USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 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 75 ASN : amide:sc= -1.81! K(o=-0.54!,f=-3) USER MOD Set 1.2: A 90 SER OG : rot 72:sc= 1.27 USER MOD Set 2.1: A 40 TYR OH : rot 127:sc= 1.15 USER MOD Set 2.2: A 50 GLN : amide:sc= -3.61! C(o=-2.5!,f=-9!) USER MOD Set 3.1: A 21 SER OG : rot 100:sc= 0.429 USER MOD Set 3.2: A 62 ASN : amide:sc= -3.2! C(o=-2.8!,f=-7.5!) USER MOD Single : A 20 SER OG : rot -28:sc= 0.271 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -68:sc= 0.0456 USER MOD Single : A 34 SER OG : rot -140:sc= -0.388 USER MOD Single : A 43 SER OG : rot 109:sc= -1.86 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -3.01! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.04! K(o=-2!,f=-0.13) USER MOD Single : A 80 SER OG : rot 72:sc= -3.03! USER MOD Single : A 85 GLN : amide:sc= -8.99! K(o=-9!,f=-2.1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -160:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -5.26! K(o=-5.3!,f=-1.8) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -146:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.753 -8.030 0.631 1.00 0.00 N ATOM 264 CA SER A 20 8.507 -8.677 0.248 1.00 0.00 C ATOM 265 C SER A 20 7.428 -7.631 -0.014 1.00 0.00 C ATOM 266 O SER A 20 6.257 -7.833 0.306 1.00 0.00 O ATOM 267 CB SER A 20 8.054 -9.620 1.353 1.00 0.00 C ATOM 268 OG SER A 20 8.644 -9.226 2.585 1.00 0.00 O ATOM 0 HA SER A 20 8.673 -9.248 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.967 -9.604 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.340 -10.644 1.112 1.00 0.00 H new ATOM 0 HG SER A 20 9.495 -8.772 2.410 1.00 0.00 H new ATOM 274 N SER A 21 7.838 -6.504 -0.584 1.00 0.00 N ATOM 275 CA SER A 21 6.907 -5.419 -0.870 1.00 0.00 C ATOM 276 C SER A 21 5.829 -5.856 -1.854 1.00 0.00 C ATOM 277 O SER A 21 6.002 -6.822 -2.599 1.00 0.00 O ATOM 278 CB SER A 21 7.660 -4.237 -1.475 1.00 0.00 C ATOM 279 OG SER A 21 7.358 -4.166 -2.857 1.00 0.00 O ATOM 0 H SER A 21 8.803 -6.318 -0.856 1.00 0.00 H new ATOM 0 HA SER A 21 6.435 -5.134 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.372 -3.311 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.733 -4.358 -1.328 1.00 0.00 H new ATOM 0 HG SER A 21 6.678 -3.477 -3.008 1.00 0.00 H new ATOM 285 N PHE A 22 4.725 -5.114 -1.862 1.00 0.00 N ATOM 286 CA PHE A 22 3.618 -5.398 -2.768 1.00 0.00 C ATOM 287 C PHE A 22 3.234 -4.155 -3.559 1.00 0.00 C ATOM 288 O PHE A 22 3.353 -3.037 -3.074 1.00 0.00 O ATOM 289 CB PHE A 22 2.347 -5.799 -2.008 1.00 0.00 C ATOM 290 CG PHE A 22 2.460 -7.097 -1.243 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.413 -8.079 -1.560 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.545 -7.322 -0.211 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.438 -9.279 -0.839 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.578 -8.515 0.509 1.00 0.00 C ATOM 295 CZ PHE A 22 2.520 -9.494 0.195 1.00 0.00 C ATOM 0 H PHE A 22 4.574 -4.311 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 22 3.965 -6.206 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.089 -5.002 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.524 -5.881 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.123 -7.909 -2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.809 -6.569 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.166 -10.039 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.874 -8.681 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.541 -10.420 0.751 1.00 0.00 H new ATOM 305 N VAL A 23 2.700 -4.372 -4.750 1.00 0.00 N ATOM 306 CA VAL A 23 2.216 -3.268 -5.566 1.00 0.00 C ATOM 307 C VAL A 23 0.778 -3.562 -5.964 1.00 0.00 C ATOM 308 O VAL A 23 0.520 -4.429 -6.798 1.00 0.00 O ATOM 309 CB VAL A 23 3.071 -3.075 -6.819 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.336 -2.149 -7.792 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.410 -2.442 -6.436 1.00 0.00 C ATOM 0 H VAL A 23 2.591 -5.294 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 23 2.276 -2.347 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 23 3.249 -4.042 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.941 -2.008 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.380 -2.595 -8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.163 -1.184 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.017 -2.306 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.234 -1.474 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.934 -3.094 -5.738 1.00 0.00 H new ATOM 321 N VAL A 24 -0.157 -2.851 -5.350 1.00 0.00 N ATOM 322 CA VAL A 24 -1.566 -3.064 -5.641 1.00 0.00 C ATOM 323 C VAL A 24 -2.180 -1.836 -6.280 1.00 0.00 C ATOM 324 O VAL A 24 -1.824 -0.703 -5.953 1.00 0.00 O ATOM 325 CB VAL A 24 -2.338 -3.392 -4.363 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.826 -3.532 -4.698 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.823 -4.707 -3.776 1.00 0.00 C ATOM 0 H VAL A 24 0.032 -2.129 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.632 -3.903 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.197 -2.593 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.383 -3.766 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.194 -2.596 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.962 -4.334 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.374 -4.939 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.965 -5.509 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.762 -4.611 -3.544 1.00 0.00 H new ATOM 337 N SER A 25 -3.115 -2.070 -7.183 1.00 0.00 N ATOM 338 CA SER A 25 -3.791 -0.982 -7.852 1.00 0.00 C ATOM 339 C SER A 25 -5.291 -1.209 -7.810 1.00 0.00 C ATOM 340 O SER A 25 -5.753 -2.346 -7.713 1.00 0.00 O ATOM 341 CB SER A 25 -3.317 -0.875 -9.300 1.00 0.00 C ATOM 342 OG SER A 25 -3.776 -2.004 -10.031 1.00 0.00 O ATOM 0 H SER A 25 -3.420 -3.001 -7.467 1.00 0.00 H new ATOM 0 HA SER A 25 -3.555 -0.049 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.695 0.042 -9.751 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.229 -0.823 -9.335 1.00 0.00 H new ATOM 0 HG SER A 25 -3.474 -1.936 -10.961 1.00 0.00 H new ATOM 348 N TRP A 26 -6.048 -0.129 -7.875 1.00 0.00 N ATOM 349 CA TRP A 26 -7.497 -0.234 -7.837 1.00 0.00 C ATOM 350 C TRP A 26 -8.126 0.802 -8.755 1.00 0.00 C ATOM 351 O TRP A 26 -7.443 1.419 -9.573 1.00 0.00 O ATOM 352 CB TRP A 26 -7.991 -0.012 -6.405 1.00 0.00 C ATOM 353 CG TRP A 26 -7.442 1.280 -5.898 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.965 2.500 -6.156 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.275 1.503 -5.062 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.191 3.460 -5.529 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.136 2.894 -4.841 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.331 0.642 -4.478 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.097 3.411 -4.068 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.284 1.157 -3.699 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.167 2.539 -3.494 1.00 0.00 C ATOM 0 H TRP A 26 -5.689 0.823 -7.954 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.786 -1.229 -8.175 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.081 0.006 -6.381 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.672 -0.834 -5.765 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.843 2.693 -6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.377 4.462 -5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.412 -0.424 -4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.011 4.477 -3.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.564 0.485 -3.255 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.359 2.930 -2.893 1.00 0.00 H new ATOM 372 N VAL A 27 -9.426 1.001 -8.604 1.00 0.00 N ATOM 373 CA VAL A 27 -10.132 1.978 -9.411 1.00 0.00 C ATOM 374 C VAL A 27 -10.698 3.053 -8.500 1.00 0.00 C ATOM 375 O VAL A 27 -11.359 2.743 -7.509 1.00 0.00 O ATOM 376 CB VAL A 27 -11.268 1.301 -10.185 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.895 2.303 -11.155 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.715 0.112 -10.977 1.00 0.00 C ATOM 0 H VAL A 27 -10.009 0.501 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.442 2.426 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.023 0.951 -9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.703 1.820 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.292 3.151 -10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.138 2.653 -11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.525 -0.368 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.958 0.463 -11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.268 -0.606 -10.290 1.00 0.00 H new ATOM 388 N SER A 28 -10.441 4.313 -8.820 1.00 0.00 N ATOM 389 CA SER A 28 -10.950 5.389 -7.987 1.00 0.00 C ATOM 390 C SER A 28 -12.440 5.178 -7.757 1.00 0.00 C ATOM 391 O SER A 28 -12.964 5.473 -6.684 1.00 0.00 O ATOM 392 CB SER A 28 -10.705 6.740 -8.653 1.00 0.00 C ATOM 393 OG SER A 28 -9.309 6.929 -8.844 1.00 0.00 O ATOM 0 H SER A 28 -9.897 4.610 -9.630 1.00 0.00 H new ATOM 0 HA SER A 28 -10.429 5.382 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.223 6.784 -9.611 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.110 7.541 -8.034 1.00 0.00 H new ATOM 0 HG SER A 28 -8.871 7.036 -7.974 1.00 0.00 H new ATOM 446 N VAL A 33 -13.916 11.514 -4.322 1.00 0.00 N ATOM 447 CA VAL A 33 -12.826 11.112 -3.451 1.00 0.00 C ATOM 448 C VAL A 33 -11.797 12.232 -3.343 1.00 0.00 C ATOM 449 O VAL A 33 -11.354 12.775 -4.355 1.00 0.00 O ATOM 450 CB VAL A 33 -12.142 9.858 -4.003 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.738 10.077 -5.463 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.895 9.558 -3.172 1.00 0.00 C ATOM 0 HA VAL A 33 -13.237 10.898 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.836 9.019 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.253 9.179 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.626 10.291 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.047 10.918 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.404 8.666 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.209 10.403 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.181 9.391 -2.134 1.00 0.00 H new ATOM 462 N SER A 34 -11.419 12.567 -2.115 1.00 0.00 N ATOM 463 CA SER A 34 -10.429 13.616 -1.890 1.00 0.00 C ATOM 464 C SER A 34 -9.047 12.994 -1.732 1.00 0.00 C ATOM 465 O SER A 34 -8.029 13.684 -1.770 1.00 0.00 O ATOM 466 CB SER A 34 -10.776 14.407 -0.631 1.00 0.00 C ATOM 467 OG SER A 34 -11.916 15.214 -0.883 1.00 0.00 O ATOM 0 H SER A 34 -11.779 12.132 -1.265 1.00 0.00 H new ATOM 0 HA SER A 34 -10.431 14.290 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.974 13.726 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.933 15.031 -0.336 1.00 0.00 H new ATOM 0 HG SER A 34 -11.798 16.089 -0.458 1.00 0.00 H new ATOM 473 N GLY A 35 -9.030 11.679 -1.555 1.00 0.00 N ATOM 474 CA GLY A 35 -7.787 10.944 -1.392 1.00 0.00 C ATOM 475 C GLY A 35 -8.087 9.472 -1.139 1.00 0.00 C ATOM 476 O GLY A 35 -9.248 9.069 -1.097 1.00 0.00 O ATOM 0 H GLY A 35 -9.869 11.099 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.171 11.051 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.216 11.357 -0.560 1.00 0.00 H new ATOM 480 N PHE A 36 -7.042 8.677 -0.968 1.00 0.00 N ATOM 481 CA PHE A 36 -7.214 7.251 -0.711 1.00 0.00 C ATOM 482 C PHE A 36 -6.435 6.837 0.528 1.00 0.00 C ATOM 483 O PHE A 36 -5.400 7.422 0.845 1.00 0.00 O ATOM 484 CB PHE A 36 -6.713 6.431 -1.904 1.00 0.00 C ATOM 485 CG PHE A 36 -7.592 6.673 -3.107 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.789 5.961 -3.265 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.201 7.605 -4.072 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.593 6.183 -4.391 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.003 7.829 -5.196 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.199 7.119 -5.357 1.00 0.00 C ATOM 0 H PHE A 36 -6.072 8.990 -1.002 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.276 7.063 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.683 6.704 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.713 5.371 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.092 5.241 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.278 8.153 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.515 5.634 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.699 8.550 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.818 7.292 -6.225 1.00 0.00 H new ATOM 500 N ARG A 37 -6.918 5.806 1.207 1.00 0.00 N ATOM 501 CA ARG A 37 -6.229 5.306 2.387 1.00 0.00 C ATOM 502 C ARG A 37 -6.046 3.803 2.261 1.00 0.00 C ATOM 503 O ARG A 37 -7.015 3.062 2.100 1.00 0.00 O ATOM 504 CB ARG A 37 -7.012 5.622 3.666 1.00 0.00 C ATOM 505 CG ARG A 37 -6.108 5.357 4.876 1.00 0.00 C ATOM 506 CD ARG A 37 -6.808 5.799 6.165 1.00 0.00 C ATOM 507 NE ARG A 37 -7.837 4.841 6.544 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.187 4.682 7.816 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.582 5.367 8.749 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.131 3.838 8.133 1.00 0.00 N ATOM 0 H ARG A 37 -7.773 5.305 0.965 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.259 5.799 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.340 6.661 3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.909 5.005 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.864 4.296 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.167 5.895 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.077 5.893 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.254 6.783 6.024 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.296 4.284 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.842 6.023 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.850 5.246 9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.600 3.300 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.399 3.716 9.109 1.00 0.00 H new ATOM 524 N VAL A 38 -4.801 3.358 2.333 1.00 0.00 N ATOM 525 CA VAL A 38 -4.513 1.930 2.223 1.00 0.00 C ATOM 526 C VAL A 38 -4.097 1.364 3.572 1.00 0.00 C ATOM 527 O VAL A 38 -3.276 1.953 4.278 1.00 0.00 O ATOM 528 CB VAL A 38 -3.413 1.681 1.187 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.033 0.198 1.185 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.927 2.071 -0.204 1.00 0.00 C ATOM 0 H VAL A 38 -3.982 3.952 2.465 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.421 1.424 1.896 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.538 2.280 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.250 0.024 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.670 -0.086 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.908 -0.401 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.146 1.895 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.802 1.470 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.199 3.126 -0.209 1.00 0.00 H new ATOM 540 N GLU A 39 -4.669 0.222 3.928 1.00 0.00 N ATOM 541 CA GLU A 39 -4.348 -0.405 5.199 1.00 0.00 C ATOM 542 C GLU A 39 -3.869 -1.834 4.984 1.00 0.00 C ATOM 543 O GLU A 39 -4.454 -2.581 4.199 1.00 0.00 O ATOM 544 CB GLU A 39 -5.585 -0.432 6.097 1.00 0.00 C ATOM 545 CG GLU A 39 -5.184 -0.905 7.495 1.00 0.00 C ATOM 546 CD GLU A 39 -6.430 -1.223 8.316 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.491 -1.334 7.725 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.301 -1.361 9.521 1.00 0.00 O ATOM 0 H GLU A 39 -5.350 -0.283 3.361 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.557 0.176 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.031 0.561 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.339 -1.098 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.552 -1.790 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.597 -0.134 7.994 1.00 0.00 H new ATOM 555 N TYR A 40 -2.817 -2.221 5.697 1.00 0.00 N ATOM 556 CA TYR A 40 -2.305 -3.577 5.578 1.00 0.00 C ATOM 557 C TYR A 40 -1.853 -4.108 6.930 1.00 0.00 C ATOM 558 O TYR A 40 -1.112 -3.449 7.657 1.00 0.00 O ATOM 559 CB TYR A 40 -1.160 -3.647 4.563 1.00 0.00 C ATOM 560 CG TYR A 40 -0.065 -2.680 4.935 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.214 -1.319 4.649 1.00 0.00 C ATOM 562 CD2 TYR A 40 1.105 -3.145 5.548 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.804 -0.419 4.979 1.00 0.00 C ATOM 564 CE2 TYR A 40 2.125 -2.246 5.876 1.00 0.00 C ATOM 565 CZ TYR A 40 1.975 -0.882 5.591 1.00 0.00 C ATOM 566 OH TYR A 40 2.981 0.004 5.913 1.00 0.00 O ATOM 0 H TYR A 40 -2.311 -1.625 6.352 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.117 -4.208 5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.761 -4.661 4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.535 -3.415 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.116 -0.963 4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.220 -4.196 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.687 0.632 4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.028 -2.603 6.349 1.00 0.00 H new ATOM 0 HH TYR A 40 3.218 -0.100 6.858 1.00 0.00 H new ATOM 576 N GLU A 41 -2.312 -5.312 7.255 1.00 0.00 N ATOM 577 CA GLU A 41 -1.968 -5.953 8.515 1.00 0.00 C ATOM 578 C GLU A 41 -1.798 -7.451 8.289 1.00 0.00 C ATOM 579 O GLU A 41 -2.211 -7.977 7.256 1.00 0.00 O ATOM 580 CB GLU A 41 -3.076 -5.710 9.541 1.00 0.00 C ATOM 581 CG GLU A 41 -4.261 -6.630 9.245 1.00 0.00 C ATOM 582 CD GLU A 41 -5.427 -6.287 10.166 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.442 -5.184 10.686 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.293 -7.131 10.332 1.00 0.00 O ATOM 0 H GLU A 41 -2.927 -5.865 6.658 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.036 -5.532 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.701 -5.896 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.394 -4.668 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.565 -6.522 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.969 -7.671 9.386 1.00 0.00 H new ATOM 591 N LEU A 42 -1.180 -8.132 9.242 1.00 0.00 N ATOM 592 CA LEU A 42 -0.962 -9.571 9.104 1.00 0.00 C ATOM 593 C LEU A 42 -2.248 -10.358 9.350 1.00 0.00 C ATOM 594 O LEU A 42 -2.875 -10.241 10.403 1.00 0.00 O ATOM 595 CB LEU A 42 0.130 -10.025 10.077 1.00 0.00 C ATOM 596 CG LEU A 42 1.447 -9.357 9.695 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.560 -9.814 10.640 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.807 -9.750 8.260 1.00 0.00 C ATOM 0 H LEU A 42 -0.824 -7.724 10.107 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.643 -9.769 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.143 -9.761 11.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.235 -11.109 10.045 1.00 0.00 H new ATOM 0 HG LEU A 42 1.339 -8.275 9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.496 -9.332 10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.303 -9.540 11.663 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.674 -10.896 10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.748 -9.277 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.912 -10.833 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.018 -9.420 7.584 1.00 0.00 H new ATOM 610 N SER A 43 -2.627 -11.168 8.364 1.00 0.00 N ATOM 611 CA SER A 43 -3.832 -11.984 8.469 1.00 0.00 C ATOM 612 C SER A 43 -3.669 -13.035 9.560 1.00 0.00 C ATOM 613 O SER A 43 -4.648 -13.511 10.134 1.00 0.00 O ATOM 614 CB SER A 43 -4.095 -12.695 7.142 1.00 0.00 C ATOM 615 OG SER A 43 -3.247 -13.830 7.048 1.00 0.00 O ATOM 0 H SER A 43 -2.118 -11.276 7.486 1.00 0.00 H new ATOM 0 HA SER A 43 -4.668 -11.329 8.715 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.140 -13.000 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.910 -12.017 6.309 1.00 0.00 H new ATOM 0 HG SER A 43 -3.781 -14.646 7.142 1.00 0.00 H new ATOM 621 N GLU A 44 -2.421 -13.402 9.823 1.00 0.00 N ATOM 622 CA GLU A 44 -2.113 -14.411 10.829 1.00 0.00 C ATOM 623 C GLU A 44 -1.963 -13.764 12.196 1.00 0.00 C ATOM 624 O GLU A 44 -2.838 -13.879 13.052 1.00 0.00 O ATOM 625 CB GLU A 44 -0.817 -15.120 10.437 1.00 0.00 C ATOM 626 CG GLU A 44 -0.994 -15.723 9.040 1.00 0.00 C ATOM 627 CD GLU A 44 0.301 -16.381 8.575 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.328 -16.123 9.181 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.247 -17.125 7.610 1.00 0.00 O ATOM 0 H GLU A 44 -1.603 -13.015 9.352 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.927 -15.135 10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.016 -14.417 10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.580 -15.901 11.159 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.798 -16.459 9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.287 -14.944 8.336 1.00 0.00 H new ATOM 685 N PRO A 49 -1.568 -2.560 12.411 1.00 0.00 N ATOM 686 CA PRO A 49 -2.161 -2.015 11.163 1.00 0.00 C ATOM 687 C PRO A 49 -1.526 -0.681 10.789 1.00 0.00 C ATOM 688 O PRO A 49 -1.304 0.171 11.650 1.00 0.00 O ATOM 689 CB PRO A 49 -3.641 -1.838 11.502 1.00 0.00 C ATOM 690 CG PRO A 49 -3.699 -1.710 12.989 1.00 0.00 C ATOM 691 CD PRO A 49 -2.501 -2.484 13.544 1.00 0.00 C ATOM 0 HA PRO A 49 -2.001 -2.670 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.051 -0.953 11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.227 -2.691 11.159 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.656 -0.663 13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.634 -2.115 13.376 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.054 -1.970 14.395 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.792 -3.476 13.888 1.00 0.00 H new ATOM 699 N GLN A 50 -1.235 -0.503 9.509 1.00 0.00 N ATOM 700 CA GLN A 50 -0.626 0.737 9.044 1.00 0.00 C ATOM 701 C GLN A 50 -1.524 1.399 8.010 1.00 0.00 C ATOM 702 O GLN A 50 -2.263 0.719 7.305 1.00 0.00 O ATOM 703 CB GLN A 50 0.743 0.441 8.433 1.00 0.00 C ATOM 704 CG GLN A 50 1.588 -0.336 9.445 1.00 0.00 C ATOM 705 CD GLN A 50 2.312 -1.482 8.750 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.346 -1.272 8.116 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.824 -2.690 8.826 1.00 0.00 N ATOM 0 H GLN A 50 -1.408 -1.194 8.779 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.501 1.414 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.628 -0.138 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.242 1.371 8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.312 0.330 9.915 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.951 -0.726 10.239 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.967 -2.862 9.352 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.300 -3.462 8.360 1.00 0.00 H new ATOM 716 N TYR A 51 -1.466 2.724 7.924 1.00 0.00 N ATOM 717 CA TYR A 51 -2.298 3.436 6.963 1.00 0.00 C ATOM 718 C TYR A 51 -1.450 4.318 6.057 1.00 0.00 C ATOM 719 O TYR A 51 -0.562 5.037 6.519 1.00 0.00 O ATOM 720 CB TYR A 51 -3.313 4.317 7.695 1.00 0.00 C ATOM 721 CG TYR A 51 -3.963 3.535 8.811 1.00 0.00 C ATOM 722 CD1 TYR A 51 -4.964 2.597 8.526 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.565 3.755 10.133 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.568 1.881 9.569 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.166 3.040 11.174 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.167 2.101 10.894 1.00 0.00 C ATOM 727 OH TYR A 51 -5.761 1.399 11.922 1.00 0.00 O ATOM 0 H TYR A 51 -0.864 3.316 8.496 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.817 2.693 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.817 5.200 8.099 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.072 4.670 6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.270 2.426 7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.793 4.478 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.342 1.160 9.352 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.858 3.212 12.195 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.365 1.672 12.776 1.00 0.00 H new ATOM 737 N LEU A 52 -1.758 4.285 4.767 1.00 0.00 N ATOM 738 CA LEU A 52 -1.050 5.106 3.797 1.00 0.00 C ATOM 739 C LEU A 52 -2.047 5.999 3.074 1.00 0.00 C ATOM 740 O LEU A 52 -3.075 5.527 2.591 1.00 0.00 O ATOM 741 CB LEU A 52 -0.316 4.227 2.782 1.00 0.00 C ATOM 742 CG LEU A 52 0.723 3.359 3.494 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.338 2.384 2.489 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.827 4.247 4.077 1.00 0.00 C ATOM 0 H LEU A 52 -2.492 3.699 4.370 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.315 5.718 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.029 3.595 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.172 4.852 2.034 1.00 0.00 H new ATOM 0 HG LEU A 52 0.241 2.806 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.079 1.763 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.556 1.750 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.818 2.944 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.565 3.625 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.310 4.802 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.392 4.947 4.790 1.00 0.00 H new ATOM 756 N ASP A 53 -1.750 7.286 3.007 1.00 0.00 N ATOM 757 CA ASP A 53 -2.653 8.214 2.345 1.00 0.00 C ATOM 758 C ASP A 53 -2.127 8.619 0.977 1.00 0.00 C ATOM 759 O ASP A 53 -0.952 8.951 0.818 1.00 0.00 O ATOM 760 CB ASP A 53 -2.847 9.457 3.202 1.00 0.00 C ATOM 761 CG ASP A 53 -3.415 9.070 4.563 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.179 8.119 4.617 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.074 9.728 5.531 1.00 0.00 O ATOM 0 H ASP A 53 -0.906 7.707 3.395 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.609 7.708 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.895 9.973 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.522 10.152 2.702 1.00 0.00 H new ATOM 768 N LEU A 54 -3.013 8.582 -0.006 1.00 0.00 N ATOM 769 CA LEU A 54 -2.649 8.943 -1.366 1.00 0.00 C ATOM 770 C LEU A 54 -3.652 9.957 -1.903 1.00 0.00 C ATOM 771 O LEU A 54 -4.787 10.016 -1.433 1.00 0.00 O ATOM 772 CB LEU A 54 -2.671 7.691 -2.242 1.00 0.00 C ATOM 773 CG LEU A 54 -2.148 6.489 -1.448 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.408 5.219 -2.250 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.644 6.632 -1.195 1.00 0.00 C ATOM 0 H LEU A 54 -3.988 8.306 0.113 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.650 9.379 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.686 7.496 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.057 7.847 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.661 6.440 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.040 4.356 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.479 5.110 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.891 5.281 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.287 5.771 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.118 6.684 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.456 7.543 -0.626 1.00 0.00 H new ATOM 787 N PRO A 55 -3.269 10.751 -2.866 1.00 0.00 N ATOM 788 CA PRO A 55 -4.179 11.774 -3.440 1.00 0.00 C ATOM 789 C PRO A 55 -5.312 11.146 -4.244 1.00 0.00 C ATOM 790 O PRO A 55 -5.167 10.063 -4.808 1.00 0.00 O ATOM 791 CB PRO A 55 -3.280 12.636 -4.325 1.00 0.00 C ATOM 792 CG PRO A 55 -2.060 11.818 -4.607 1.00 0.00 C ATOM 793 CD PRO A 55 -1.946 10.761 -3.505 1.00 0.00 C ATOM 0 HA PRO A 55 -4.674 12.354 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.789 12.906 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.017 13.567 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.135 11.344 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.172 12.449 -4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.697 9.783 -3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.162 11.015 -2.791 1.00 0.00 H new ATOM 801 N SER A 56 -6.441 11.841 -4.286 1.00 0.00 N ATOM 802 CA SER A 56 -7.605 11.353 -5.022 1.00 0.00 C ATOM 803 C SER A 56 -7.220 10.993 -6.450 1.00 0.00 C ATOM 804 O SER A 56 -7.985 10.343 -7.162 1.00 0.00 O ATOM 805 CB SER A 56 -8.698 12.417 -5.037 1.00 0.00 C ATOM 806 OG SER A 56 -8.108 13.696 -5.227 1.00 0.00 O ATOM 0 H SER A 56 -6.578 12.739 -3.823 1.00 0.00 H new ATOM 0 HA SER A 56 -7.979 10.459 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.411 12.211 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.254 12.396 -4.100 1.00 0.00 H new ATOM 0 HG SER A 56 -8.809 14.381 -5.239 1.00 0.00 H new ATOM 812 N THR A 57 -6.029 11.416 -6.864 1.00 0.00 N ATOM 813 CA THR A 57 -5.556 11.122 -8.211 1.00 0.00 C ATOM 814 C THR A 57 -4.726 9.844 -8.220 1.00 0.00 C ATOM 815 O THR A 57 -4.344 9.349 -9.279 1.00 0.00 O ATOM 816 CB THR A 57 -4.711 12.282 -8.740 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.590 12.476 -7.890 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.554 13.557 -8.782 1.00 0.00 C ATOM 0 H THR A 57 -5.381 11.958 -6.292 1.00 0.00 H new ATOM 0 HA THR A 57 -6.425 10.985 -8.855 1.00 0.00 H new ATOM 0 HB THR A 57 -4.366 12.049 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.047 13.218 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.949 14.381 -9.159 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.410 13.405 -9.439 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.905 13.795 -7.778 1.00 0.00 H new ATOM 826 N ALA A 58 -4.451 9.309 -7.035 1.00 0.00 N ATOM 827 CA ALA A 58 -3.668 8.083 -6.932 1.00 0.00 C ATOM 828 C ALA A 58 -4.548 6.868 -7.200 1.00 0.00 C ATOM 829 O ALA A 58 -5.676 6.787 -6.712 1.00 0.00 O ATOM 830 CB ALA A 58 -3.046 7.972 -5.537 1.00 0.00 C ATOM 0 H ALA A 58 -4.754 9.699 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.873 8.116 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.463 7.053 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.395 8.828 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.836 7.956 -4.786 1.00 0.00 H new ATOM 836 N THR A 59 -4.028 5.923 -7.976 1.00 0.00 N ATOM 837 CA THR A 59 -4.782 4.717 -8.295 1.00 0.00 C ATOM 838 C THR A 59 -3.952 3.466 -8.030 1.00 0.00 C ATOM 839 O THR A 59 -4.358 2.360 -8.385 1.00 0.00 O ATOM 840 CB THR A 59 -5.227 4.745 -9.760 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.184 5.282 -10.561 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.483 5.608 -9.899 1.00 0.00 C ATOM 0 H THR A 59 -3.098 5.968 -8.392 1.00 0.00 H new ATOM 0 HA THR A 59 -5.661 4.688 -7.652 1.00 0.00 H new ATOM 0 HB THR A 59 -5.451 3.731 -10.091 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.467 5.299 -11.499 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.798 5.627 -10.942 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.282 5.190 -9.286 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.265 6.623 -9.568 1.00 0.00 H new ATOM 850 N SER A 60 -2.791 3.636 -7.399 1.00 0.00 N ATOM 851 CA SER A 60 -1.932 2.497 -7.095 1.00 0.00 C ATOM 852 C SER A 60 -0.877 2.878 -6.061 1.00 0.00 C ATOM 853 O SER A 60 -0.451 4.031 -5.994 1.00 0.00 O ATOM 854 CB SER A 60 -1.242 2.011 -8.368 1.00 0.00 C ATOM 855 OG SER A 60 -0.204 2.920 -8.713 1.00 0.00 O ATOM 0 H SER A 60 -2.429 4.539 -7.093 1.00 0.00 H new ATOM 0 HA SER A 60 -2.553 1.699 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.832 1.013 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.963 1.938 -9.182 1.00 0.00 H new ATOM 0 HG SER A 60 0.243 2.612 -9.529 1.00 0.00 H new ATOM 861 N VAL A 61 -0.462 1.899 -5.254 1.00 0.00 N ATOM 862 CA VAL A 61 0.543 2.149 -4.223 1.00 0.00 C ATOM 863 C VAL A 61 1.355 0.899 -3.904 1.00 0.00 C ATOM 864 O VAL A 61 0.877 -0.227 -4.047 1.00 0.00 O ATOM 865 CB VAL A 61 -0.127 2.630 -2.944 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.872 1.465 -2.293 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.937 3.155 -1.978 1.00 0.00 C ATOM 0 H VAL A 61 -0.802 0.938 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 61 1.216 2.913 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.831 3.428 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.353 1.807 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.629 1.087 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.166 0.668 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.458 3.500 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.640 2.356 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.472 3.984 -2.442 1.00 0.00 H new ATOM 877 N ASN A 62 2.583 1.117 -3.445 1.00 0.00 N ATOM 878 CA ASN A 62 3.459 0.017 -3.075 1.00 0.00 C ATOM 879 C ASN A 62 3.556 -0.082 -1.556 1.00 0.00 C ATOM 880 O ASN A 62 3.833 0.908 -0.884 1.00 0.00 O ATOM 881 CB ASN A 62 4.857 0.223 -3.658 1.00 0.00 C ATOM 882 CG ASN A 62 5.719 -1.004 -3.378 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.380 -2.112 -3.798 1.00 0.00 O ATOM 884 ND2 ASN A 62 6.816 -0.875 -2.682 1.00 0.00 N ATOM 0 H ASN A 62 2.991 2.044 -3.321 1.00 0.00 H new ATOM 0 HA ASN A 62 3.040 -0.905 -3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.791 0.395 -4.732 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.317 1.109 -3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.394 -1.692 -2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.095 0.043 -2.335 1.00 0.00 H new ATOM 891 N ILE A 63 3.321 -1.278 -1.026 1.00 0.00 N ATOM 892 CA ILE A 63 3.385 -1.494 0.415 1.00 0.00 C ATOM 893 C ILE A 63 4.696 -2.178 0.804 1.00 0.00 C ATOM 894 O ILE A 63 4.853 -3.385 0.611 1.00 0.00 O ATOM 895 CB ILE A 63 2.209 -2.361 0.867 1.00 0.00 C ATOM 896 CG1 ILE A 63 0.939 -1.910 0.145 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.019 -2.210 2.375 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.289 -2.381 0.927 1.00 0.00 C ATOM 0 H ILE A 63 3.086 -2.109 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 63 3.335 -0.522 0.906 1.00 0.00 H new ATOM 0 HB ILE A 63 2.411 -3.405 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.928 -0.824 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.918 -2.318 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.181 -2.827 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.925 -2.529 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.815 -1.166 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.194 -2.059 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.280 -3.469 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.269 -1.951 1.929 1.00 0.00 H new ATOM 910 N PRO A 64 5.633 -1.440 1.346 1.00 0.00 N ATOM 911 CA PRO A 64 6.946 -1.980 1.772 1.00 0.00 C ATOM 912 C PRO A 64 6.929 -2.463 3.220 1.00 0.00 C ATOM 913 O PRO A 64 5.889 -2.459 3.878 1.00 0.00 O ATOM 914 CB PRO A 64 7.859 -0.772 1.616 1.00 0.00 C ATOM 915 CG PRO A 64 6.995 0.395 1.963 1.00 0.00 C ATOM 916 CD PRO A 64 5.553 0.001 1.618 1.00 0.00 C ATOM 0 HA PRO A 64 7.254 -2.851 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.722 -0.838 2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.243 -0.693 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.085 0.641 3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.298 1.280 1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.873 0.214 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.186 0.551 0.752 1.00 0.00 H new ATOM 924 N ASP A 65 8.094 -2.868 3.703 1.00 0.00 N ATOM 925 CA ASP A 65 8.232 -3.351 5.074 1.00 0.00 C ATOM 926 C ASP A 65 7.328 -4.553 5.330 1.00 0.00 C ATOM 927 O ASP A 65 6.781 -4.706 6.421 1.00 0.00 O ATOM 928 CB ASP A 65 7.872 -2.234 6.053 1.00 0.00 C ATOM 929 CG ASP A 65 8.885 -1.101 5.940 1.00 0.00 C ATOM 930 OD1 ASP A 65 9.996 -1.369 5.512 1.00 0.00 O ATOM 931 OD2 ASP A 65 8.539 0.014 6.291 1.00 0.00 O ATOM 0 H ASP A 65 8.961 -2.873 3.166 1.00 0.00 H new ATOM 0 HA ASP A 65 9.267 -3.658 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.870 -1.861 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.858 -2.621 7.072 1.00 0.00 H new ATOM 936 N LEU A 66 7.182 -5.408 4.324 1.00 0.00 N ATOM 937 CA LEU A 66 6.351 -6.597 4.463 1.00 0.00 C ATOM 938 C LEU A 66 7.180 -7.764 4.996 1.00 0.00 C ATOM 939 O LEU A 66 8.387 -7.838 4.764 1.00 0.00 O ATOM 940 CB LEU A 66 5.712 -6.954 3.118 1.00 0.00 C ATOM 941 CG LEU A 66 4.918 -5.753 2.586 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.989 -6.211 1.463 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.082 -5.140 3.712 1.00 0.00 C ATOM 0 H LEU A 66 7.624 -5.301 3.411 1.00 0.00 H new ATOM 0 HA LEU A 66 5.555 -6.390 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.483 -7.238 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.053 -7.815 3.235 1.00 0.00 H new ATOM 0 HG LEU A 66 5.615 -5.007 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.426 -5.357 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.580 -6.641 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.298 -6.961 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.521 -4.288 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.388 -5.887 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.740 -4.808 4.515 1.00 0.00 H new ATOM 955 N LEU A 67 6.527 -8.655 5.737 1.00 0.00 N ATOM 956 CA LEU A 67 7.206 -9.798 6.332 1.00 0.00 C ATOM 957 C LEU A 67 7.145 -11.034 5.434 1.00 0.00 C ATOM 958 O LEU A 67 6.079 -11.623 5.259 1.00 0.00 O ATOM 959 CB LEU A 67 6.536 -10.137 7.662 1.00 0.00 C ATOM 960 CG LEU A 67 7.031 -9.178 8.743 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.053 -9.177 9.918 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.408 -9.636 9.226 1.00 0.00 C ATOM 0 H LEU A 67 5.528 -8.606 5.939 1.00 0.00 H new ATOM 0 HA LEU A 67 8.252 -9.526 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.453 -10.064 7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.762 -11.166 7.943 1.00 0.00 H new ATOM 0 HG LEU A 67 7.100 -8.170 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.409 -8.492 10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.070 -8.856 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.981 -10.183 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.768 -8.956 9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.333 -10.643 9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.106 -9.636 8.389 1.00 0.00 H new ATOM 974 N PRO A 68 8.261 -11.461 4.894 1.00 0.00 N ATOM 975 CA PRO A 68 8.305 -12.678 4.040 1.00 0.00 C ATOM 976 C PRO A 68 7.822 -13.899 4.816 1.00 0.00 C ATOM 977 O PRO A 68 8.238 -14.124 5.953 1.00 0.00 O ATOM 978 CB PRO A 68 9.779 -12.840 3.655 1.00 0.00 C ATOM 979 CG PRO A 68 10.454 -11.552 3.996 1.00 0.00 C ATOM 980 CD PRO A 68 9.583 -10.834 5.029 1.00 0.00 C ATOM 0 HA PRO A 68 7.659 -12.586 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.232 -13.670 4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.880 -13.061 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.451 -11.736 4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.578 -10.937 3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.980 -10.957 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.536 -9.763 4.833 1.00 0.00 H new ATOM 988 N GLY A 69 6.942 -14.681 4.206 1.00 0.00 N ATOM 989 CA GLY A 69 6.416 -15.867 4.867 1.00 0.00 C ATOM 990 C GLY A 69 5.205 -15.516 5.726 1.00 0.00 C ATOM 991 O GLY A 69 4.727 -16.337 6.505 1.00 0.00 O ATOM 0 H GLY A 69 6.581 -14.519 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.135 -16.610 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.191 -16.316 5.489 1.00 0.00 H new ATOM 995 N ARG A 70 4.704 -14.293 5.565 1.00 0.00 N ATOM 996 CA ARG A 70 3.534 -13.850 6.318 1.00 0.00 C ATOM 997 C ARG A 70 2.444 -13.389 5.359 1.00 0.00 C ATOM 998 O ARG A 70 2.730 -12.832 4.298 1.00 0.00 O ATOM 999 CB ARG A 70 3.899 -12.698 7.266 1.00 0.00 C ATOM 1000 CG ARG A 70 4.931 -13.155 8.304 1.00 0.00 C ATOM 1001 CD ARG A 70 4.355 -14.297 9.138 1.00 0.00 C ATOM 1002 NE ARG A 70 5.111 -14.458 10.372 1.00 0.00 N ATOM 1003 CZ ARG A 70 4.935 -13.635 11.396 1.00 0.00 C ATOM 1004 NH1 ARG A 70 4.102 -12.635 11.292 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.598 -13.820 12.501 1.00 0.00 N ATOM 0 H ARG A 70 5.086 -13.597 4.925 1.00 0.00 H new ATOM 0 HA ARG A 70 3.171 -14.690 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.299 -11.862 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.003 -12.339 7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.843 -13.482 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.203 -12.321 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.309 -14.095 9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.382 -15.224 8.565 1.00 0.00 H new ATOM 0 HE ARG A 70 5.788 -15.217 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.588 -12.488 10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.966 -12.001 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.253 -14.598 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.463 -13.187 13.289 1.00 0.00 H new ATOM 1019 N LYS A 71 1.194 -13.623 5.740 1.00 0.00 N ATOM 1020 CA LYS A 71 0.066 -13.227 4.911 1.00 0.00 C ATOM 1021 C LYS A 71 -0.489 -11.891 5.389 1.00 0.00 C ATOM 1022 O LYS A 71 -0.696 -11.685 6.585 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.019 -14.305 4.969 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.135 -13.984 3.972 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.247 -15.027 4.113 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.199 -14.949 2.917 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.120 -16.122 2.951 1.00 0.00 N ATOM 0 H LYS A 71 0.938 -14.083 6.614 1.00 0.00 H new ATOM 0 HA LYS A 71 0.399 -13.115 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.587 -15.279 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.428 -14.366 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.530 -12.985 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.743 -13.987 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.814 -16.025 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.799 -14.859 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.770 -14.021 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.633 -14.942 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.771 -16.076 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.565 -17.000 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.667 -16.108 3.835 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.724 -10.989 4.448 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.252 -9.670 4.782 1.00 0.00 C ATOM 1043 C TYR A 72 -2.640 -9.467 4.193 1.00 0.00 C ATOM 1044 O TYR A 72 -2.997 -10.069 3.181 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.360 -8.567 4.209 1.00 0.00 C ATOM 1046 CG TYR A 72 0.952 -8.467 4.948 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.895 -9.498 4.862 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.234 -7.321 5.701 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.116 -9.382 5.534 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.457 -7.205 6.368 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.398 -8.236 6.286 1.00 0.00 C ATOM 1052 OH TYR A 72 4.604 -8.118 6.943 1.00 0.00 O ATOM 0 H TYR A 72 -0.560 -11.142 3.453 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.288 -9.616 5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.169 -8.765 3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.882 -7.612 4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.680 -10.381 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.506 -6.526 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.843 -10.178 5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.675 -6.319 6.946 1.00 0.00 H new ATOM 0 HH TYR A 72 4.636 -7.260 7.416 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.391 -8.567 4.810 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.718 -8.217 4.327 1.00 0.00 C ATOM 1064 C ILE A 73 -4.669 -6.780 3.856 1.00 0.00 C ATOM 1065 O ILE A 73 -4.313 -5.886 4.619 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.743 -8.366 5.443 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.646 -9.778 6.010 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.149 -8.130 4.885 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.509 -9.887 7.266 1.00 0.00 C ATOM 0 H ILE A 73 -3.102 -8.064 5.649 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.011 -8.878 3.512 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.546 -7.636 6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.976 -10.503 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.609 -10.015 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.881 -8.237 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.211 -7.125 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.357 -8.860 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.438 -10.897 7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.159 -9.173 8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.547 -9.669 7.014 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.005 -6.561 2.600 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.964 -5.219 2.047 1.00 0.00 C ATOM 1083 C VAL A 74 -6.367 -4.704 1.765 1.00 0.00 C ATOM 1084 O VAL A 74 -7.161 -5.360 1.090 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.149 -5.222 0.753 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.989 -3.786 0.254 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.767 -5.836 1.012 1.00 0.00 C ATOM 0 H VAL A 74 -5.306 -7.285 1.948 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.495 -4.560 2.777 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.667 -5.815 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.408 -3.784 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.972 -3.355 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.472 -3.194 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.190 -5.836 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.244 -5.249 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.884 -6.860 1.366 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.658 -3.519 2.276 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.959 -2.909 2.072 1.00 0.00 C ATOM 1099 C ASN A 75 -7.783 -1.456 1.676 1.00 0.00 C ATOM 1100 O ASN A 75 -7.091 -0.699 2.354 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.776 -3.003 3.355 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.847 -4.455 3.793 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.674 -5.219 3.292 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.014 -4.887 4.697 1.00 0.00 N ATOM 0 H ASN A 75 -6.011 -2.962 2.834 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.485 -3.435 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.319 -2.396 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.779 -2.610 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.044 -5.862 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.332 -4.250 5.108 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.400 -1.070 0.574 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.281 0.301 0.108 1.00 0.00 C ATOM 1113 C VAL A 76 -9.575 1.064 0.344 1.00 0.00 C ATOM 1114 O VAL A 76 -10.652 0.618 -0.056 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.941 0.306 -1.381 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.596 1.727 -1.827 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.742 -0.615 -1.633 1.00 0.00 C ATOM 0 H VAL A 76 -8.980 -1.675 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.485 0.793 0.667 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.801 -0.050 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.354 1.726 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.450 2.381 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.738 2.088 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.498 -0.612 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.884 -0.259 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.990 -1.629 -1.320 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.464 2.224 0.984 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.632 3.052 1.255 1.00 0.00 C ATOM 1129 C TYR A 77 -10.498 4.386 0.537 1.00 0.00 C ATOM 1130 O TYR A 77 -9.422 4.982 0.524 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.770 3.323 2.756 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.791 2.022 3.521 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.997 1.339 3.706 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.603 1.502 4.053 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.019 0.136 4.422 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.625 0.299 4.771 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.833 -0.384 4.953 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.860 -1.569 5.663 1.00 0.00 O ATOM 0 H TYR A 77 -8.582 2.609 1.322 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.513 2.517 0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.941 3.942 3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.686 3.882 2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.912 1.740 3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.671 2.028 3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.951 -0.391 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.711 -0.101 5.184 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.954 -1.792 5.962 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.589 4.871 -0.039 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.542 6.155 -0.723 1.00 0.00 C ATOM 1150 C GLN A 78 -12.133 7.219 0.192 1.00 0.00 C ATOM 1151 O GLN A 78 -13.166 6.998 0.826 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.323 6.102 -2.042 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.793 6.447 -1.792 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.648 6.040 -2.991 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.864 6.227 -2.976 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -14.087 5.490 -4.032 1.00 0.00 N ATOM 0 H GLN A 78 -12.498 4.408 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.506 6.398 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.893 6.803 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.244 5.108 -2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.146 5.936 -0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.896 7.517 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.079 5.335 -4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.656 5.215 -4.833 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.464 8.360 0.281 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.923 9.433 1.150 1.00 0.00 C ATOM 1167 C ILE A 79 -12.675 10.488 0.360 1.00 0.00 C ATOM 1168 O ILE A 79 -12.138 11.080 -0.573 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.720 10.074 1.834 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.927 8.977 2.539 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.198 11.111 2.852 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.647 9.557 3.133 1.00 0.00 C ATOM 0 H ILE A 79 -10.608 8.565 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.600 9.013 1.894 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.090 10.574 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.532 8.528 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.683 8.183 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.336 11.567 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.777 11.881 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.823 10.624 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.088 8.767 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.037 9.984 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.900 10.335 3.853 1.00 0.00 H new ATOM 1184 N SER A 80 -13.920 10.717 0.751 1.00 0.00 N ATOM 1185 CA SER A 80 -14.755 11.701 0.090 1.00 0.00 C ATOM 1186 C SER A 80 -14.516 13.093 0.662 1.00 0.00 C ATOM 1187 O SER A 80 -13.858 13.252 1.690 1.00 0.00 O ATOM 1188 CB SER A 80 -16.218 11.318 0.265 1.00 0.00 C ATOM 1189 OG SER A 80 -16.541 11.352 1.643 1.00 0.00 O ATOM 0 H SER A 80 -14.373 10.231 1.525 1.00 0.00 H new ATOM 0 HA SER A 80 -14.499 11.720 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.856 12.007 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.398 10.322 -0.139 1.00 0.00 H new ATOM 0 HG SER A 80 -16.583 12.283 1.946 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.056 14.096 -0.019 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.903 15.482 0.406 1.00 0.00 C ATOM 1197 C GLU A 81 -15.421 15.696 1.827 1.00 0.00 C ATOM 1198 O GLU A 81 -15.049 16.668 2.486 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.655 16.403 -0.557 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.884 16.498 -1.878 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.624 17.402 -2.860 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.808 17.622 -2.658 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.999 17.853 -3.806 1.00 0.00 O ATOM 0 H GLU A 81 -15.605 13.975 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.839 15.719 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.659 16.018 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.767 17.394 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.883 16.890 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.763 15.504 -2.309 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.280 14.799 2.295 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.830 14.936 3.640 1.00 0.00 C ATOM 1212 C ASP A 82 -16.000 14.152 4.659 1.00 0.00 C ATOM 1213 O ASP A 82 -16.332 14.121 5.844 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.285 14.460 3.665 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.353 12.965 3.388 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.316 12.328 3.440 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.442 12.480 3.124 1.00 0.00 O ATOM 0 H ASP A 82 -16.607 13.984 1.776 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.794 15.990 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.730 14.678 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.866 15.002 2.919 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.914 13.535 4.197 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.041 12.773 5.090 1.00 0.00 C ATOM 1224 C GLY A 83 -14.546 11.350 5.303 1.00 0.00 C ATOM 1225 O GLY A 83 -14.090 10.654 6.210 1.00 0.00 O ATOM 0 H GLY A 83 -14.619 13.546 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.034 12.742 4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.973 13.282 6.052 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.483 10.918 4.471 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.027 9.569 4.597 1.00 0.00 C ATOM 1231 C GLU A 84 -15.162 8.550 3.865 1.00 0.00 C ATOM 1232 O GLU A 84 -14.611 8.834 2.801 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.447 9.519 4.039 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.393 10.268 4.978 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.549 9.497 6.285 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.144 8.347 6.324 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.075 10.067 7.227 1.00 0.00 O ATOM 0 H GLU A 84 -15.879 11.471 3.711 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.038 9.316 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.474 9.967 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.770 8.484 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.004 11.266 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.366 10.395 4.503 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.062 7.355 4.438 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.280 6.289 3.827 1.00 0.00 C ATOM 1246 C GLN A 85 -15.191 5.192 3.290 1.00 0.00 C ATOM 1247 O GLN A 85 -16.179 4.820 3.926 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.312 5.686 4.845 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.153 6.648 5.097 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.121 5.978 5.995 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -11.237 6.024 7.220 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.113 5.351 5.455 1.00 0.00 N ATOM 0 H GLN A 85 -15.510 7.102 5.319 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.715 6.720 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.835 5.481 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.931 4.733 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.694 6.937 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.520 7.561 5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.020 5.315 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.418 4.897 6.048 1.00 0.00 H new ATOM 1261 N SER A 86 -14.841 4.668 2.120 1.00 0.00 N ATOM 1262 CA SER A 86 -15.621 3.600 1.506 1.00 0.00 C ATOM 1263 C SER A 86 -14.690 2.524 0.967 1.00 0.00 C ATOM 1264 O SER A 86 -13.712 2.827 0.284 1.00 0.00 O ATOM 1265 CB SER A 86 -16.472 4.154 0.366 1.00 0.00 C ATOM 1266 OG SER A 86 -17.514 3.234 0.063 1.00 0.00 O ATOM 0 H SER A 86 -14.027 4.963 1.581 1.00 0.00 H new ATOM 0 HA SER A 86 -16.277 3.168 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.894 5.118 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.853 4.323 -0.515 1.00 0.00 H new ATOM 0 HG SER A 86 -18.062 3.589 -0.668 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.996 1.269 1.273 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.172 0.160 0.806 1.00 0.00 C ATOM 1274 C LEU A 87 -14.382 -0.067 -0.686 1.00 0.00 C ATOM 1275 O LEU A 87 -15.485 -0.394 -1.124 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.531 -1.116 1.571 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.607 -2.257 1.136 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.225 -2.062 1.760 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.187 -3.598 1.603 1.00 0.00 C ATOM 0 H LEU A 87 -15.801 0.995 1.837 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.126 0.408 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.436 -0.947 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.570 -1.385 1.382 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.522 -2.255 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.568 -2.875 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.807 -1.111 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.313 -2.061 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.527 -4.408 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.274 -3.598 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.172 -3.742 1.160 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.322 0.111 -1.464 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.418 -0.077 -2.906 1.00 0.00 C ATOM 1293 C ILE A 88 -12.714 -1.355 -3.340 1.00 0.00 C ATOM 1294 O ILE A 88 -13.013 -1.906 -4.398 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.801 1.115 -3.638 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.329 1.251 -3.248 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.548 2.395 -3.261 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.599 2.102 -4.290 1.00 0.00 C ATOM 0 H ILE A 88 -12.398 0.382 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.475 -0.155 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.879 0.955 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.244 1.711 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.868 0.266 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.105 3.242 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.596 2.301 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.475 2.555 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.550 2.198 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.672 1.623 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.054 3.091 -4.336 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.773 -1.827 -2.530 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.052 -3.041 -2.882 1.00 0.00 C ATOM 1312 C LEU A 89 -10.464 -3.726 -1.655 1.00 0.00 C ATOM 1313 O LEU A 89 -9.704 -3.123 -0.897 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.924 -2.709 -3.856 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.345 -4.007 -4.423 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.356 -4.637 -5.380 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -8.050 -3.706 -5.180 1.00 0.00 C ATOM 0 H LEU A 89 -11.497 -1.399 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.765 -3.723 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.299 -2.081 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.145 -2.142 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.134 -4.696 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.946 -5.562 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.279 -4.854 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.565 -3.945 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.640 -4.632 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.258 -3.016 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.327 -3.255 -4.500 1.00 0.00 H new ATOM 1329 N SER A 90 -10.800 -5.000 -1.487 1.00 0.00 N ATOM 1330 CA SER A 90 -10.280 -5.781 -0.374 1.00 0.00 C ATOM 1331 C SER A 90 -9.665 -7.070 -0.906 1.00 0.00 C ATOM 1332 O SER A 90 -10.329 -7.844 -1.596 1.00 0.00 O ATOM 1333 CB SER A 90 -11.396 -6.118 0.614 1.00 0.00 C ATOM 1334 OG SER A 90 -10.857 -6.881 1.683 1.00 0.00 O ATOM 0 H SER A 90 -11.429 -5.512 -2.106 1.00 0.00 H new ATOM 0 HA SER A 90 -9.522 -5.194 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.848 -5.203 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.185 -6.679 0.113 1.00 0.00 H new ATOM 0 HG SER A 90 -10.306 -6.304 2.252 1.00 0.00 H new ATOM 1340 N THR A 91 -8.396 -7.297 -0.589 1.00 0.00 N ATOM 1341 CA THR A 91 -7.716 -8.500 -1.054 1.00 0.00 C ATOM 1342 C THR A 91 -6.563 -8.858 -0.124 1.00 0.00 C ATOM 1343 O THR A 91 -6.037 -8.001 0.578 1.00 0.00 O ATOM 1344 CB THR A 91 -7.192 -8.282 -2.477 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.793 -9.529 -3.030 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.995 -7.331 -2.440 1.00 0.00 C ATOM 0 H THR A 91 -7.823 -6.674 -0.020 1.00 0.00 H new ATOM 0 HA THR A 91 -8.428 -9.325 -1.054 1.00 0.00 H new ATOM 0 HB THR A 91 -7.980 -7.848 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.459 -9.391 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.622 -7.176 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.303 -6.375 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.206 -7.763 -1.825 1.00 0.00 H new ATOM 1354 N SER A 92 -6.171 -10.127 -0.126 1.00 0.00 N ATOM 1355 CA SER A 92 -5.072 -10.572 0.726 1.00 0.00 C ATOM 1356 C SER A 92 -3.912 -11.080 -0.124 1.00 0.00 C ATOM 1357 O SER A 92 -4.105 -11.498 -1.266 1.00 0.00 O ATOM 1358 CB SER A 92 -5.544 -11.688 1.659 1.00 0.00 C ATOM 1359 OG SER A 92 -5.794 -12.863 0.897 1.00 0.00 O ATOM 0 H SER A 92 -6.591 -10.858 -0.700 1.00 0.00 H new ATOM 0 HA SER A 92 -4.735 -9.723 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.788 -11.887 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.449 -11.381 2.183 1.00 0.00 H new ATOM 0 HG SER A 92 -6.380 -13.463 1.404 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.709 -11.051 0.442 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.531 -11.524 -0.276 1.00 0.00 C ATOM 1367 C GLN A 93 -0.600 -12.293 0.646 1.00 0.00 C ATOM 1368 O GLN A 93 -0.650 -12.152 1.868 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.755 -10.357 -0.889 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.599 -9.671 -1.962 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.716 -8.763 -2.817 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.209 -8.105 -3.732 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.570 -8.691 -2.575 1.00 0.00 N ATOM 0 H GLN A 93 -2.525 -10.709 1.385 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.885 -12.183 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.487 -9.640 -0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.177 -10.718 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.082 -10.419 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.392 -9.087 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.977 -9.237 -1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.163 -8.089 -3.146 1.00 0.00 H new ATOM 1382 N THR A 94 0.260 -13.095 0.037 1.00 0.00 N ATOM 1383 CA THR A 94 1.227 -13.882 0.781 1.00 0.00 C ATOM 1384 C THR A 94 2.626 -13.575 0.266 1.00 0.00 C ATOM 1385 O THR A 94 2.960 -13.897 -0.874 1.00 0.00 O ATOM 1386 CB THR A 94 0.923 -15.368 0.608 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.436 -15.526 0.223 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.169 -16.102 1.926 1.00 0.00 C ATOM 0 H THR A 94 0.307 -13.217 -0.975 1.00 0.00 H new ATOM 0 HA THR A 94 1.168 -13.630 1.840 1.00 0.00 H new ATOM 0 HB THR A 94 1.573 -15.785 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.635 -16.479 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.951 -17.162 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.211 -15.979 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.521 -15.689 2.699 1.00 0.00 H new ATOM 1396 N THR A 95 3.434 -12.943 1.104 1.00 0.00 N ATOM 1397 CA THR A 95 4.790 -12.588 0.712 1.00 0.00 C ATOM 1398 C THR A 95 5.590 -13.836 0.358 1.00 0.00 C ATOM 1399 O THR A 95 5.363 -14.860 0.981 1.00 0.00 O ATOM 1400 CB THR A 95 5.483 -11.841 1.851 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.424 -12.627 3.033 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.783 -10.502 2.095 1.00 0.00 C ATOM 1403 OXT THR A 95 6.422 -13.752 -0.534 1.00 0.00 O ATOM 0 H THR A 95 3.178 -12.667 2.052 1.00 0.00 H new ATOM 0 HA THR A 95 4.738 -11.944 -0.166 1.00 0.00 H new ATOM 0 HB THR A 95 6.523 -11.658 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.346 -12.039 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.281 -9.974 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.827 -9.898 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.741 -10.679 2.362 1.00 0.00 H new