USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 614 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 Set 1.1: A 27 THR OG1 : rot -54:sc= 0.375 USER MOD Set 1.2: A 31 THR OG1 : rot 84:sc= 0.583! USER MOD Single : A 15 THR OG1 : rot -39:sc= -0.699! USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= -0.55 (180deg=-0.971) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 37 GLN : amide:sc= -2.53! X(o=-2.5!,f=-2.1) USER MOD Single : A 38 TYR OH : rot 178:sc= -0.535 USER MOD Single : A 43 SER OG : rot -162:sc= -3.18! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -10.5! C(o=-11!,f=-14!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.659 F(o=-3.9!,f=-0.66) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -6.74! C(o=-6.7!,f=-7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.59! C(o=-1.6!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.332 0.385 2.430 1.00 0.00 N ATOM 216 CA CYS A 14 11.873 1.544 3.245 1.00 0.00 C ATOM 217 C CYS A 14 11.015 1.014 4.400 1.00 0.00 C ATOM 218 O CYS A 14 9.890 0.602 4.202 1.00 0.00 O ATOM 219 CB CYS A 14 11.028 2.401 2.295 1.00 0.00 C ATOM 220 SG CYS A 14 11.899 2.670 0.723 1.00 0.00 S ATOM 0 HA CYS A 14 12.694 2.122 3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.073 1.910 2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.807 3.361 2.763 1.00 0.00 H new ATOM 225 N THR A 15 11.538 0.990 5.597 1.00 0.00 N ATOM 226 CA THR A 15 10.740 0.445 6.739 1.00 0.00 C ATOM 227 C THR A 15 10.415 1.523 7.777 1.00 0.00 C ATOM 228 O THR A 15 9.810 1.243 8.793 1.00 0.00 O ATOM 229 CB THR A 15 11.623 -0.636 7.356 1.00 0.00 C ATOM 230 OG1 THR A 15 11.113 -0.991 8.633 1.00 0.00 O ATOM 231 CG2 THR A 15 13.044 -0.104 7.504 1.00 0.00 C ATOM 0 H THR A 15 12.473 1.320 5.834 1.00 0.00 H new ATOM 0 HA THR A 15 9.779 0.060 6.398 1.00 0.00 H new ATOM 0 HB THR A 15 11.629 -1.515 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.802 -0.186 9.096 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.677 -0.874 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.434 0.169 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.038 0.774 8.150 1.00 0.00 H new ATOM 239 N GLY A 16 10.797 2.748 7.549 1.00 0.00 N ATOM 240 CA GLY A 16 10.482 3.804 8.552 1.00 0.00 C ATOM 241 C GLY A 16 8.962 3.991 8.636 1.00 0.00 C ATOM 242 O GLY A 16 8.271 3.228 9.283 1.00 0.00 O ATOM 0 H GLY A 16 11.307 3.062 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.879 3.524 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.960 4.742 8.270 1.00 0.00 H new ATOM 246 N LYS A 17 8.434 4.999 7.993 1.00 0.00 N ATOM 247 CA LYS A 17 6.959 5.235 8.042 1.00 0.00 C ATOM 248 C LYS A 17 6.460 5.693 6.666 1.00 0.00 C ATOM 249 O LYS A 17 7.235 6.121 5.835 1.00 0.00 O ATOM 250 CB LYS A 17 6.797 6.356 9.070 1.00 0.00 C ATOM 251 CG LYS A 17 5.402 6.301 9.697 1.00 0.00 C ATOM 252 CD LYS A 17 4.657 7.600 9.394 1.00 0.00 C ATOM 253 CE LYS A 17 4.103 7.539 7.971 1.00 0.00 C ATOM 254 NZ LYS A 17 3.191 8.712 7.862 1.00 0.00 N ATOM 0 H LYS A 17 8.961 5.671 7.435 1.00 0.00 H new ATOM 0 HA LYS A 17 6.391 4.343 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.556 6.260 9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.951 7.323 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.847 5.450 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.481 6.157 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.846 7.743 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.329 8.452 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.904 7.592 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.568 6.606 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.219 8.382 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.225 9.261 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.492 9.313 7.069 1.00 0.00 H new ATOM 268 N PHE A 18 5.180 5.604 6.405 1.00 0.00 N ATOM 269 CA PHE A 18 4.676 6.041 5.068 1.00 0.00 C ATOM 270 C PHE A 18 3.549 7.066 5.190 1.00 0.00 C ATOM 271 O PHE A 18 2.628 6.911 5.966 1.00 0.00 O ATOM 272 CB PHE A 18 4.171 4.775 4.397 1.00 0.00 C ATOM 273 CG PHE A 18 5.325 4.115 3.700 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.239 3.370 4.446 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.494 4.263 2.319 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.327 2.765 3.816 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.585 3.660 1.687 1.00 0.00 C ATOM 278 CZ PHE A 18 7.502 2.909 2.436 1.00 0.00 C ATOM 0 H PHE A 18 4.471 5.253 7.049 1.00 0.00 H new ATOM 0 HA PHE A 18 5.464 6.530 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.739 4.101 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.383 5.013 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.104 3.262 5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.785 4.840 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.033 2.186 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.722 3.773 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.344 2.442 1.947 1.00 0.00 H new ATOM 288 N LYS A 19 3.615 8.109 4.407 1.00 0.00 N ATOM 289 CA LYS A 19 2.554 9.150 4.443 1.00 0.00 C ATOM 290 C LYS A 19 1.725 9.083 3.162 1.00 0.00 C ATOM 291 O LYS A 19 2.241 9.253 2.075 1.00 0.00 O ATOM 292 CB LYS A 19 3.307 10.478 4.506 1.00 0.00 C ATOM 293 CG LYS A 19 2.304 11.632 4.544 1.00 0.00 C ATOM 294 CD LYS A 19 3.030 12.950 4.267 1.00 0.00 C ATOM 295 CE LYS A 19 3.041 13.220 2.761 1.00 0.00 C ATOM 296 NZ LYS A 19 2.427 14.570 2.608 1.00 0.00 N ATOM 0 H LYS A 19 4.366 8.284 3.739 1.00 0.00 H new ATOM 0 HA LYS A 19 1.874 9.022 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.943 10.506 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.961 10.579 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.522 11.473 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.816 11.671 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.534 13.768 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.051 12.902 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.056 13.200 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.472 12.464 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.399 14.827 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.459 14.556 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.994 15.270 3.128 1.00 0.00 H new ATOM 310 N VAL A 20 0.449 8.847 3.266 1.00 0.00 N ATOM 311 CA VAL A 20 -0.376 8.788 2.031 1.00 0.00 C ATOM 312 C VAL A 20 -0.285 10.135 1.308 1.00 0.00 C ATOM 313 O VAL A 20 -0.445 11.184 1.900 1.00 0.00 O ATOM 314 CB VAL A 20 -1.807 8.527 2.504 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.729 8.386 1.291 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.847 7.233 3.322 1.00 0.00 C ATOM 0 H VAL A 20 -0.053 8.694 4.141 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.044 8.013 1.340 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.141 9.361 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.749 8.200 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.703 9.305 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.393 7.553 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.867 7.047 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.512 6.401 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.191 7.329 4.187 1.00 0.00 H new ATOM 326 N VAL A 21 -0.037 10.107 0.035 1.00 0.00 N ATOM 327 CA VAL A 21 0.058 11.362 -0.751 1.00 0.00 C ATOM 328 C VAL A 21 -1.215 11.473 -1.578 1.00 0.00 C ATOM 329 O VAL A 21 -1.690 12.545 -1.896 1.00 0.00 O ATOM 330 CB VAL A 21 1.301 11.170 -1.629 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.418 12.305 -2.645 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.545 11.165 -0.740 1.00 0.00 C ATOM 0 H VAL A 21 0.107 9.253 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 21 0.149 12.272 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 21 1.214 10.224 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.305 12.153 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.533 12.316 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.499 13.257 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.433 11.029 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.615 12.113 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.475 10.349 -0.021 1.00 0.00 H new ATOM 342 N LYS A 22 -1.787 10.342 -1.881 1.00 0.00 N ATOM 343 CA LYS A 22 -3.062 10.310 -2.639 1.00 0.00 C ATOM 344 C LYS A 22 -3.775 8.992 -2.334 1.00 0.00 C ATOM 345 O LYS A 22 -3.175 7.926 -2.346 1.00 0.00 O ATOM 346 CB LYS A 22 -2.691 10.405 -4.111 1.00 0.00 C ATOM 347 CG LYS A 22 -3.937 10.146 -4.958 1.00 0.00 C ATOM 348 CD LYS A 22 -3.526 9.473 -6.267 1.00 0.00 C ATOM 349 CE LYS A 22 -4.607 9.705 -7.325 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.152 10.906 -8.080 1.00 0.00 N ATOM 0 H LYS A 22 -1.417 9.425 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.731 11.127 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.283 11.391 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.915 9.678 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.636 9.511 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.452 11.084 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.574 9.876 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.381 8.404 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.709 8.841 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.581 9.873 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.842 11.130 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.070 11.714 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.226 10.714 -8.512 1.00 0.00 H new ATOM 364 N GLU A 23 -5.044 9.070 -2.047 1.00 0.00 N ATOM 365 CA GLU A 23 -5.830 7.849 -1.705 1.00 0.00 C ATOM 366 C GLU A 23 -5.655 6.764 -2.762 1.00 0.00 C ATOM 367 O GLU A 23 -5.330 7.033 -3.902 1.00 0.00 O ATOM 368 CB GLU A 23 -7.284 8.317 -1.655 1.00 0.00 C ATOM 369 CG GLU A 23 -8.064 7.454 -0.661 1.00 0.00 C ATOM 370 CD GLU A 23 -9.564 7.685 -0.852 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.936 8.803 -1.170 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.317 6.741 -0.675 1.00 0.00 O ATOM 0 H GLU A 23 -5.578 9.939 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.502 7.411 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.330 9.365 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.734 8.247 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.825 6.401 -0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.774 7.704 0.360 1.00 0.00 H new ATOM 379 N ILE A 24 -5.872 5.534 -2.387 1.00 0.00 N ATOM 380 CA ILE A 24 -5.725 4.421 -3.360 1.00 0.00 C ATOM 381 C ILE A 24 -6.561 4.705 -4.610 1.00 0.00 C ATOM 382 O ILE A 24 -7.723 5.052 -4.532 1.00 0.00 O ATOM 383 CB ILE A 24 -6.229 3.165 -2.621 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.036 2.402 -2.046 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.981 2.236 -3.580 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.045 2.087 -3.173 1.00 0.00 C ATOM 0 H ILE A 24 -6.146 5.253 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.696 4.294 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.902 3.483 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.548 2.996 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.373 1.479 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.328 1.356 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.837 2.763 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.314 1.926 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.193 1.543 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.537 1.477 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.700 3.017 -3.624 1.00 0.00 H new ATOM 398 N ALA A 25 -5.979 4.534 -5.758 1.00 0.00 N ATOM 399 CA ALA A 25 -6.728 4.759 -7.018 1.00 0.00 C ATOM 400 C ALA A 25 -6.967 3.408 -7.685 1.00 0.00 C ATOM 401 O ALA A 25 -6.432 2.409 -7.261 1.00 0.00 O ATOM 402 CB ALA A 25 -5.813 5.636 -7.871 1.00 0.00 C ATOM 0 H ALA A 25 -5.008 4.246 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.698 5.233 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.297 5.848 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.615 6.572 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.873 5.115 -8.050 1.00 0.00 H new ATOM 408 N GLU A 26 -7.762 3.351 -8.713 1.00 0.00 N ATOM 409 CA GLU A 26 -8.003 2.036 -9.363 1.00 0.00 C ATOM 410 C GLU A 26 -7.468 2.039 -10.794 1.00 0.00 C ATOM 411 O GLU A 26 -7.677 2.970 -11.545 1.00 0.00 O ATOM 412 CB GLU A 26 -9.518 1.857 -9.349 1.00 0.00 C ATOM 413 CG GLU A 26 -10.185 3.102 -9.935 1.00 0.00 C ATOM 414 CD GLU A 26 -10.885 3.880 -8.820 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.935 3.437 -8.385 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.359 4.905 -8.419 1.00 0.00 O ATOM 0 H GLU A 26 -8.250 4.145 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.495 1.223 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.796 0.976 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.866 1.691 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.440 3.732 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.906 2.815 -10.700 1.00 0.00 H new ATOM 423 N THR A 27 -6.771 1.004 -11.170 1.00 0.00 N ATOM 424 CA THR A 27 -6.212 0.947 -12.551 1.00 0.00 C ATOM 425 C THR A 27 -7.175 0.209 -13.486 1.00 0.00 C ATOM 426 O THR A 27 -8.161 -0.357 -13.057 1.00 0.00 O ATOM 427 CB THR A 27 -4.899 0.177 -12.415 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.181 -1.206 -12.261 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.128 0.683 -11.194 1.00 0.00 C ATOM 0 H THR A 27 -6.564 0.196 -10.583 1.00 0.00 H new ATOM 0 HA THR A 27 -6.061 1.940 -12.975 1.00 0.00 H new ATOM 0 HB THR A 27 -4.294 0.329 -13.308 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.805 -1.332 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.192 0.132 -11.100 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.913 1.745 -11.314 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.729 0.533 -10.297 1.00 0.00 H new ATOM 437 N GLN A 28 -6.895 0.212 -14.761 1.00 0.00 N ATOM 438 CA GLN A 28 -7.793 -0.488 -15.724 1.00 0.00 C ATOM 439 C GLN A 28 -7.369 -1.951 -15.874 1.00 0.00 C ATOM 440 O GLN A 28 -7.550 -2.557 -16.911 1.00 0.00 O ATOM 441 CB GLN A 28 -7.616 0.259 -17.046 1.00 0.00 C ATOM 442 CG GLN A 28 -6.134 0.276 -17.430 1.00 0.00 C ATOM 443 CD GLN A 28 -5.997 0.575 -18.924 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.515 1.563 -19.407 1.00 0.00 O ATOM 445 NE2 GLN A 28 -5.317 -0.241 -19.681 1.00 0.00 N ATOM 0 H GLN A 28 -6.084 0.669 -15.178 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.832 -0.490 -15.393 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.200 -0.224 -17.830 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.990 1.279 -16.952 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.605 1.030 -16.847 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.676 -0.685 -17.197 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.882 -1.070 -19.276 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.220 -0.050 -20.678 1.00 0.00 H new ATOM 454 N HIS A 29 -6.807 -2.523 -14.844 1.00 0.00 N ATOM 455 CA HIS A 29 -6.372 -3.948 -14.928 1.00 0.00 C ATOM 456 C HIS A 29 -6.888 -4.728 -13.716 1.00 0.00 C ATOM 457 O HIS A 29 -6.566 -5.884 -13.526 1.00 0.00 O ATOM 458 CB HIS A 29 -4.844 -3.896 -14.922 1.00 0.00 C ATOM 459 CG HIS A 29 -4.317 -4.447 -16.218 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.556 -5.605 -16.273 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.430 -4.012 -17.514 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.245 -5.824 -17.564 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.753 -4.883 -18.363 1.00 0.00 N ATOM 0 H HIS A 29 -6.630 -2.067 -13.949 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.759 -4.448 -15.816 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.505 -2.869 -14.787 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.453 -4.473 -14.084 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.964 -3.127 -17.828 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.656 -6.660 -17.911 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.664 -4.817 -19.377 1.00 0.00 H new ATOM 471 N GLY A 30 -7.683 -4.103 -12.892 1.00 0.00 N ATOM 472 CA GLY A 30 -8.214 -4.807 -11.689 1.00 0.00 C ATOM 473 C GLY A 30 -7.304 -4.515 -10.496 1.00 0.00 C ATOM 474 O GLY A 30 -7.373 -5.166 -9.473 1.00 0.00 O ATOM 0 H GLY A 30 -7.988 -3.136 -12.999 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.230 -4.475 -11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.261 -5.880 -11.872 1.00 0.00 H new ATOM 478 N THR A 31 -6.448 -3.539 -10.624 1.00 0.00 N ATOM 479 CA THR A 31 -5.526 -3.195 -9.506 1.00 0.00 C ATOM 480 C THR A 31 -5.901 -1.842 -8.908 1.00 0.00 C ATOM 481 O THR A 31 -6.832 -1.191 -9.341 1.00 0.00 O ATOM 482 CB THR A 31 -4.136 -3.109 -10.142 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.249 -3.219 -11.555 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.264 -4.242 -9.611 1.00 0.00 C ATOM 0 H THR A 31 -6.347 -2.962 -11.459 1.00 0.00 H new ATOM 0 HA THR A 31 -5.571 -3.932 -8.704 1.00 0.00 H new ATOM 0 HB THR A 31 -3.682 -2.151 -9.890 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.456 -2.340 -11.936 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.274 -4.182 -10.063 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.174 -4.155 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.720 -5.200 -9.862 1.00 0.00 H new ATOM 492 N ILE A 32 -5.160 -1.406 -7.934 1.00 0.00 N ATOM 493 CA ILE A 32 -5.433 -0.085 -7.313 1.00 0.00 C ATOM 494 C ILE A 32 -4.097 0.609 -7.102 1.00 0.00 C ATOM 495 O ILE A 32 -3.075 -0.032 -6.986 1.00 0.00 O ATOM 496 CB ILE A 32 -6.149 -0.323 -5.972 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.358 -1.821 -5.707 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.513 0.367 -6.016 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.518 -2.057 -4.204 1.00 0.00 C ATOM 0 H ILE A 32 -4.369 -1.913 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.068 0.539 -7.942 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.530 0.083 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.242 -2.175 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.509 -2.390 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.032 0.207 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.375 1.436 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.105 -0.049 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.666 -3.120 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.621 -1.719 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.381 -1.500 -3.838 1.00 0.00 H new ATOM 511 N VAL A 33 -4.078 1.904 -7.093 1.00 0.00 N ATOM 512 CA VAL A 33 -2.780 2.608 -6.945 1.00 0.00 C ATOM 513 C VAL A 33 -2.724 3.463 -5.682 1.00 0.00 C ATOM 514 O VAL A 33 -3.602 4.254 -5.412 1.00 0.00 O ATOM 515 CB VAL A 33 -2.710 3.486 -8.182 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.558 4.475 -8.040 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.495 2.600 -9.411 1.00 0.00 C ATOM 0 H VAL A 33 -4.897 2.505 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.948 1.910 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.640 4.043 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.508 5.105 -8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.720 5.099 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.621 3.929 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.444 3.223 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.563 2.045 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.325 1.900 -9.504 1.00 0.00 H new ATOM 527 N ILE A 34 -1.673 3.324 -4.922 1.00 0.00 N ATOM 528 CA ILE A 34 -1.533 4.138 -3.696 1.00 0.00 C ATOM 529 C ILE A 34 -0.345 5.077 -3.845 1.00 0.00 C ATOM 530 O ILE A 34 0.774 4.651 -4.015 1.00 0.00 O ATOM 531 CB ILE A 34 -1.328 3.129 -2.563 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.089 3.634 -1.356 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.154 2.976 -2.202 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.370 4.849 -0.781 1.00 0.00 C ATOM 0 H ILE A 34 -0.905 2.677 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.402 4.766 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.689 2.152 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.108 3.900 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.162 2.849 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.259 2.252 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.707 2.629 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.551 3.939 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.915 5.216 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.360 4.567 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.321 5.634 -1.536 1.00 0.00 H new ATOM 546 N ARG A 35 -0.577 6.346 -3.766 1.00 0.00 N ATOM 547 CA ARG A 35 0.548 7.302 -3.896 1.00 0.00 C ATOM 548 C ARG A 35 0.857 7.855 -2.513 1.00 0.00 C ATOM 549 O ARG A 35 0.042 8.508 -1.894 1.00 0.00 O ATOM 550 CB ARG A 35 0.042 8.374 -4.875 1.00 0.00 C ATOM 551 CG ARG A 35 0.412 9.782 -4.388 1.00 0.00 C ATOM 552 CD ARG A 35 0.333 10.764 -5.558 1.00 0.00 C ATOM 553 NE ARG A 35 1.740 10.919 -6.024 1.00 0.00 N ATOM 554 CZ ARG A 35 1.998 11.564 -7.129 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.026 12.079 -7.832 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.233 11.696 -7.531 1.00 0.00 N ATOM 0 H ARG A 35 -1.494 6.766 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 35 1.474 6.867 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.472 8.202 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.040 8.294 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.265 10.093 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.418 9.780 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.307 10.381 -6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.087 11.720 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 35 2.504 10.520 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.061 11.978 -7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.232 12.582 -8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.994 11.296 -6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.437 12.200 -8.394 1.00 0.00 H new ATOM 570 N VAL A 36 2.021 7.576 -2.014 1.00 0.00 N ATOM 571 CA VAL A 36 2.368 8.058 -0.671 1.00 0.00 C ATOM 572 C VAL A 36 3.752 8.639 -0.694 1.00 0.00 C ATOM 573 O VAL A 36 4.343 8.831 -1.731 1.00 0.00 O ATOM 574 CB VAL A 36 2.295 6.827 0.237 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.101 5.962 -0.163 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.580 6.003 0.107 1.00 0.00 C ATOM 0 H VAL A 36 2.745 7.033 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 36 1.698 8.841 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 36 2.180 7.157 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.052 5.087 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.183 6.540 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.215 5.641 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.519 5.130 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.702 5.679 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.435 6.613 0.399 1.00 0.00 H new ATOM 586 N GLN A 37 4.258 8.931 0.442 1.00 0.00 N ATOM 587 CA GLN A 37 5.598 9.517 0.514 1.00 0.00 C ATOM 588 C GLN A 37 6.386 8.762 1.571 1.00 0.00 C ATOM 589 O GLN A 37 5.936 8.592 2.687 1.00 0.00 O ATOM 590 CB GLN A 37 5.314 10.951 0.929 1.00 0.00 C ATOM 591 CG GLN A 37 6.628 11.715 1.103 1.00 0.00 C ATOM 592 CD GLN A 37 6.593 12.496 2.418 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.934 11.972 3.459 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.191 13.738 2.414 1.00 0.00 N ATOM 0 H GLN A 37 3.796 8.788 1.340 1.00 0.00 H new ATOM 0 HA GLN A 37 6.181 9.470 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.696 11.441 0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.750 10.964 1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.468 11.020 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.778 12.397 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.905 14.178 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.163 14.268 3.285 1.00 0.00 H new ATOM 603 N TYR A 38 7.540 8.281 1.236 1.00 0.00 N ATOM 604 CA TYR A 38 8.311 7.509 2.244 1.00 0.00 C ATOM 605 C TYR A 38 8.620 8.389 3.457 1.00 0.00 C ATOM 606 O TYR A 38 9.223 9.434 3.346 1.00 0.00 O ATOM 607 CB TYR A 38 9.597 7.082 1.536 1.00 0.00 C ATOM 608 CG TYR A 38 10.451 6.251 2.471 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.908 5.726 3.652 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.793 6.011 2.155 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.708 4.965 4.513 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.592 5.249 3.016 1.00 0.00 C ATOM 613 CZ TYR A 38 12.050 4.728 4.196 1.00 0.00 C ATOM 614 OH TYR A 38 12.838 3.978 5.045 1.00 0.00 O ATOM 0 H TYR A 38 7.982 8.384 0.322 1.00 0.00 H new ATOM 0 HA TYR A 38 7.757 6.646 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.356 6.507 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.151 7.962 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.872 5.909 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.213 6.414 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.289 4.561 5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.627 5.063 2.769 1.00 0.00 H new ATOM 0 HH TYR A 38 13.734 3.882 4.660 1.00 0.00 H new ATOM 624 N GLU A 39 8.203 7.969 4.615 1.00 0.00 N ATOM 625 CA GLU A 39 8.465 8.768 5.846 1.00 0.00 C ATOM 626 C GLU A 39 9.444 8.009 6.738 1.00 0.00 C ATOM 627 O GLU A 39 9.319 7.990 7.946 1.00 0.00 O ATOM 628 CB GLU A 39 7.107 8.899 6.534 1.00 0.00 C ATOM 629 CG GLU A 39 6.409 10.171 6.049 1.00 0.00 C ATOM 630 CD GLU A 39 5.677 10.831 7.219 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.657 10.241 8.287 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.149 11.914 7.028 1.00 0.00 O ATOM 0 H GLU A 39 7.688 7.101 4.765 1.00 0.00 H new ATOM 0 HA GLU A 39 8.901 9.744 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.491 8.027 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.237 8.933 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.140 10.861 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.703 9.930 5.254 1.00 0.00 H new ATOM 639 N GLY A 40 10.412 7.371 6.144 1.00 0.00 N ATOM 640 CA GLY A 40 11.396 6.597 6.942 1.00 0.00 C ATOM 641 C GLY A 40 12.808 7.063 6.610 1.00 0.00 C ATOM 642 O GLY A 40 13.014 8.137 6.085 1.00 0.00 O ATOM 0 H GLY A 40 10.563 7.353 5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.200 6.729 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.295 5.533 6.729 1.00 0.00 H new ATOM 646 N ASP A 41 13.782 6.256 6.912 1.00 0.00 N ATOM 647 CA ASP A 41 15.189 6.645 6.610 1.00 0.00 C ATOM 648 C ASP A 41 15.940 5.471 5.981 1.00 0.00 C ATOM 649 O ASP A 41 16.604 4.712 6.661 1.00 0.00 O ATOM 650 CB ASP A 41 15.798 7.014 7.964 1.00 0.00 C ATOM 651 CG ASP A 41 15.758 5.797 8.891 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.995 4.888 8.611 1.00 0.00 O ATOM 653 OD2 ASP A 41 16.493 5.796 9.865 1.00 0.00 O ATOM 0 H ASP A 41 13.668 5.344 7.355 1.00 0.00 H new ATOM 0 HA ASP A 41 15.246 7.471 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.826 7.350 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.246 7.842 8.409 1.00 0.00 H new ATOM 658 N GLY A 42 15.841 5.311 4.689 1.00 0.00 N ATOM 659 CA GLY A 42 16.552 4.181 4.028 1.00 0.00 C ATOM 660 C GLY A 42 16.981 4.578 2.614 1.00 0.00 C ATOM 661 O GLY A 42 17.420 3.749 1.841 1.00 0.00 O ATOM 0 H GLY A 42 15.301 5.911 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.426 3.899 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.901 3.308 3.986 1.00 0.00 H new ATOM 665 N SER A 43 16.871 5.830 2.261 1.00 0.00 N ATOM 666 CA SER A 43 17.290 6.240 0.894 1.00 0.00 C ATOM 667 C SER A 43 16.706 5.248 -0.126 1.00 0.00 C ATOM 668 O SER A 43 15.744 4.585 0.173 1.00 0.00 O ATOM 669 CB SER A 43 18.811 6.168 0.962 1.00 0.00 C ATOM 670 OG SER A 43 19.372 7.221 0.187 1.00 0.00 O ATOM 0 H SER A 43 16.513 6.578 2.854 1.00 0.00 H new ATOM 0 HA SER A 43 16.947 7.228 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.143 6.247 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.157 5.204 0.589 1.00 0.00 H new ATOM 0 HG SER A 43 20.311 7.019 -0.008 1.00 0.00 H new ATOM 676 N PRO A 44 17.283 5.169 -1.298 1.00 0.00 N ATOM 677 CA PRO A 44 16.758 4.235 -2.317 1.00 0.00 C ATOM 678 C PRO A 44 16.422 2.881 -1.683 1.00 0.00 C ATOM 679 O PRO A 44 17.271 2.025 -1.529 1.00 0.00 O ATOM 680 CB PRO A 44 17.903 4.123 -3.313 1.00 0.00 C ATOM 681 CG PRO A 44 18.612 5.433 -3.210 1.00 0.00 C ATOM 682 CD PRO A 44 18.446 5.910 -1.789 1.00 0.00 C ATOM 0 HA PRO A 44 15.833 4.574 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.564 3.292 -3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.535 3.948 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.667 5.322 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.193 6.155 -3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.333 5.701 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.280 6.986 -1.747 1.00 0.00 H new ATOM 690 N CYS A 45 15.181 2.684 -1.324 1.00 0.00 N ATOM 691 CA CYS A 45 14.773 1.391 -0.708 1.00 0.00 C ATOM 692 C CYS A 45 13.390 0.969 -1.208 1.00 0.00 C ATOM 693 O CYS A 45 12.711 1.712 -1.884 1.00 0.00 O ATOM 694 CB CYS A 45 14.755 1.621 0.807 1.00 0.00 C ATOM 695 SG CYS A 45 13.800 3.102 1.235 1.00 0.00 S ATOM 0 H CYS A 45 14.431 3.367 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 45 15.464 0.591 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.325 0.752 1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.776 1.725 1.174 1.00 0.00 H new ATOM 700 N LYS A 46 12.981 -0.230 -0.889 1.00 0.00 N ATOM 701 CA LYS A 46 11.655 -0.724 -1.364 1.00 0.00 C ATOM 702 C LYS A 46 10.522 -0.277 -0.438 1.00 0.00 C ATOM 703 O LYS A 46 10.743 0.254 0.625 1.00 0.00 O ATOM 704 CB LYS A 46 11.793 -2.246 -1.355 1.00 0.00 C ATOM 705 CG LYS A 46 12.226 -2.746 -2.734 1.00 0.00 C ATOM 706 CD LYS A 46 12.024 -4.260 -2.816 1.00 0.00 C ATOM 707 CE LYS A 46 11.847 -4.673 -4.278 1.00 0.00 C ATOM 708 NZ LYS A 46 11.915 -6.161 -4.269 1.00 0.00 N ATOM 0 H LYS A 46 13.509 -0.890 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 46 11.403 -0.329 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.524 -2.548 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.843 -2.703 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.646 -2.249 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.273 -2.498 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.881 -4.776 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.149 -4.553 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.893 -4.324 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.629 -4.246 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.801 -6.520 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.836 -6.464 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.155 -6.540 -3.669 1.00 0.00 H new ATOM 722 N ILE A 47 9.303 -0.465 -0.860 1.00 0.00 N ATOM 723 CA ILE A 47 8.150 -0.011 -0.038 1.00 0.00 C ATOM 724 C ILE A 47 7.344 -1.187 0.532 1.00 0.00 C ATOM 725 O ILE A 47 6.872 -2.031 -0.202 1.00 0.00 O ATOM 726 CB ILE A 47 7.301 0.778 -1.027 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.194 1.789 -1.751 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.186 1.509 -0.277 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.552 2.916 -0.789 1.00 0.00 C ATOM 0 H ILE A 47 9.056 -0.915 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 47 8.470 0.567 0.829 1.00 0.00 H new ATOM 0 HB ILE A 47 6.852 0.101 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.099 1.301 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.678 2.189 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.580 2.073 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.559 0.783 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.624 2.193 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.188 3.640 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.641 3.408 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.084 2.506 0.070 1.00 0.00 H new ATOM 741 N PRO A 48 7.196 -1.183 1.831 1.00 0.00 N ATOM 742 CA PRO A 48 6.416 -2.241 2.529 1.00 0.00 C ATOM 743 C PRO A 48 4.948 -2.212 2.093 1.00 0.00 C ATOM 744 O PRO A 48 4.382 -1.164 1.850 1.00 0.00 O ATOM 745 CB PRO A 48 6.528 -1.852 4.002 1.00 0.00 C ATOM 746 CG PRO A 48 7.720 -0.957 4.073 1.00 0.00 C ATOM 747 CD PRO A 48 7.740 -0.208 2.775 1.00 0.00 C ATOM 0 HA PRO A 48 6.784 -3.244 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.629 -1.340 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.655 -2.731 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.647 -0.273 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.635 -1.533 4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.131 0.695 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.749 0.101 2.501 1.00 0.00 H new ATOM 755 N PHE A 49 4.330 -3.354 1.992 1.00 0.00 N ATOM 756 CA PHE A 49 2.906 -3.406 1.573 1.00 0.00 C ATOM 757 C PHE A 49 2.245 -4.683 2.106 1.00 0.00 C ATOM 758 O PHE A 49 2.913 -5.649 2.418 1.00 0.00 O ATOM 759 CB PHE A 49 2.981 -3.451 0.059 1.00 0.00 C ATOM 760 CG PHE A 49 1.721 -2.862 -0.534 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.614 -1.477 -0.713 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.658 -3.696 -0.905 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.449 -0.928 -1.259 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.506 -3.145 -1.452 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.611 -1.761 -1.629 1.00 0.00 C ATOM 0 H PHE A 49 4.756 -4.261 2.184 1.00 0.00 H new ATOM 0 HA PHE A 49 2.320 -2.566 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.852 -2.894 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.106 -4.480 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.432 -0.832 -0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.737 -4.764 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.368 0.140 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.325 -3.789 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.510 -1.337 -2.051 1.00 0.00 H new ATOM 775 N GLU A 50 0.943 -4.703 2.205 1.00 0.00 N ATOM 776 CA GLU A 50 0.262 -5.933 2.709 1.00 0.00 C ATOM 777 C GLU A 50 -1.259 -5.797 2.576 1.00 0.00 C ATOM 778 O GLU A 50 -1.895 -5.065 3.308 1.00 0.00 O ATOM 779 CB GLU A 50 0.670 -6.040 4.180 1.00 0.00 C ATOM 780 CG GLU A 50 -0.209 -7.077 4.882 1.00 0.00 C ATOM 781 CD GLU A 50 0.183 -8.481 4.414 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.354 -8.686 4.138 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.693 -9.326 4.341 1.00 0.00 O ATOM 0 H GLU A 50 0.325 -3.929 1.961 1.00 0.00 H new ATOM 0 HA GLU A 50 0.546 -6.820 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.719 -6.326 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.567 -5.071 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.092 -6.997 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.259 -6.889 4.660 1.00 0.00 H new ATOM 790 N ILE A 51 -1.845 -6.500 1.644 1.00 0.00 N ATOM 791 CA ILE A 51 -3.323 -6.416 1.463 1.00 0.00 C ATOM 792 C ILE A 51 -4.008 -7.605 2.143 1.00 0.00 C ATOM 793 O ILE A 51 -4.135 -8.670 1.572 1.00 0.00 O ATOM 794 CB ILE A 51 -3.543 -6.468 -0.050 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.685 -5.396 -0.726 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.019 -6.210 -0.360 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.814 -5.522 -2.245 1.00 0.00 C ATOM 0 H ILE A 51 -1.364 -7.129 1.000 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.740 -5.511 1.905 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.260 -7.451 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.003 -4.404 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.642 -5.508 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.176 -6.247 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.631 -6.972 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.303 -5.227 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.203 -4.759 -2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.475 -6.509 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.856 -5.388 -2.534 1.00 0.00 H new ATOM 970 N GLY A 61 -4.497 -11.006 -2.605 1.00 0.00 N ATOM 971 CA GLY A 61 -4.182 -9.708 -3.267 1.00 0.00 C ATOM 972 C GLY A 61 -2.839 -9.812 -3.989 1.00 0.00 C ATOM 973 O GLY A 61 -2.046 -10.694 -3.724 1.00 0.00 O ATOM 0 HA2 GLY A 61 -4.968 -9.450 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.147 -8.910 -2.526 1.00 0.00 H new ATOM 977 N ARG A 62 -2.577 -8.915 -4.898 1.00 0.00 N ATOM 978 CA ARG A 62 -1.283 -8.956 -5.640 1.00 0.00 C ATOM 979 C ARG A 62 -0.683 -7.557 -5.728 1.00 0.00 C ATOM 980 O ARG A 62 -1.361 -6.565 -5.557 1.00 0.00 O ATOM 981 CB ARG A 62 -1.636 -9.467 -7.034 1.00 0.00 C ATOM 982 CG ARG A 62 -0.682 -10.600 -7.416 1.00 0.00 C ATOM 983 CD ARG A 62 0.176 -10.166 -8.607 1.00 0.00 C ATOM 984 NE ARG A 62 -0.557 -10.656 -9.808 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.521 -11.922 -10.127 1.00 0.00 C ATOM 986 NH1 ARG A 62 0.159 -12.765 -9.398 1.00 0.00 N ATOM 987 NH2 ARG A 62 -1.166 -12.346 -11.180 1.00 0.00 N ATOM 0 H ARG A 62 -3.203 -8.154 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.548 -9.592 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.666 -9.822 -7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.565 -8.657 -7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.045 -10.854 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.248 -11.496 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.297 -9.083 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.176 -10.597 -8.551 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.088 -10.001 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.665 -12.436 -8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.184 -13.753 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.697 -11.689 -11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.139 -13.334 -11.431 1.00 0.00 H new ATOM 1001 N LEU A 63 0.586 -7.471 -6.001 1.00 0.00 N ATOM 1002 CA LEU A 63 1.232 -6.141 -6.108 1.00 0.00 C ATOM 1003 C LEU A 63 1.896 -5.995 -7.476 1.00 0.00 C ATOM 1004 O LEU A 63 2.879 -6.643 -7.770 1.00 0.00 O ATOM 1005 CB LEU A 63 2.280 -6.123 -4.999 1.00 0.00 C ATOM 1006 CG LEU A 63 2.293 -4.751 -4.335 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.421 -3.675 -5.410 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.987 -4.551 -3.565 1.00 0.00 C ATOM 0 H LEU A 63 1.204 -8.268 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 63 0.520 -5.321 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.058 -6.894 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.264 -6.349 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 63 3.135 -4.681 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.431 -2.691 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.348 -3.822 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.575 -3.742 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.992 -3.571 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.145 -4.615 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.892 -5.324 -2.803 1.00 0.00 H new ATOM 1020 N ILE A 64 1.377 -5.140 -8.307 1.00 0.00 N ATOM 1021 CA ILE A 64 1.997 -4.947 -9.648 1.00 0.00 C ATOM 1022 C ILE A 64 3.326 -4.235 -9.461 1.00 0.00 C ATOM 1023 O ILE A 64 4.260 -4.394 -10.222 1.00 0.00 O ATOM 1024 CB ILE A 64 1.016 -4.057 -10.407 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.407 -4.609 -10.261 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.401 -4.010 -11.883 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.392 -6.136 -10.377 1.00 0.00 C ATOM 0 H ILE A 64 0.554 -4.567 -8.119 1.00 0.00 H new ATOM 0 HA ILE A 64 2.183 -5.880 -10.180 1.00 0.00 H new ATOM 0 HB ILE A 64 1.053 -3.049 -9.993 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.823 -4.313 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.051 -4.184 -11.031 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.699 -3.374 -12.422 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.408 -3.605 -11.984 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.371 -5.017 -12.299 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.407 -6.519 -10.272 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.005 -6.423 -11.351 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.237 -6.554 -9.591 1.00 0.00 H new ATOM 1039 N THR A 65 3.398 -3.451 -8.433 1.00 0.00 N ATOM 1040 CA THR A 65 4.637 -2.700 -8.128 1.00 0.00 C ATOM 1041 C THR A 65 5.310 -3.351 -6.908 1.00 0.00 C ATOM 1042 O THR A 65 5.978 -2.712 -6.124 1.00 0.00 O ATOM 1043 CB THR A 65 4.114 -1.272 -7.873 1.00 0.00 C ATOM 1044 OG1 THR A 65 4.476 -0.441 -8.966 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.676 -0.676 -6.586 1.00 0.00 C ATOM 0 H THR A 65 2.633 -3.295 -7.776 1.00 0.00 H new ATOM 0 HA THR A 65 5.400 -2.695 -8.906 1.00 0.00 H new ATOM 0 HB THR A 65 3.030 -1.328 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.144 0.468 -8.810 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.280 0.330 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.387 -1.299 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.763 -0.633 -6.650 1.00 0.00 H new ATOM 1053 N VAL A 66 5.116 -4.641 -6.780 1.00 0.00 N ATOM 1054 CA VAL A 66 5.697 -5.435 -5.643 1.00 0.00 C ATOM 1055 C VAL A 66 6.759 -4.656 -4.878 1.00 0.00 C ATOM 1056 O VAL A 66 7.837 -4.393 -5.376 1.00 0.00 O ATOM 1057 CB VAL A 66 6.325 -6.668 -6.292 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.238 -7.372 -5.283 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.223 -7.632 -6.737 1.00 0.00 C ATOM 0 H VAL A 66 4.563 -5.195 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 66 4.924 -5.684 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 66 6.910 -6.359 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.685 -8.251 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.026 -6.689 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.654 -7.678 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.673 -8.510 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.636 -7.938 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.574 -7.135 -7.458 1.00 0.00 H new ATOM 1069 N ASN A 67 6.467 -4.301 -3.664 1.00 0.00 N ATOM 1070 CA ASN A 67 7.459 -3.557 -2.856 1.00 0.00 C ATOM 1071 C ASN A 67 8.121 -2.465 -3.702 1.00 0.00 C ATOM 1072 O ASN A 67 9.289 -2.552 -4.023 1.00 0.00 O ATOM 1073 CB ASN A 67 8.475 -4.622 -2.442 1.00 0.00 C ATOM 1074 CG ASN A 67 9.109 -4.237 -1.105 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.867 -3.162 -0.593 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.916 -5.075 -0.513 1.00 0.00 N ATOM 0 H ASN A 67 5.582 -4.495 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 67 7.016 -3.052 -1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.985 -5.592 -2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.246 -4.720 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.343 -4.827 0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.119 -5.977 -0.943 1.00 0.00 H new ATOM 1083 N PRO A 68 7.345 -1.465 -4.032 1.00 0.00 N ATOM 1084 CA PRO A 68 7.865 -0.343 -4.845 1.00 0.00 C ATOM 1085 C PRO A 68 9.135 0.199 -4.202 1.00 0.00 C ATOM 1086 O PRO A 68 9.614 -0.352 -3.237 1.00 0.00 O ATOM 1087 CB PRO A 68 6.749 0.704 -4.825 1.00 0.00 C ATOM 1088 CG PRO A 68 5.658 0.160 -3.946 1.00 0.00 C ATOM 1089 CD PRO A 68 5.940 -1.296 -3.678 1.00 0.00 C ATOM 0 HA PRO A 68 8.120 -0.635 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.118 1.655 -4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.377 0.891 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.614 0.716 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.689 0.275 -4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.760 -1.550 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.299 -1.942 -4.278 1.00 0.00 H new ATOM 1097 N ILE A 69 9.695 1.261 -4.723 1.00 0.00 N ATOM 1098 CA ILE A 69 10.948 1.794 -4.113 1.00 0.00 C ATOM 1099 C ILE A 69 10.987 3.321 -4.130 1.00 0.00 C ATOM 1100 O ILE A 69 10.598 3.957 -5.089 1.00 0.00 O ATOM 1101 CB ILE A 69 12.081 1.264 -4.995 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.141 -0.272 -4.882 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.407 1.908 -4.559 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.512 -0.745 -4.370 1.00 0.00 C ATOM 0 H ILE A 69 9.345 1.775 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 69 11.025 1.484 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 69 11.901 1.523 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.359 -0.619 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.941 -0.718 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.217 1.533 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.338 2.991 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.608 1.658 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.520 -1.833 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.290 -0.419 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.699 -0.319 -3.384 1.00 0.00 H new ATOM 1116 N VAL A 70 11.517 3.904 -3.091 1.00 0.00 N ATOM 1117 CA VAL A 70 11.656 5.390 -3.063 1.00 0.00 C ATOM 1118 C VAL A 70 13.100 5.722 -3.431 1.00 0.00 C ATOM 1119 O VAL A 70 13.960 4.867 -3.363 1.00 0.00 O ATOM 1120 CB VAL A 70 11.348 5.827 -1.631 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.321 7.356 -1.558 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.980 5.282 -1.224 1.00 0.00 C ATOM 0 H VAL A 70 11.859 3.419 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 70 10.987 5.896 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 70 12.116 5.443 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.101 7.668 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.291 7.752 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.551 7.739 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.755 5.590 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.218 5.673 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.991 4.194 -1.280 1.00 0.00 H new ATOM 1132 N THR A 71 13.383 6.927 -3.836 1.00 0.00 N ATOM 1133 CA THR A 71 14.787 7.251 -4.223 1.00 0.00 C ATOM 1134 C THR A 71 15.407 8.298 -3.294 1.00 0.00 C ATOM 1135 O THR A 71 16.609 8.470 -3.272 1.00 0.00 O ATOM 1136 CB THR A 71 14.690 7.795 -5.647 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.804 6.981 -6.404 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.076 7.781 -6.292 1.00 0.00 C ATOM 0 H THR A 71 12.715 7.694 -3.916 1.00 0.00 H new ATOM 0 HA THR A 71 15.428 6.372 -4.152 1.00 0.00 H new ATOM 0 HB THR A 71 14.312 8.817 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.739 7.330 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.008 8.169 -7.308 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.754 8.405 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.455 6.759 -6.318 1.00 0.00 H new ATOM 1146 N GLU A 72 14.619 9.012 -2.539 1.00 0.00 N ATOM 1147 CA GLU A 72 15.225 10.044 -1.646 1.00 0.00 C ATOM 1148 C GLU A 72 14.520 10.104 -0.294 1.00 0.00 C ATOM 1149 O GLU A 72 14.624 11.082 0.421 1.00 0.00 O ATOM 1150 CB GLU A 72 15.048 11.361 -2.395 1.00 0.00 C ATOM 1151 CG GLU A 72 15.645 11.230 -3.795 1.00 0.00 C ATOM 1152 CD GLU A 72 16.062 12.610 -4.307 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.194 13.341 -4.754 1.00 0.00 O ATOM 1154 OE2 GLU A 72 17.242 12.912 -4.243 1.00 0.00 O ATOM 0 H GLU A 72 13.603 8.931 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 72 16.270 9.819 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.990 11.616 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.538 12.170 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.507 10.564 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.916 10.785 -4.472 1.00 0.00 H new ATOM 1161 N LYS A 73 13.806 9.075 0.070 1.00 0.00 N ATOM 1162 CA LYS A 73 13.099 9.078 1.387 1.00 0.00 C ATOM 1163 C LYS A 73 11.903 10.032 1.368 1.00 0.00 C ATOM 1164 O LYS A 73 11.141 10.092 2.307 1.00 0.00 O ATOM 1165 CB LYS A 73 14.139 9.546 2.406 1.00 0.00 C ATOM 1166 CG LYS A 73 13.753 9.047 3.798 1.00 0.00 C ATOM 1167 CD LYS A 73 13.771 10.218 4.782 1.00 0.00 C ATOM 1168 CE LYS A 73 12.337 10.584 5.168 1.00 0.00 C ATOM 1169 NZ LYS A 73 12.396 12.023 5.548 1.00 0.00 N ATOM 0 H LYS A 73 13.680 8.230 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 73 12.704 8.091 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.125 9.169 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.202 10.634 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.761 8.595 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.448 8.273 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.341 9.950 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.268 11.077 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.651 10.423 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.983 9.971 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.448 12.348 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.051 12.145 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.730 12.583 4.738 1.00 0.00 H new ATOM 1183 N ASP A 74 11.730 10.782 0.320 1.00 0.00 N ATOM 1184 CA ASP A 74 10.580 11.721 0.268 1.00 0.00 C ATOM 1185 C ASP A 74 9.932 11.693 -1.117 1.00 0.00 C ATOM 1186 O ASP A 74 8.954 12.370 -1.363 1.00 0.00 O ATOM 1187 CB ASP A 74 11.189 13.090 0.550 1.00 0.00 C ATOM 1188 CG ASP A 74 10.108 14.035 1.077 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.777 13.932 2.246 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.629 14.846 0.300 1.00 0.00 O ATOM 0 H ASP A 74 12.334 10.786 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 74 9.798 11.463 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.993 12.998 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.630 13.497 -0.360 1.00 0.00 H new ATOM 1195 N SER A 75 10.456 10.910 -2.020 1.00 0.00 N ATOM 1196 CA SER A 75 9.851 10.841 -3.376 1.00 0.00 C ATOM 1197 C SER A 75 8.527 10.081 -3.293 1.00 0.00 C ATOM 1198 O SER A 75 8.509 8.897 -3.018 1.00 0.00 O ATOM 1199 CB SER A 75 10.866 10.071 -4.222 1.00 0.00 C ATOM 1200 OG SER A 75 10.391 9.979 -5.559 1.00 0.00 O ATOM 0 H SER A 75 11.274 10.318 -1.876 1.00 0.00 H new ATOM 0 HA SER A 75 9.640 11.822 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.832 10.576 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.019 9.074 -3.809 1.00 0.00 H new ATOM 0 HG SER A 75 11.040 9.487 -6.104 1.00 0.00 H new ATOM 1206 N PRO A 76 7.457 10.792 -3.515 1.00 0.00 N ATOM 1207 CA PRO A 76 6.116 10.172 -3.442 1.00 0.00 C ATOM 1208 C PRO A 76 6.091 8.880 -4.263 1.00 0.00 C ATOM 1209 O PRO A 76 6.450 8.868 -5.424 1.00 0.00 O ATOM 1210 CB PRO A 76 5.191 11.227 -4.045 1.00 0.00 C ATOM 1211 CG PRO A 76 5.920 12.526 -3.896 1.00 0.00 C ATOM 1212 CD PRO A 76 7.395 12.217 -3.859 1.00 0.00 C ATOM 0 HA PRO A 76 5.822 9.897 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.981 11.012 -5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.233 11.252 -3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.689 13.193 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.612 13.036 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.867 12.415 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.911 12.828 -3.119 1.00 0.00 H new ATOM 1220 N VAL A 77 5.682 7.788 -3.673 1.00 0.00 N ATOM 1221 CA VAL A 77 5.655 6.503 -4.436 1.00 0.00 C ATOM 1222 C VAL A 77 4.221 6.012 -4.664 1.00 0.00 C ATOM 1223 O VAL A 77 3.374 6.097 -3.796 1.00 0.00 O ATOM 1224 CB VAL A 77 6.424 5.513 -3.575 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.430 4.158 -4.275 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.861 6.003 -3.414 1.00 0.00 C ATOM 0 H VAL A 77 5.368 7.728 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 77 6.095 6.622 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 77 5.956 5.424 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.979 3.437 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.405 3.813 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.911 4.253 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.419 5.298 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.331 6.079 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.860 6.982 -2.935 1.00 0.00 H new ATOM 1236 N ASN A 78 3.952 5.486 -5.831 1.00 0.00 N ATOM 1237 CA ASN A 78 2.587 4.968 -6.139 1.00 0.00 C ATOM 1238 C ASN A 78 2.607 3.435 -6.114 1.00 0.00 C ATOM 1239 O ASN A 78 3.497 2.829 -6.678 1.00 0.00 O ATOM 1240 CB ASN A 78 2.296 5.457 -7.558 1.00 0.00 C ATOM 1241 CG ASN A 78 2.720 6.921 -7.696 1.00 0.00 C ATOM 1242 OD1 ASN A 78 2.792 7.670 -6.630 1.00 0.00 O flip ATOM 1243 ND2 ASN A 78 2.988 7.387 -8.785 1.00 0.00 N flip ATOM 0 H ASN A 78 4.627 5.393 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 78 1.838 5.306 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.832 4.843 -8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.233 5.354 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.932 6.801 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.269 8.364 -8.866 1.00 0.00 H new ATOM 1250 N ILE A 79 1.663 2.776 -5.480 1.00 0.00 N ATOM 1251 CA ILE A 79 1.735 1.285 -5.488 1.00 0.00 C ATOM 1252 C ILE A 79 0.518 0.667 -6.172 1.00 0.00 C ATOM 1253 O ILE A 79 -0.611 0.845 -5.760 1.00 0.00 O ATOM 1254 CB ILE A 79 1.810 0.866 -4.025 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.898 1.689 -3.317 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.163 -0.622 -3.965 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.280 1.021 -1.995 1.00 0.00 C ATOM 0 H ILE A 79 0.877 3.188 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 79 2.601 0.938 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 79 0.854 1.040 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.776 1.775 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.538 2.701 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.221 -0.940 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.394 -1.199 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.125 -0.787 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.052 1.610 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.402 0.958 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.659 0.018 -2.190 1.00 0.00 H new ATOM 1269 N GLU A 80 0.763 -0.071 -7.218 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.336 -0.737 -7.966 1.00 0.00 C ATOM 1271 C GLU A 80 -0.518 -2.164 -7.440 1.00 0.00 C ATOM 1272 O GLU A 80 0.325 -3.016 -7.636 1.00 0.00 O ATOM 1273 CB GLU A 80 0.146 -0.752 -9.417 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.878 -1.474 -10.290 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.512 -0.484 -11.269 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.176 0.687 -11.199 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.320 -0.914 -12.075 1.00 0.00 O ATOM 0 H GLU A 80 1.696 -0.243 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.296 -0.231 -7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.288 0.268 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.113 -1.251 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.396 -2.284 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.648 -1.926 -9.665 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.601 -2.433 -6.760 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.807 -3.806 -6.216 1.00 0.00 C ATOM 1286 C ALA A 81 -3.146 -4.383 -6.675 1.00 0.00 C ATOM 1287 O ALA A 81 -4.114 -3.675 -6.850 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.787 -3.636 -4.693 1.00 0.00 C ATOM 0 H ALA A 81 -2.347 -1.767 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.040 -4.498 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.933 -4.606 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.827 -3.221 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.587 -2.960 -4.392 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.206 -5.673 -6.865 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.482 -6.307 -7.305 1.00 0.00 C ATOM 1296 C GLU A 82 -5.200 -6.925 -6.101 1.00 0.00 C ATOM 1297 O GLU A 82 -4.834 -7.989 -5.640 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.065 -7.391 -8.299 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.266 -8.283 -8.616 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.364 -8.487 -10.130 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.359 -8.832 -10.727 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -6.444 -8.293 -10.664 1.00 0.00 O ATOM 0 H GLU A 82 -2.425 -6.316 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.170 -5.590 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.686 -6.934 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.255 -7.989 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.160 -9.245 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.181 -7.826 -8.240 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.197 -6.230 -5.629 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.976 -6.708 -4.460 1.00 0.00 C ATOM 1311 C PRO A 83 -7.644 -8.050 -4.773 1.00 0.00 C ATOM 1312 O PRO A 83 -8.078 -8.285 -5.884 1.00 0.00 O ATOM 1313 CB PRO A 83 -8.025 -5.619 -4.235 1.00 0.00 C ATOM 1314 CG PRO A 83 -8.038 -4.798 -5.487 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.688 -4.947 -6.134 1.00 0.00 C ATOM 0 HA PRO A 83 -6.354 -6.873 -3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.006 -6.055 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.773 -5.007 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.826 -5.136 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.241 -3.752 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.764 -4.948 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.022 -4.129 -5.862 1.00 0.00 H new ATOM 1323 N PRO A 84 -7.702 -8.887 -3.774 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.323 -10.225 -3.934 1.00 0.00 C ATOM 1325 C PRO A 84 -9.815 -10.085 -4.247 1.00 0.00 C ATOM 1326 O PRO A 84 -10.255 -10.342 -5.350 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.115 -10.898 -2.576 1.00 0.00 C ATOM 1328 CG PRO A 84 -7.803 -9.790 -1.619 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.199 -8.666 -2.417 1.00 0.00 C ATOM 0 HA PRO A 84 -7.888 -10.798 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.008 -11.442 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -7.300 -11.621 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.707 -9.457 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.110 -10.131 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.504 -7.693 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.110 -8.694 -2.385 1.00 0.00 H new ATOM 1387 N TYR A 89 -7.948 -4.016 2.711 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.184 -2.907 3.351 1.00 0.00 C ATOM 1389 C TYR A 89 -5.741 -2.897 2.842 1.00 0.00 C ATOM 1390 O TYR A 89 -4.932 -3.719 3.225 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.217 -3.208 4.851 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.614 -3.610 5.258 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.014 -4.947 5.162 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.510 -2.643 5.733 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.309 -5.320 5.540 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.805 -3.017 6.111 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.205 -4.354 6.015 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.482 -4.722 6.388 1.00 0.00 O ATOM 0 HA TYR A 89 -7.612 -1.931 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.515 -4.008 5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.902 -2.330 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.323 -5.692 4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.202 -1.611 5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.617 -6.352 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.496 -2.272 6.477 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.974 -3.932 6.695 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.410 -1.971 1.987 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.019 -1.907 1.461 1.00 0.00 C ATOM 1410 C ILE A 90 -3.082 -1.357 2.541 1.00 0.00 C ATOM 1411 O ILE A 90 -3.151 -0.199 2.902 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.092 -0.954 0.264 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.636 -1.709 -0.951 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.697 -0.414 -0.057 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.126 -1.408 -1.117 1.00 0.00 C ATOM 0 H ILE A 90 -6.043 -1.255 1.630 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.633 -2.885 1.172 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.752 -0.121 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.093 -1.413 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.483 -2.781 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.756 0.263 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.307 0.124 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.032 -1.244 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.512 -1.946 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.663 -1.726 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.267 -0.337 -1.264 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.212 -2.177 3.062 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.280 -1.695 4.119 1.00 0.00 C ATOM 1429 C ILE A 91 0.023 -1.203 3.488 1.00 0.00 C ATOM 1430 O ILE A 91 0.514 -1.769 2.529 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.021 -2.910 5.007 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.311 -3.288 5.740 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.065 -2.572 6.027 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.171 -4.692 6.331 1.00 0.00 C ATOM 0 H ILE A 91 -2.106 -3.158 2.802 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.694 -0.861 4.685 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.693 -3.748 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.516 -2.568 6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.156 -3.254 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.251 -3.439 6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.983 -2.301 5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.263 -1.735 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.090 -4.960 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.986 -5.407 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.337 -4.710 7.032 1.00 0.00 H new ATOM 1446 N ILE A 92 0.583 -0.150 4.015 1.00 0.00 N ATOM 1447 CA ILE A 92 1.851 0.387 3.444 1.00 0.00 C ATOM 1448 C ILE A 92 2.858 0.657 4.567 1.00 0.00 C ATOM 1449 O ILE A 92 2.499 1.120 5.626 1.00 0.00 O ATOM 1450 CB ILE A 92 1.430 1.696 2.762 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.054 1.411 1.309 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.575 2.714 2.798 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.381 2.648 0.714 1.00 0.00 C ATOM 0 H ILE A 92 0.217 0.363 4.817 1.00 0.00 H new ATOM 0 HA ILE A 92 2.333 -0.303 2.751 1.00 0.00 H new ATOM 0 HB ILE A 92 0.574 2.110 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.944 1.154 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.381 0.555 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.258 3.636 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.842 2.925 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.441 2.306 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.110 2.451 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.517 2.884 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.069 3.492 0.755 1.00 0.00 H new ATOM 1465 N GLY A 93 4.113 0.382 4.347 1.00 0.00 N ATOM 1466 CA GLY A 93 5.109 0.646 5.415 1.00 0.00 C ATOM 1467 C GLY A 93 5.083 -0.499 6.420 1.00 0.00 C ATOM 1468 O GLY A 93 4.681 -1.603 6.113 1.00 0.00 O ATOM 0 H GLY A 93 4.487 -0.010 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.105 0.744 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.884 1.589 5.914 1.00 0.00 H new ATOM 1472 N VAL A 94 5.514 -0.251 7.620 1.00 0.00 N ATOM 1473 CA VAL A 94 5.519 -1.340 8.638 1.00 0.00 C ATOM 1474 C VAL A 94 4.868 -0.859 9.933 1.00 0.00 C ATOM 1475 O VAL A 94 4.812 0.319 10.196 1.00 0.00 O ATOM 1476 CB VAL A 94 6.999 -1.670 8.851 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.416 -2.722 7.823 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.850 -0.408 8.655 1.00 0.00 C ATOM 0 H VAL A 94 5.862 0.652 7.943 1.00 0.00 H new ATOM 0 HA VAL A 94 4.953 -2.215 8.317 1.00 0.00 H new ATOM 0 HB VAL A 94 7.149 -2.047 9.863 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.469 -2.968 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.813 -3.620 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.264 -2.329 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.902 -0.651 8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.709 -0.028 7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.545 0.352 9.374 1.00 0.00 H new ATOM 1488 N GLU A 95 4.370 -1.772 10.734 1.00 0.00 N ATOM 1489 CA GLU A 95 3.706 -1.389 12.022 1.00 0.00 C ATOM 1490 C GLU A 95 4.318 -0.105 12.590 1.00 0.00 C ATOM 1491 O GLU A 95 3.623 0.863 12.827 1.00 0.00 O ATOM 1492 CB GLU A 95 3.966 -2.566 12.964 1.00 0.00 C ATOM 1493 CG GLU A 95 2.710 -3.435 13.054 1.00 0.00 C ATOM 1494 CD GLU A 95 3.091 -4.835 13.541 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.266 -4.997 14.736 1.00 0.00 O ATOM 1496 OE2 GLU A 95 3.201 -5.720 12.708 1.00 0.00 O ATOM 0 H GLU A 95 4.395 -2.775 10.549 1.00 0.00 H new ATOM 0 HA GLU A 95 2.642 -1.193 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.806 -3.158 12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.240 -2.200 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.991 -2.984 13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.227 -3.497 12.079 1.00 0.00 H new ATOM 1503 N PRO A 96 5.608 -0.140 12.774 1.00 0.00 N ATOM 1504 CA PRO A 96 6.334 1.035 13.300 1.00 0.00 C ATOM 1505 C PRO A 96 5.796 2.328 12.676 1.00 0.00 C ATOM 1506 O PRO A 96 5.702 3.351 13.324 1.00 0.00 O ATOM 1507 CB PRO A 96 7.771 0.771 12.867 1.00 0.00 C ATOM 1508 CG PRO A 96 7.887 -0.719 12.766 1.00 0.00 C ATOM 1509 CD PRO A 96 6.505 -1.271 12.514 1.00 0.00 C ATOM 0 HA PRO A 96 6.230 1.164 14.377 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.987 1.248 11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.480 1.172 13.591 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.563 -0.996 11.957 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.303 -1.133 13.684 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.402 -1.633 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.286 -2.111 13.173 1.00 0.00 H new ATOM 1517 N GLY A 97 5.443 2.284 11.424 1.00 0.00 N ATOM 1518 CA GLY A 97 4.910 3.501 10.747 1.00 0.00 C ATOM 1519 C GLY A 97 4.233 3.083 9.441 1.00 0.00 C ATOM 1520 O GLY A 97 4.495 3.626 8.386 1.00 0.00 O ATOM 0 H GLY A 97 5.500 1.453 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.197 4.011 11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.718 4.205 10.545 1.00 0.00 H new ATOM 1524 N GLN A 98 3.385 2.101 9.500 1.00 0.00 N ATOM 1525 CA GLN A 98 2.711 1.619 8.260 1.00 0.00 C ATOM 1526 C GLN A 98 1.350 2.306 8.068 1.00 0.00 C ATOM 1527 O GLN A 98 0.699 2.702 9.014 1.00 0.00 O ATOM 1528 CB GLN A 98 2.569 0.100 8.488 1.00 0.00 C ATOM 1529 CG GLN A 98 1.197 -0.417 8.032 1.00 0.00 C ATOM 1530 CD GLN A 98 0.992 -1.836 8.565 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.127 -2.278 8.734 1.00 0.00 O ATOM 1532 NE2 GLN A 98 2.034 -2.574 8.839 1.00 0.00 N ATOM 0 H GLN A 98 3.126 1.607 10.354 1.00 0.00 H new ATOM 0 HA GLN A 98 3.270 1.847 7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.355 -0.425 7.944 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.709 -0.124 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.408 0.239 8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.136 -0.412 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.973 -2.203 8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.908 -3.522 9.195 1.00 0.00 H new ATOM 1541 N LEU A 99 0.920 2.438 6.839 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.394 3.083 6.562 1.00 0.00 C ATOM 1543 C LEU A 99 -1.457 2.016 6.294 1.00 0.00 C ATOM 1544 O LEU A 99 -1.181 0.831 6.310 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.166 3.918 5.304 1.00 0.00 C ATOM 1546 CG LEU A 99 0.331 5.308 5.691 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.757 6.055 4.429 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.795 6.078 6.383 1.00 0.00 C ATOM 0 H LEU A 99 1.428 2.124 6.012 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.741 3.685 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.562 3.428 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.093 3.998 4.736 1.00 0.00 H new ATOM 0 HG LEU A 99 1.179 5.220 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.113 7.049 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.556 5.505 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.094 6.145 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.440 7.071 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.643 6.172 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.106 5.541 7.279 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.668 2.429 6.040 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.755 1.443 5.766 1.00 0.00 C ATOM 1562 C LYS A 100 -4.831 2.071 4.877 1.00 0.00 C ATOM 1563 O LYS A 100 -5.244 3.194 5.085 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.328 1.096 7.136 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.115 -0.392 7.418 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.838 -0.595 8.908 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.991 -0.007 9.726 1.00 0.00 C ATOM 1568 NZ LYS A 100 -4.391 0.331 11.046 1.00 0.00 N ATOM 0 H LYS A 100 -2.954 3.408 6.010 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.388 0.561 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.844 1.696 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.391 1.334 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.997 -0.959 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.280 -0.769 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.727 -1.657 9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.900 -0.113 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.407 0.877 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.805 -0.724 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.120 0.740 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.009 -0.531 11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.624 1.020 10.912 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.288 1.355 3.886 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.338 1.913 2.984 1.00 0.00 C ATOM 1584 C LEU A 101 -7.360 0.829 2.628 1.00 0.00 C ATOM 1585 O LEU A 101 -7.035 -0.164 2.007 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.586 2.370 1.735 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.601 3.479 2.108 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.239 2.864 2.434 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.455 4.446 0.932 1.00 0.00 C ATOM 0 H LEU A 101 -4.981 0.409 3.661 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.890 2.730 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.052 1.529 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.290 2.732 0.986 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.973 4.018 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.537 3.654 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.342 2.174 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.866 2.325 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.753 5.237 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.082 3.906 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.425 4.885 0.699 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.592 1.011 3.017 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.632 -0.009 2.700 1.00 0.00 C ATOM 1603 C ASN A 102 -10.254 0.274 1.330 1.00 0.00 C ATOM 1604 O ASN A 102 -10.822 1.323 1.101 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.678 0.137 3.805 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.178 1.582 3.847 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.621 2.410 4.538 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.214 1.921 3.130 1.00 0.00 N ATOM 0 H ASN A 102 -8.924 1.821 3.540 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.221 -1.018 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.511 -0.542 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.246 -0.138 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.556 2.882 3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.682 1.225 2.549 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.151 -0.653 0.417 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.737 -0.435 -0.937 1.00 0.00 C ATOM 1617 C TRP A 103 -11.833 -1.468 -1.212 1.00 0.00 C ATOM 1618 O TRP A 103 -11.609 -2.659 -1.137 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.571 -0.619 -1.908 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.938 -0.049 -3.241 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.253 -0.777 -4.337 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.033 1.350 -3.638 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.536 0.086 -5.381 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.414 1.408 -5.000 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.828 2.563 -2.955 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.585 2.625 -5.661 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -9.998 3.789 -3.618 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.376 3.821 -4.968 1.00 0.00 C ATOM 0 H TRP A 103 -9.687 -1.552 0.550 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.197 0.549 -1.034 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.680 -0.124 -1.521 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.330 -1.677 -2.007 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.279 -1.855 -4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.802 -0.217 -6.318 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.538 2.551 -1.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.877 2.643 -6.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.836 4.714 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.505 4.768 -5.471 1.00 0.00 H new