A 70 -1.533 -18.161 2.887 1.00 0.00 O ATOM 1012 CB ARG A 70 -1.163 -15.785 4.769 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.050 -15.216 5.634 1.00 0.00 C ATOM 1014 CD ARG A 70 0.497 -13.920 5.056 1.00 0.00 C ATOM 1015 NE ARG A 70 1.670 -14.147 4.216 1.00 0.00 N ATOM 1016 CZ ARG A 70 2.793 -14.702 4.657 1.00 0.00 C ATOM 1017 NH1 ARG A 70 2.896 -15.084 5.922 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.817 -14.876 3.831 1.00 0.00 N ATOM 0 H ARG A 70 -1.758 -14.108 2.863 1.00 0.00 H new ATOM 0 HA ARG A 70 0.253 -16.234 3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.042 -15.146 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.443 -16.766 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.426 -15.036 6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.755 -15.946 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.279 -13.429 4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.759 -13.243 5.869 1.00 0.00 H new ATOM 0 HE ARG A 70 1.624 -13.864 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.111 -14.952 6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.760 -15.510 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.742 -14.583 2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.679 -15.302 4.170 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.565 -16.512 1.755 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.468 -17.413 1.049 1.00 0.00 C ATOM 1034 C ARG A 71 -2.971 -17.680 -0.369 1.00 0.00 C ATOM 1035 O ARG A 71 -2.691 -18.822 -0.736 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.879 -16.823 1.004 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.404 -16.394 2.364 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.554 -17.580 3.303 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.340 -17.245 4.488 1.00 0.00 N ATOM 1040 CZ ARG A 71 -6.428 -18.028 5.557 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -5.782 -19.185 5.591 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.163 -17.654 6.596 1.00 0.00 N ATOM 0 H ARG A 71 -2.687 -15.526 1.524 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.494 -18.359 1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.883 -15.963 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.559 -17.561 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.724 -15.664 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.368 -15.900 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.031 -18.404 2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.567 -17.927 3.609 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.849 -16.361 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.215 -19.476 4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.852 -19.784 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.661 -16.764 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.230 -18.256 7.417 1.00 0.00 H new ATOM 1056 N THR A 72 -2.865 -16.619 -1.163 1.00 0.00 N ATOM 1057 CA THR A 72 -2.404 -16.738 -2.540 1.00 0.00 C ATOM 1058 C THR A 72 -0.903 -16.488 -2.641 1.00 0.00 C ATOM 1059 O THR A 72 -0.263 -16.881 -3.616 1.00 0.00 O ATOM 1060 CB THR A 72 -3.140 -15.752 -3.467 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.701 -14.415 -3.207 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.646 -15.845 -3.267 1.00 0.00 C ATOM 0 H THR A 72 -3.092 -15.667 -0.875 1.00 0.00 H new ATOM 0 HA THR A 72 -2.623 -17.757 -2.859 1.00 0.00 H new ATOM 0 HB THR A 72 -2.909 -16.015 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.172 -13.795 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.146 -15.140 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.981 -16.857 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.891 -15.604 -2.233 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.347 -15.833 -1.627 1.00 0.00 N ATOM 1071 CA GLY A 73 1.074 -15.542 -1.621 1.00 0.00 C ATOM 1072 C GLY A 73 1.465 -14.536 -2.685 1.00 0.00 C ATOM 1073 O GLY A 73 2.647 -14.354 -2.976 1.00 0.00 O ATOM 0 H GLY A 73 -0.856 -15.498 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.359 -15.159 -0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.631 -16.466 -1.777 1.00 0.00 H new ATOM 1077 N LYS A 74 0.468 -13.879 -3.270 1.00 0.00 N ATOM 1078 CA LYS A 74 0.712 -12.885 -4.309 1.00 0.00 C ATOM 1079 C LYS A 74 1.232 -11.584 -3.706 1.00 0.00 C ATOM 1080 O LYS A 74 0.966 -11.258 -2.549 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.572 -12.617 -5.098 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.144 -13.854 -5.767 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.516 -14.092 -7.130 1.00 0.00 C ATOM 1084 CE LYS A 74 -0.492 -15.571 -7.483 1.00 0.00 C ATOM 1085 NZ LYS A 74 0.549 -15.882 -8.501 1.00 0.00 N ATOM 0 H LYS A 74 -0.517 -14.017 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 74 1.471 -13.280 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.321 -12.199 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.370 -11.863 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.976 -14.723 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.223 -13.743 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.075 -13.545 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.501 -13.699 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.305 -16.156 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.470 -15.870 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.533 -16.900 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.357 -15.343 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.485 -15.621 -8.131 1.00 0.00 H new ATOM 1099 N PRO A 75 1.990 -10.821 -4.507 1.00 0.00 N ATOM 1100 CA PRO A 75 2.562 -9.543 -4.073 1.00 0.00 C ATOM 1101 C PRO A 75 1.498 -8.465 -3.890 1.00 0.00 C ATOM 1102 O PRO A 75 1.071 -7.831 -4.855 1.00 0.00 O ATOM 1103 CB PRO A 75 3.508 -9.171 -5.218 1.00 0.00 C ATOM 1104 CG PRO A 75 2.953 -9.870 -6.410 1.00 0.00 C ATOM 1105 CD PRO A 75 2.348 -11.147 -5.897 1.00 0.00 C ATOM 0 HA PRO A 75 3.055 -9.624 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.540 -8.092 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.528 -9.493 -5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.203 -9.256 -6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.735 -10.075 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.474 -11.440 -6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.055 -11.975 -5.946 1.00 0.00 H new ATOM 1113 N ILE A 76 1.076 -8.263 -2.647 1.00 0.00 N ATOM 1114 CA ILE A 76 0.063 -7.261 -2.338 1.00 0.00 C ATOM 1115 C ILE A 76 0.669 -6.082 -1.584 1.00 0.00 C ATOM 1116 O ILE A 76 1.784 -6.167 -1.070 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.083 -7.858 -1.499 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.533 -8.477 -0.213 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.847 -8.895 -2.309 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.531 -8.494 0.924 1.00 0.00 C ATOM 0 H ILE A 76 1.419 -8.780 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.338 -6.914 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.772 -7.058 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.212 -9.498 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.351 -7.921 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.653 -9.308 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.266 -8.425 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.170 -9.696 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.073 -8.947 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.834 -7.473 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.406 -9.074 0.631 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.074 -4.982 -1.521 1.00 0.00 N ATOM 1133 CA ALA A 77 0.387 -3.787 -0.827 1.00 0.00 C ATOM 1134 C ALA A 77 -0.162 -3.731 0.595 1.00 0.00 C ATOM 1135 O ALA A 77 -1.271 -4.194 0.861 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.015 -2.539 -1.599 1.00 0.00 C ATOM 0 H ALA A 77 -0.999 -4.894 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 77 1.475 -3.829 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.336 -1.654 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.431 -2.567 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.101 -2.501 -1.689 1.00 0.00 H new ATOM 1142 N VAL A 78 0.622 -3.162 1.505 1.00 0.00 N ATOM 1143 CA VAL A 78 0.214 -3.045 2.900 1.00 0.00 C ATOM 1144 C VAL A 78 0.694 -1.731 3.505 1.00 0.00 C ATOM 1145 O VAL A 78 1.516 -1.027 2.918 1.00 0.00 O ATOM 1146 CB VAL A 78 0.756 -4.215 3.743 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.177 -5.535 3.260 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.277 -4.242 3.700 1.00 0.00 C ATOM 0 H VAL A 78 1.543 -2.775 1.301 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.876 -3.071 2.914 1.00 0.00 H new ATOM 0 HB VAL A 78 0.447 -4.068 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.572 -6.349 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.909 -5.510 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.453 -5.694 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.643 -5.075 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.610 -4.364 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.669 -3.307 4.099 1.00 0.00 H new ATOM 1158 N LYS A 79 0.177 -1.405 4.685 1.00 0.00 N ATOM 1159 CA LYS A 79 0.553 -0.176 5.373 1.00 0.00 C ATOM 1160 C LYS A 79 0.655 0.987 4.392 1.00 0.00 C ATOM 1161 O LYS A 79 1.665 1.691 4.350 1.00 0.00 O ATOM 1162 CB LYS A 79 1.887 -0.362 6.100 1.00 0.00 C ATOM 1163 CG LYS A 79 1.966 -1.647 6.907 1.00 0.00 C ATOM 1164 CD LYS A 79 1.176 -1.541 8.201 1.00 0.00 C ATOM 1165 CE LYS A 79 -0.264 -1.992 8.012 1.00 0.00 C ATOM 1166 NZ LYS A 79 -1.166 -1.414 9.047 1.00 0.00 N ATOM 0 H LYS A 79 -0.504 -1.976 5.185 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.223 0.054 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.695 -0.352 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.050 0.486 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.582 -2.476 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.008 -1.873 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.651 -2.150 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.192 -0.510 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.610 -1.696 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.312 -3.080 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.138 -1.745 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.851 -1.717 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.140 -0.376 8.990 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.397 1.186 3.606 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.427 2.266 2.626 1.00 0.00 C ATOM 1182 C LEU A 80 -0.373 3.627 3.313 1.00 0.00 C ATOM 1183 O LEU A 80 -0.828 3.780 4.447 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.689 2.166 1.766 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.490 2.342 0.260 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.351 0.990 -0.422 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.646 3.129 -0.342 1.00 0.00 C ATOM 0 H LEU A 80 -1.241 0.613 3.628 1.00 0.00 H new ATOM 0 HA LEU A 80 0.450 2.167 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.147 1.193 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.399 2.919 2.109 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.570 2.904 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.210 1.136 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.490 0.462 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.253 0.402 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.488 3.245 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.580 2.594 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.699 4.112 0.125 1.00 0.00 H new ATOM 1199 N VAL A 81 0.184 4.613 2.618 1.00 0.00 N ATOM 1200 CA VAL A 81 0.295 5.962 3.160 1.00 0.00 C ATOM 1201 C VAL A 81 0.525 6.983 2.051 1.00 0.00 C ATOM 1202 O VAL A 81 1.479 6.874 1.280 1.00 0.00 O ATOM 1203 CB VAL A 81 1.442 6.064 4.183 1.00 0.00 C ATOM 1204 CG1 VAL A 81 2.773 5.730 3.527 1.00 0.00 C ATOM 1205 CG2 VAL A 81 1.479 7.452 4.805 1.00 0.00 C ATOM 0 H VAL A 81 0.565 4.503 1.678 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.648 6.180 3.661 1.00 0.00 H new ATOM 0 HB VAL A 81 1.263 5.339 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.572 5.807 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.740 4.714 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.963 6.429 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.295 7.506 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.634 8.197 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.534 7.649 5.312 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.354 7.976 1.976 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.247 9.019 0.962 1.00 0.00 C ATOM 1217 C LYS A 82 1.090 9.745 1.068 1.00 0.00 C ATOM 1218 O LYS A 82 1.500 10.154 2.155 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.396 10.019 1.108 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.805 10.669 -0.203 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.283 11.025 -0.211 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.614 12.004 -1.327 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.174 13.389 -0.999 1.00 0.00 N ATOM 0 H LYS A 82 -1.149 8.081 2.606 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.307 8.547 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.259 9.509 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.103 10.796 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.212 11.569 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.588 9.992 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.876 10.119 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.559 11.460 0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.133 11.679 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.689 11.998 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.535 14.048 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.544 13.659 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.135 13.429 -0.984 1.00 0.00 H new ATOM 1237 N ILE A 83 1.763 9.903 -0.066 1.00 0.00 N ATOM 1238 CA ILE A 83 3.053 10.582 -0.100 1.00 0.00 C ATOM 1239 C ILE A 83 2.900 12.066 0.215 1.00 0.00 C ATOM 1240 O ILE A 83 3.567 12.594 1.105 1.00 0.00 O ATOM 1241 CB ILE A 83 3.734 10.428 -1.473 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.486 9.027 -2.035 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.226 10.703 -1.357 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.506 8.602 -3.069 1.00 0.00 C ATOM 0 H ILE A 83 1.437 9.570 -0.973 1.00 0.00 H new ATOM 0 HA ILE A 83 3.677 10.113 0.661 1.00 0.00 H new ATOM 0 HB ILE A 83 3.303 11.156 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.491 8.309 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.492 8.994 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.694 10.590 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.382 11.719 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.673 9.997 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.268 7.599 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.486 9.298 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.500 8.602 -2.621 1.00 0.00 H new