USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=25 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= -0.371 K(o=0.85,f=-0.72) USER MOD Set 1.2: A 90 SER OG : rot 65:sc= 1.22 USER MOD Set 2.1: A 21 SER OG : rot 105:sc= 0.00012 USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -2.73! C(o=-3.4!,f=-2.7!) USER MOD Set 3.1: A 40 TYR OH : rot -41:sc= 0.112! USER MOD Set 3.2: A 50 GLN : amide:sc= -5.09! C(o=-5!,f=-13!) USER MOD Single : A 20 SER OG : rot 62:sc= -0.774! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -20:sc= -0.698 USER MOD Single : A 43 SER OG : rot 130:sc= -1.24 USER MOD Single : A 51 TYR OH : rot 30:sc= -0.34 USER MOD Single : A 56 SER OG : rot 180:sc= 0 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= -1.77! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -1.43 F(o=-3.8!,f=-1.4) USER MOD Single : A 80 SER OG : rot 176:sc= -4.14! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.11 F(o=-8.9!,f=-1.1) 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 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.62 F(o=-4.3!,f=-1.6) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -173:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.651 -8.022 0.654 1.00 0.00 N ATOM 264 CA SER A 20 8.353 -8.645 0.425 1.00 0.00 C ATOM 265 C SER A 20 7.301 -7.580 0.132 1.00 0.00 C ATOM 266 O SER A 20 6.137 -7.719 0.509 1.00 0.00 O ATOM 267 CB SER A 20 7.945 -9.449 1.655 1.00 0.00 C ATOM 268 OG SER A 20 8.601 -8.921 2.800 1.00 0.00 O ATOM 0 HA SER A 20 8.427 -9.311 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.864 -9.407 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.209 -10.498 1.522 1.00 0.00 H new ATOM 0 HG SER A 20 8.324 -7.991 2.936 1.00 0.00 H new ATOM 274 N SER A 21 7.727 -6.513 -0.533 1.00 0.00 N ATOM 275 CA SER A 21 6.830 -5.410 -0.865 1.00 0.00 C ATOM 276 C SER A 21 5.686 -5.878 -1.761 1.00 0.00 C ATOM 277 O SER A 21 5.734 -6.961 -2.344 1.00 0.00 O ATOM 278 CB SER A 21 7.610 -4.315 -1.591 1.00 0.00 C ATOM 279 OG SER A 21 7.568 -4.561 -2.990 1.00 0.00 O ATOM 0 H SER A 21 8.687 -6.387 -0.853 1.00 0.00 H new ATOM 0 HA SER A 21 6.412 -5.025 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.181 -3.338 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.643 -4.296 -1.244 1.00 0.00 H new ATOM 0 HG SER A 21 6.940 -3.939 -3.413 1.00 0.00 H new ATOM 285 N PHE A 22 4.668 -5.031 -1.878 1.00 0.00 N ATOM 286 CA PHE A 22 3.516 -5.331 -2.722 1.00 0.00 C ATOM 287 C PHE A 22 3.125 -4.109 -3.532 1.00 0.00 C ATOM 288 O PHE A 22 3.284 -2.980 -3.082 1.00 0.00 O ATOM 289 CB PHE A 22 2.269 -5.684 -1.898 1.00 0.00 C ATOM 290 CG PHE A 22 2.357 -7.010 -1.175 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.131 -8.080 -1.655 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.597 -7.168 -0.012 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.136 -9.297 -0.965 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.611 -8.382 0.677 1.00 0.00 C ATOM 295 CZ PHE A 22 2.378 -9.445 0.201 1.00 0.00 C ATOM 0 H PHE A 22 4.617 -4.132 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 22 3.818 -6.171 -3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.096 -4.895 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.403 -5.701 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.720 -7.963 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.997 -6.348 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.726 -10.123 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.028 -8.498 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.387 -10.384 0.734 1.00 0.00 H new ATOM 305 N VAL A 23 2.553 -4.353 -4.698 1.00 0.00 N ATOM 306 CA VAL A 23 2.067 -3.273 -5.537 1.00 0.00 C ATOM 307 C VAL A 23 0.616 -3.561 -5.884 1.00 0.00 C ATOM 308 O VAL A 23 0.328 -4.404 -6.734 1.00 0.00 O ATOM 309 CB VAL A 23 2.899 -3.155 -6.813 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.170 -2.249 -7.807 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.257 -2.538 -6.479 1.00 0.00 C ATOM 0 H VAL A 23 2.414 -5.287 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 23 2.150 -2.328 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 23 3.042 -4.144 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.760 -2.161 -8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.196 -2.678 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.034 -1.261 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.852 -2.453 -7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.111 -1.548 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.779 -3.172 -5.762 1.00 0.00 H new ATOM 321 N VAL A 24 -0.296 -2.878 -5.205 1.00 0.00 N ATOM 322 CA VAL A 24 -1.717 -3.098 -5.435 1.00 0.00 C ATOM 323 C VAL A 24 -2.370 -1.878 -6.070 1.00 0.00 C ATOM 324 O VAL A 24 -2.129 -0.744 -5.656 1.00 0.00 O ATOM 325 CB VAL A 24 -2.414 -3.414 -4.108 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.919 -3.558 -4.345 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.865 -4.726 -3.538 1.00 0.00 C ATOM 0 H VAL A 24 -0.081 -2.175 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.821 -3.940 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.229 -2.605 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.416 -3.783 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.314 -2.627 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.100 -4.367 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.362 -4.949 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.049 -5.535 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.793 -4.629 -3.369 1.00 0.00 H new ATOM 337 N SER A 25 -3.216 -2.122 -7.067 1.00 0.00 N ATOM 338 CA SER A 25 -3.919 -1.042 -7.744 1.00 0.00 C ATOM 339 C SER A 25 -5.422 -1.260 -7.634 1.00 0.00 C ATOM 340 O SER A 25 -5.883 -2.392 -7.489 1.00 0.00 O ATOM 341 CB SER A 25 -3.502 -0.973 -9.213 1.00 0.00 C ATOM 342 OG SER A 25 -3.965 -2.131 -9.894 1.00 0.00 O ATOM 0 H SER A 25 -3.429 -3.054 -7.421 1.00 0.00 H new ATOM 0 HA SER A 25 -3.659 -0.097 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.914 -0.077 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.417 -0.902 -9.291 1.00 0.00 H new ATOM 0 HG SER A 25 -3.699 -2.085 -10.836 1.00 0.00 H new ATOM 348 N TRP A 26 -6.183 -0.174 -7.686 1.00 0.00 N ATOM 349 CA TRP A 26 -7.631 -0.274 -7.571 1.00 0.00 C ATOM 350 C TRP A 26 -8.319 0.741 -8.471 1.00 0.00 C ATOM 351 O TRP A 26 -7.686 1.375 -9.315 1.00 0.00 O ATOM 352 CB TRP A 26 -8.040 -0.014 -6.122 1.00 0.00 C ATOM 353 CG TRP A 26 -7.377 1.241 -5.650 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.848 2.491 -5.851 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.130 1.388 -4.912 1.00 0.00 C ATOM 356 NE1 TRP A 26 -6.973 3.399 -5.283 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.897 2.766 -4.691 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.186 0.468 -4.417 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.768 3.216 -4.002 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.050 0.916 -3.724 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.841 2.287 -3.518 1.00 0.00 C ATOM 0 H TRP A 26 -5.827 0.774 -7.806 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.934 -1.275 -7.878 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.123 0.081 -6.047 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.749 -0.854 -5.492 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.761 2.741 -6.371 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.106 4.410 -5.299 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.337 -0.590 -4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.612 4.273 -3.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.334 0.201 -3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.964 2.626 -2.986 1.00 0.00 H new ATOM 372 N VAL A 27 -9.621 0.893 -8.276 1.00 0.00 N ATOM 373 CA VAL A 27 -10.396 1.836 -9.063 1.00 0.00 C ATOM 374 C VAL A 27 -10.938 2.944 -8.172 1.00 0.00 C ATOM 375 O VAL A 27 -11.480 2.681 -7.098 1.00 0.00 O ATOM 376 CB VAL A 27 -11.554 1.115 -9.754 1.00 0.00 C ATOM 377 CG1 VAL A 27 -12.467 2.143 -10.424 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.994 0.166 -10.817 1.00 0.00 C ATOM 0 H VAL A 27 -10.160 0.376 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.746 2.276 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.123 0.548 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.293 1.630 -10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.861 2.825 -9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.898 2.708 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.816 -0.351 -11.313 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.428 0.737 -11.553 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.339 -0.565 -10.343 1.00 0.00 H new ATOM 388 N SER A 28 -10.783 4.182 -8.621 1.00 0.00 N ATOM 389 CA SER A 28 -11.259 5.326 -7.852 1.00 0.00 C ATOM 390 C SER A 28 -12.719 5.135 -7.464 1.00 0.00 C ATOM 391 O SER A 28 -13.169 5.628 -6.429 1.00 0.00 O ATOM 392 CB SER A 28 -11.125 6.601 -8.680 1.00 0.00 C ATOM 393 OG SER A 28 -11.984 6.518 -9.811 1.00 0.00 O ATOM 0 H SER A 28 -10.335 4.420 -9.506 1.00 0.00 H new ATOM 0 HA SER A 28 -10.655 5.409 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.384 7.470 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.092 6.733 -9.002 1.00 0.00 H new ATOM 0 HG SER A 28 -11.902 7.336 -10.345 1.00 0.00 H new ATOM 446 N VAL A 33 -13.589 11.531 -4.602 1.00 0.00 N ATOM 447 CA VAL A 33 -12.583 11.150 -3.627 1.00 0.00 C ATOM 448 C VAL A 33 -11.538 12.248 -3.490 1.00 0.00 C ATOM 449 O VAL A 33 -11.068 12.802 -4.485 1.00 0.00 O ATOM 450 CB VAL A 33 -11.905 9.845 -4.058 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.462 9.950 -5.516 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.681 9.590 -3.176 1.00 0.00 C ATOM 0 HA VAL A 33 -13.070 11.002 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.612 9.022 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.981 9.020 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.331 10.130 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.758 10.775 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.199 8.662 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.978 10.416 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.993 9.510 -2.135 1.00 0.00 H new ATOM 462 N SER A 34 -11.180 12.555 -2.248 1.00 0.00 N ATOM 463 CA SER A 34 -10.183 13.584 -1.979 1.00 0.00 C ATOM 464 C SER A 34 -8.817 12.936 -1.807 1.00 0.00 C ATOM 465 O SER A 34 -7.784 13.604 -1.846 1.00 0.00 O ATOM 466 CB SER A 34 -10.553 14.351 -0.710 1.00 0.00 C ATOM 467 OG SER A 34 -11.815 14.977 -0.893 1.00 0.00 O ATOM 0 H SER A 34 -11.563 12.108 -1.415 1.00 0.00 H new ATOM 0 HA SER A 34 -10.152 14.280 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.591 13.672 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.792 15.099 -0.488 1.00 0.00 H new ATOM 0 HG SER A 34 -12.007 15.052 -1.851 1.00 0.00 H new ATOM 473 N GLY A 35 -8.830 11.623 -1.617 1.00 0.00 N ATOM 474 CA GLY A 35 -7.604 10.860 -1.440 1.00 0.00 C ATOM 475 C GLY A 35 -7.941 9.400 -1.184 1.00 0.00 C ATOM 476 O GLY A 35 -9.109 9.023 -1.160 1.00 0.00 O ATOM 0 H GLY A 35 -9.682 11.063 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.978 10.948 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.031 11.263 -0.605 1.00 0.00 H new ATOM 480 N PHE A 36 -6.922 8.582 -0.980 1.00 0.00 N ATOM 481 CA PHE A 36 -7.148 7.171 -0.711 1.00 0.00 C ATOM 482 C PHE A 36 -6.408 6.743 0.539 1.00 0.00 C ATOM 483 O PHE A 36 -5.381 7.316 0.893 1.00 0.00 O ATOM 484 CB PHE A 36 -6.687 6.320 -1.893 1.00 0.00 C ATOM 485 CG PHE A 36 -7.570 6.593 -3.085 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.783 5.909 -3.233 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.174 7.529 -4.045 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.599 6.162 -4.341 1.00 0.00 C ATOM 489 CE2 PHE A 36 -7.989 7.783 -5.153 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.201 7.099 -5.302 1.00 0.00 C ATOM 0 H PHE A 36 -5.942 8.865 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.217 7.023 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.649 6.548 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.728 5.263 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.089 5.186 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.238 8.056 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.535 5.635 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.683 8.507 -5.894 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.829 7.294 -6.158 1.00 0.00 H new ATOM 500 N ARG A 37 -6.930 5.725 1.198 1.00 0.00 N ATOM 501 CA ARG A 37 -6.299 5.221 2.402 1.00 0.00 C ATOM 502 C ARG A 37 -6.161 3.713 2.311 1.00 0.00 C ATOM 503 O ARG A 37 -7.147 2.997 2.130 1.00 0.00 O ATOM 504 CB ARG A 37 -7.124 5.590 3.632 1.00 0.00 C ATOM 505 CG ARG A 37 -6.268 5.396 4.885 1.00 0.00 C ATOM 506 CD ARG A 37 -7.087 5.757 6.124 1.00 0.00 C ATOM 507 NE ARG A 37 -8.035 4.692 6.427 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.520 4.532 7.654 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.153 5.339 8.612 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.366 3.568 7.901 1.00 0.00 N ATOM 0 H ARG A 37 -7.781 5.235 0.923 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.311 5.673 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.460 6.624 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.017 4.967 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.928 4.362 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.377 6.022 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.424 5.916 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.621 6.693 5.957 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.331 4.059 5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.494 6.093 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.526 5.216 9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.654 2.938 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.738 3.445 8.843 1.00 0.00 H new ATOM 524 N VAL A 38 -4.934 3.237 2.430 1.00 0.00 N ATOM 525 CA VAL A 38 -4.684 1.805 2.352 1.00 0.00 C ATOM 526 C VAL A 38 -4.300 1.246 3.711 1.00 0.00 C ATOM 527 O VAL A 38 -3.469 1.818 4.417 1.00 0.00 O ATOM 528 CB VAL A 38 -3.567 1.522 1.345 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.319 0.012 1.260 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.985 2.049 -0.027 1.00 0.00 C ATOM 0 H VAL A 38 -4.104 3.811 2.579 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.602 1.318 2.023 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.651 2.018 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.523 -0.186 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.026 -0.364 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.232 -0.489 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.193 1.851 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.900 1.550 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.160 3.123 0.034 1.00 0.00 H new ATOM 540 N GLU A 39 -4.901 0.120 4.069 1.00 0.00 N ATOM 541 CA GLU A 39 -4.599 -0.504 5.343 1.00 0.00 C ATOM 542 C GLU A 39 -4.083 -1.918 5.126 1.00 0.00 C ATOM 543 O GLU A 39 -4.723 -2.730 4.458 1.00 0.00 O ATOM 544 CB GLU A 39 -5.846 -0.549 6.228 1.00 0.00 C ATOM 545 CG GLU A 39 -5.458 -1.056 7.620 1.00 0.00 C ATOM 546 CD GLU A 39 -6.708 -1.226 8.478 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.785 -0.951 7.979 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.568 -1.625 9.622 1.00 0.00 O ATOM 0 H GLU A 39 -5.591 -0.372 3.502 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.831 0.090 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.291 0.443 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.597 -1.204 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.932 -2.007 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.773 -0.353 8.095 1.00 0.00 H new ATOM 555 N TYR A 40 -2.926 -2.210 5.702 1.00 0.00 N ATOM 556 CA TYR A 40 -2.341 -3.532 5.570 1.00 0.00 C ATOM 557 C TYR A 40 -1.864 -4.040 6.920 1.00 0.00 C ATOM 558 O TYR A 40 -1.178 -3.335 7.662 1.00 0.00 O ATOM 559 CB TYR A 40 -1.179 -3.504 4.569 1.00 0.00 C ATOM 560 CG TYR A 40 -0.065 -2.616 5.077 1.00 0.00 C ATOM 561 CD1 TYR A 40 0.947 -3.151 5.883 1.00 0.00 C ATOM 562 CD2 TYR A 40 -0.037 -1.260 4.726 1.00 0.00 C ATOM 563 CE1 TYR A 40 1.988 -2.330 6.337 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.003 -0.440 5.182 1.00 0.00 C ATOM 565 CZ TYR A 40 2.015 -0.975 5.988 1.00 0.00 C ATOM 566 OH TYR A 40 3.041 -0.167 6.436 1.00 0.00 O ATOM 0 H TYR A 40 -2.379 -1.554 6.260 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.106 -4.212 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.803 -4.515 4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.531 -3.140 3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.925 -4.196 6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.817 -0.847 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.770 -2.743 6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.024 0.605 4.912 1.00 0.00 H new ATOM 0 HH TYR A 40 3.250 -0.390 7.367 1.00 0.00 H new ATOM 576 N GLU A 41 -2.244 -5.270 7.232 1.00 0.00 N ATOM 577 CA GLU A 41 -1.872 -5.886 8.491 1.00 0.00 C ATOM 578 C GLU A 41 -1.700 -7.388 8.290 1.00 0.00 C ATOM 579 O GLU A 41 -2.187 -7.946 7.306 1.00 0.00 O ATOM 580 CB GLU A 41 -2.957 -5.623 9.535 1.00 0.00 C ATOM 581 CG GLU A 41 -4.142 -6.560 9.291 1.00 0.00 C ATOM 582 CD GLU A 41 -5.283 -6.215 10.245 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.100 -5.322 11.056 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.322 -6.848 10.149 1.00 0.00 O ATOM 0 H GLU A 41 -2.812 -5.861 6.626 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.932 -5.459 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.557 -5.779 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.284 -4.585 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.480 -6.471 8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.834 -7.595 9.438 1.00 0.00 H new ATOM 591 N LEU A 42 -1.011 -8.042 9.214 1.00 0.00 N ATOM 592 CA LEU A 42 -0.794 -9.482 9.106 1.00 0.00 C ATOM 593 C LEU A 42 -2.048 -10.270 9.469 1.00 0.00 C ATOM 594 O LEU A 42 -2.656 -10.045 10.515 1.00 0.00 O ATOM 595 CB LEU A 42 0.348 -9.908 10.026 1.00 0.00 C ATOM 596 CG LEU A 42 1.676 -9.462 9.427 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.797 -9.725 10.432 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.938 -10.266 8.152 1.00 0.00 C ATOM 0 H LEU A 42 -0.596 -7.607 10.038 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.541 -9.698 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.217 -9.468 11.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.340 -10.990 10.156 1.00 0.00 H new ATOM 0 HG LEU A 42 1.640 -8.398 9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.749 -9.407 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.604 -9.166 11.347 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.839 -10.790 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.887 -9.955 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.981 -11.328 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.134 -10.089 7.438 1.00 0.00 H new ATOM 610 N SER A 43 -2.416 -11.211 8.601 1.00 0.00 N ATOM 611 CA SER A 43 -3.587 -12.048 8.845 1.00 0.00 C ATOM 612 C SER A 43 -3.274 -13.088 9.914 1.00 0.00 C ATOM 613 O SER A 43 -4.173 -13.608 10.575 1.00 0.00 O ATOM 614 CB SER A 43 -3.999 -12.761 7.557 1.00 0.00 C ATOM 615 OG SER A 43 -3.129 -13.863 7.338 1.00 0.00 O ATOM 0 H SER A 43 -1.924 -11.411 7.730 1.00 0.00 H new ATOM 0 HA SER A 43 -4.403 -11.411 9.186 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.031 -13.105 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.953 -12.072 6.714 1.00 0.00 H new ATOM 0 HG SER A 43 -3.659 -14.668 7.162 1.00 0.00 H new ATOM 621 N GLU A 44 -1.988 -13.388 10.074 1.00 0.00 N ATOM 622 CA GLU A 44 -1.553 -14.367 11.062 1.00 0.00 C ATOM 623 C GLU A 44 -1.282 -13.692 12.399 1.00 0.00 C ATOM 624 O GLU A 44 -2.027 -13.870 13.364 1.00 0.00 O ATOM 625 CB GLU A 44 -0.277 -15.066 10.585 1.00 0.00 C ATOM 626 CG GLU A 44 -0.524 -15.722 9.226 1.00 0.00 C ATOM 627 CD GLU A 44 0.684 -16.563 8.831 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.338 -17.079 9.723 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.937 -16.682 7.644 1.00 0.00 O ATOM 0 H GLU A 44 -1.232 -12.968 9.533 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.348 -15.102 11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.537 -14.345 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.030 -15.818 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.415 -16.348 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.709 -14.958 8.471 1.00 0.00 H new ATOM 685 N PRO A 49 -2.546 -2.551 12.664 1.00 0.00 N ATOM 686 CA PRO A 49 -2.757 -2.137 11.250 1.00 0.00 C ATOM 687 C PRO A 49 -2.016 -0.847 10.920 1.00 0.00 C ATOM 688 O PRO A 49 -1.842 0.019 11.777 1.00 0.00 O ATOM 689 CB PRO A 49 -4.270 -1.933 11.150 1.00 0.00 C ATOM 690 CG PRO A 49 -4.717 -1.620 12.539 1.00 0.00 C ATOM 691 CD PRO A 49 -3.751 -2.338 13.482 1.00 0.00 C ATOM 0 HA PRO A 49 -2.377 -2.877 10.546 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.513 -1.120 10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.763 -2.828 10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.704 -0.545 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.740 -1.958 12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.533 -1.736 14.364 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.166 -3.282 13.835 1.00 0.00 H new ATOM 699 N GLN A 50 -1.595 -0.727 9.672 1.00 0.00 N ATOM 700 CA GLN A 50 -0.884 0.463 9.225 1.00 0.00 C ATOM 701 C GLN A 50 -1.708 1.160 8.154 1.00 0.00 C ATOM 702 O GLN A 50 -2.430 0.503 7.409 1.00 0.00 O ATOM 703 CB GLN A 50 0.483 0.061 8.668 1.00 0.00 C ATOM 704 CG GLN A 50 1.278 -0.650 9.766 1.00 0.00 C ATOM 705 CD GLN A 50 2.297 -1.597 9.145 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.199 -1.161 8.429 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.202 -2.878 9.379 1.00 0.00 N ATOM 0 H GLN A 50 -1.732 -1.436 8.951 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.734 1.146 10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.360 -0.595 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.023 0.943 8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.786 0.084 10.391 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.601 -1.206 10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.453 -3.234 9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.877 -3.523 8.968 1.00 0.00 H new ATOM 716 N TYR A 51 -1.627 2.483 8.084 1.00 0.00 N ATOM 717 CA TYR A 51 -2.415 3.207 7.094 1.00 0.00 C ATOM 718 C TYR A 51 -1.542 4.078 6.197 1.00 0.00 C ATOM 719 O TYR A 51 -0.613 4.742 6.659 1.00 0.00 O ATOM 720 CB TYR A 51 -3.443 4.092 7.801 1.00 0.00 C ATOM 721 CG TYR A 51 -4.173 3.278 8.840 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.262 2.481 8.471 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.756 3.320 10.177 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.936 1.728 9.441 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.429 2.566 11.144 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.519 1.771 10.777 1.00 0.00 C ATOM 727 OH TYR A 51 -6.182 1.025 11.730 1.00 0.00 O ATOM 0 H TYR A 51 -1.041 3.064 8.683 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.914 2.468 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.947 4.941 8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.150 4.497 7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.582 2.446 7.440 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.915 3.935 10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.778 1.114 9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.107 2.598 12.174 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.550 0.217 11.315 1.00 0.00 H new ATOM 737 N LEU A 52 -1.878 4.090 4.913 1.00 0.00 N ATOM 738 CA LEU A 52 -1.159 4.903 3.941 1.00 0.00 C ATOM 739 C LEU A 52 -2.147 5.802 3.219 1.00 0.00 C ATOM 740 O LEU A 52 -3.165 5.335 2.712 1.00 0.00 O ATOM 741 CB LEU A 52 -0.442 4.014 2.928 1.00 0.00 C ATOM 742 CG LEU A 52 0.473 3.041 3.668 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.087 2.056 2.673 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.593 3.821 4.363 1.00 0.00 C ATOM 0 H LEU A 52 -2.645 3.545 4.520 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.416 5.507 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.169 3.464 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.140 4.625 2.238 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.108 2.494 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.740 1.363 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.293 1.499 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.667 2.603 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.246 3.127 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.171 4.368 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.160 4.524 5.074 1.00 0.00 H new ATOM 756 N ASP A 53 -1.850 7.088 3.183 1.00 0.00 N ATOM 757 CA ASP A 53 -2.738 8.037 2.526 1.00 0.00 C ATOM 758 C ASP A 53 -2.187 8.448 1.165 1.00 0.00 C ATOM 759 O ASP A 53 -1.011 8.785 1.034 1.00 0.00 O ATOM 760 CB ASP A 53 -2.925 9.269 3.407 1.00 0.00 C ATOM 761 CG ASP A 53 -3.491 8.857 4.764 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.937 7.727 4.879 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.466 9.676 5.669 1.00 0.00 O ATOM 0 H ASP A 53 -1.012 7.499 3.595 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.703 7.554 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.971 9.779 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.599 9.975 2.921 1.00 0.00 H new ATOM 768 N LEU A 54 -3.049 8.407 0.155 1.00 0.00 N ATOM 769 CA LEU A 54 -2.649 8.762 -1.201 1.00 0.00 C ATOM 770 C LEU A 54 -3.624 9.786 -1.780 1.00 0.00 C ATOM 771 O LEU A 54 -4.778 9.851 -1.361 1.00 0.00 O ATOM 772 CB LEU A 54 -2.656 7.509 -2.083 1.00 0.00 C ATOM 773 CG LEU A 54 -2.133 6.303 -1.297 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.603 5.015 -1.975 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.605 6.341 -1.277 1.00 0.00 C ATOM 0 H LEU A 54 -4.027 8.132 0.249 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.647 9.189 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.668 7.310 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.037 7.673 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.513 6.335 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.232 4.154 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.693 4.992 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.219 4.980 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.227 5.485 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.227 6.304 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.270 7.262 -0.799 1.00 0.00 H new ATOM 787 N PRO A 55 -3.193 10.575 -2.731 1.00 0.00 N ATOM 788 CA PRO A 55 -4.067 11.600 -3.365 1.00 0.00 C ATOM 789 C PRO A 55 -5.183 10.968 -4.193 1.00 0.00 C ATOM 790 O PRO A 55 -5.064 9.833 -4.655 1.00 0.00 O ATOM 791 CB PRO A 55 -3.127 12.421 -4.250 1.00 0.00 C ATOM 792 CG PRO A 55 -1.893 11.599 -4.436 1.00 0.00 C ATOM 793 CD PRO A 55 -1.834 10.578 -3.298 1.00 0.00 C ATOM 0 HA PRO A 55 -4.574 12.209 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.593 12.643 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.890 13.376 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.913 11.094 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.007 12.233 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.556 9.590 -3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.093 10.860 -2.550 1.00 0.00 H new ATOM 801 N SER A 56 -6.265 11.718 -4.373 1.00 0.00 N ATOM 802 CA SER A 56 -7.405 11.237 -5.146 1.00 0.00 C ATOM 803 C SER A 56 -6.977 10.870 -6.564 1.00 0.00 C ATOM 804 O SER A 56 -7.714 10.203 -7.290 1.00 0.00 O ATOM 805 CB SER A 56 -8.493 12.308 -5.202 1.00 0.00 C ATOM 806 OG SER A 56 -7.921 13.534 -5.637 1.00 0.00 O ATOM 0 H SER A 56 -6.377 12.659 -3.995 1.00 0.00 H new ATOM 0 HA SER A 56 -7.799 10.347 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.287 12.001 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.947 12.433 -4.219 1.00 0.00 H new ATOM 0 HG SER A 56 -8.616 14.224 -5.676 1.00 0.00 H new ATOM 812 N THR A 57 -5.786 11.310 -6.956 1.00 0.00 N ATOM 813 CA THR A 57 -5.285 11.011 -8.293 1.00 0.00 C ATOM 814 C THR A 57 -4.511 9.699 -8.288 1.00 0.00 C ATOM 815 O THR A 57 -4.187 9.155 -9.343 1.00 0.00 O ATOM 816 CB THR A 57 -4.373 12.141 -8.776 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.207 12.186 -7.965 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.116 13.475 -8.679 1.00 0.00 C ATOM 0 H THR A 57 -5.157 11.867 -6.377 1.00 0.00 H new ATOM 0 HA THR A 57 -6.135 10.919 -8.969 1.00 0.00 H new ATOM 0 HB THR A 57 -4.088 11.961 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.621 12.908 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.466 14.279 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.010 13.440 -9.301 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.402 13.658 -7.643 1.00 0.00 H new ATOM 826 N ALA A 58 -4.227 9.190 -7.093 1.00 0.00 N ATOM 827 CA ALA A 58 -3.501 7.933 -6.964 1.00 0.00 C ATOM 828 C ALA A 58 -4.453 6.751 -7.101 1.00 0.00 C ATOM 829 O ALA A 58 -5.501 6.712 -6.457 1.00 0.00 O ATOM 830 CB ALA A 58 -2.802 7.873 -5.604 1.00 0.00 C ATOM 0 H ALA A 58 -4.486 9.625 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.756 7.880 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.261 6.931 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.101 8.703 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.545 7.942 -4.810 1.00 0.00 H new ATOM 836 N THR A 59 -4.084 5.784 -7.933 1.00 0.00 N ATOM 837 CA THR A 59 -4.921 4.607 -8.124 1.00 0.00 C ATOM 838 C THR A 59 -4.126 3.335 -7.860 1.00 0.00 C ATOM 839 O THR A 59 -4.595 2.232 -8.135 1.00 0.00 O ATOM 840 CB THR A 59 -5.486 4.582 -9.543 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.423 4.692 -10.479 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.460 5.747 -9.727 1.00 0.00 C ATOM 0 H THR A 59 -3.223 5.791 -8.479 1.00 0.00 H new ATOM 0 HA THR A 59 -5.747 4.657 -7.414 1.00 0.00 H new ATOM 0 HB THR A 59 -6.014 3.643 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.786 4.674 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.863 5.728 -10.740 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.276 5.656 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.936 6.689 -9.562 1.00 0.00 H new ATOM 850 N SER A 60 -2.925 3.495 -7.314 1.00 0.00 N ATOM 851 CA SER A 60 -2.079 2.350 -7.003 1.00 0.00 C ATOM 852 C SER A 60 -0.956 2.770 -6.067 1.00 0.00 C ATOM 853 O SER A 60 -0.468 3.899 -6.139 1.00 0.00 O ATOM 854 CB SER A 60 -1.492 1.759 -8.285 1.00 0.00 C ATOM 855 OG SER A 60 -0.441 2.595 -8.755 1.00 0.00 O ATOM 0 H SER A 60 -2.518 4.400 -7.079 1.00 0.00 H new ATOM 0 HA SER A 60 -2.688 1.591 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.115 0.754 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.268 1.670 -9.045 1.00 0.00 H new ATOM 0 HG SER A 60 -0.063 2.216 -9.576 1.00 0.00 H new ATOM 861 N VAL A 61 -0.555 1.864 -5.182 1.00 0.00 N ATOM 862 CA VAL A 61 0.507 2.176 -4.234 1.00 0.00 C ATOM 863 C VAL A 61 1.313 0.938 -3.872 1.00 0.00 C ATOM 864 O VAL A 61 0.802 -0.181 -3.893 1.00 0.00 O ATOM 865 CB VAL A 61 -0.085 2.764 -2.956 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.707 1.643 -2.116 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.024 3.448 -2.153 1.00 0.00 C ATOM 0 H VAL A 61 -0.942 0.924 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 61 1.167 2.899 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.854 3.493 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.130 2.064 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.495 1.154 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.060 0.913 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.605 3.869 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.791 2.717 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.467 4.245 -2.750 1.00 0.00 H new ATOM 877 N ASN A 62 2.572 1.160 -3.519 1.00 0.00 N ATOM 878 CA ASN A 62 3.443 0.067 -3.126 1.00 0.00 C ATOM 879 C ASN A 62 3.581 0.038 -1.607 1.00 0.00 C ATOM 880 O ASN A 62 3.959 1.036 -0.995 1.00 0.00 O ATOM 881 CB ASN A 62 4.824 0.227 -3.762 1.00 0.00 C ATOM 882 CG ASN A 62 5.734 -0.909 -3.310 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.353 -2.146 -3.481 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.815 -0.665 -2.774 1.00 0.00 N flip ATOM 0 H ASN A 62 3.008 2.082 -3.497 1.00 0.00 H new ATOM 0 HA ASN A 62 3.003 -0.869 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.737 0.225 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.256 1.187 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.112 0.302 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.414 -1.430 -2.463 1.00 0.00 H new ATOM 891 N ILE A 63 3.272 -1.106 -1.005 1.00 0.00 N ATOM 892 CA ILE A 63 3.367 -1.246 0.445 1.00 0.00 C ATOM 893 C ILE A 63 4.696 -1.902 0.822 1.00 0.00 C ATOM 894 O ILE A 63 4.882 -3.098 0.607 1.00 0.00 O ATOM 895 CB ILE A 63 2.214 -2.103 0.963 1.00 0.00 C ATOM 896 CG1 ILE A 63 0.911 -1.679 0.277 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.087 -1.910 2.476 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.281 -2.148 1.111 1.00 0.00 C ATOM 0 H ILE A 63 2.956 -1.944 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 63 3.313 -0.255 0.896 1.00 0.00 H new ATOM 0 HB ILE A 63 2.408 -3.153 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.884 -0.595 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.859 -2.107 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.265 -2.519 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.015 -2.213 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.890 -0.860 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.208 -1.846 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.256 -3.234 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.230 -1.699 2.103 1.00 0.00 H new ATOM 910 N PRO A 64 5.620 -1.153 1.365 1.00 0.00 N ATOM 911 CA PRO A 64 6.950 -1.676 1.756 1.00 0.00 C ATOM 912 C PRO A 64 7.006 -2.150 3.208 1.00 0.00 C ATOM 913 O PRO A 64 6.019 -2.097 3.939 1.00 0.00 O ATOM 914 CB PRO A 64 7.838 -0.458 1.559 1.00 0.00 C ATOM 915 CG PRO A 64 6.975 0.699 1.954 1.00 0.00 C ATOM 916 CD PRO A 64 5.524 0.285 1.671 1.00 0.00 C ATOM 0 HA PRO A 64 7.238 -2.554 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.734 -0.515 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.170 -0.371 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.110 0.940 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.240 1.591 1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.881 0.468 2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.105 0.844 0.835 1.00 0.00 H new ATOM 924 N ASP A 65 8.189 -2.600 3.606 1.00 0.00 N ATOM 925 CA ASP A 65 8.424 -3.077 4.966 1.00 0.00 C ATOM 926 C ASP A 65 7.499 -4.238 5.320 1.00 0.00 C ATOM 927 O ASP A 65 7.031 -4.345 6.454 1.00 0.00 O ATOM 928 CB ASP A 65 8.210 -1.932 5.960 1.00 0.00 C ATOM 929 CG ASP A 65 9.197 -0.802 5.680 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.272 -1.091 5.181 1.00 0.00 O ATOM 931 OD2 ASP A 65 8.863 0.334 5.971 1.00 0.00 O ATOM 0 H ASP A 65 9.009 -2.645 3.001 1.00 0.00 H new ATOM 0 HA ASP A 65 9.453 -3.433 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.188 -1.560 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.341 -2.296 6.979 1.00 0.00 H new ATOM 936 N LEU A 66 7.254 -5.113 4.353 1.00 0.00 N ATOM 937 CA LEU A 66 6.402 -6.274 4.584 1.00 0.00 C ATOM 938 C LEU A 66 7.245 -7.459 5.050 1.00 0.00 C ATOM 939 O LEU A 66 8.394 -7.608 4.633 1.00 0.00 O ATOM 940 CB LEU A 66 5.652 -6.642 3.301 1.00 0.00 C ATOM 941 CG LEU A 66 4.823 -5.444 2.831 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.964 -5.852 1.632 1.00 0.00 C ATOM 943 CD2 LEU A 66 3.914 -4.978 3.971 1.00 0.00 C ATOM 0 H LEU A 66 7.630 -5.043 3.407 1.00 0.00 H new ATOM 0 HA LEU A 66 5.677 -6.027 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.359 -6.935 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.003 -7.499 3.480 1.00 0.00 H new ATOM 0 HG LEU A 66 5.491 -4.633 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.375 -4.998 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.609 -6.187 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.296 -6.663 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.322 -4.125 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.248 -5.791 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.524 -4.686 4.826 1.00 0.00 H new ATOM 955 N LEU A 67 6.678 -8.300 5.913 1.00 0.00 N ATOM 956 CA LEU A 67 7.407 -9.459 6.411 1.00 0.00 C ATOM 957 C LEU A 67 7.243 -10.641 5.451 1.00 0.00 C ATOM 958 O LEU A 67 6.120 -11.046 5.150 1.00 0.00 O ATOM 959 CB LEU A 67 6.886 -9.852 7.795 1.00 0.00 C ATOM 960 CG LEU A 67 7.349 -8.824 8.828 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.444 -8.887 10.061 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.785 -9.148 9.241 1.00 0.00 C ATOM 0 H LEU A 67 5.730 -8.201 6.276 1.00 0.00 H new ATOM 0 HA LEU A 67 8.463 -9.199 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.797 -9.906 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.251 -10.843 8.064 1.00 0.00 H new ATOM 0 HG LEU A 67 7.300 -7.825 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.777 -8.153 10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.417 -8.668 9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.493 -9.885 10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.125 -8.420 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.822 -10.147 9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.433 -9.108 8.366 1.00 0.00 H new ATOM 974 N PRO A 68 8.327 -11.198 4.962 1.00 0.00 N ATOM 975 CA PRO A 68 8.272 -12.347 4.017 1.00 0.00 C ATOM 976 C PRO A 68 7.770 -13.625 4.680 1.00 0.00 C ATOM 977 O PRO A 68 8.073 -13.894 5.843 1.00 0.00 O ATOM 978 CB PRO A 68 9.710 -12.506 3.528 1.00 0.00 C ATOM 979 CG PRO A 68 10.563 -11.865 4.565 1.00 0.00 C ATOM 980 CD PRO A 68 9.712 -10.801 5.258 1.00 0.00 C ATOM 0 HA PRO A 68 7.569 -12.162 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.967 -13.558 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.848 -12.029 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.915 -12.605 5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.447 -11.416 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.899 -10.778 6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.931 -9.804 4.875 1.00 0.00 H new ATOM 988 N GLY A 69 7.001 -14.409 3.932 1.00 0.00 N ATOM 989 CA GLY A 69 6.464 -15.658 4.457 1.00 0.00 C ATOM 990 C GLY A 69 5.259 -15.399 5.354 1.00 0.00 C ATOM 991 O GLY A 69 4.888 -16.245 6.167 1.00 0.00 O ATOM 0 H GLY A 69 6.737 -14.204 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.175 -16.309 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.236 -16.182 5.021 1.00 0.00 H new ATOM 995 N ARG A 70 4.655 -14.224 5.205 1.00 0.00 N ATOM 996 CA ARG A 70 3.496 -13.866 6.013 1.00 0.00 C ATOM 997 C ARG A 70 2.335 -13.443 5.127 1.00 0.00 C ATOM 998 O ARG A 70 2.538 -12.925 4.028 1.00 0.00 O ATOM 999 CB ARG A 70 3.853 -12.717 6.952 1.00 0.00 C ATOM 1000 CG ARG A 70 5.165 -13.030 7.668 1.00 0.00 C ATOM 1001 CD ARG A 70 4.927 -14.088 8.744 1.00 0.00 C ATOM 1002 NE ARG A 70 5.399 -13.602 10.034 1.00 0.00 N ATOM 1003 CZ ARG A 70 6.617 -13.090 10.166 1.00 0.00 C ATOM 1004 NH1 ARG A 70 7.402 -12.996 9.128 1.00 0.00 N ATOM 1005 NH2 ARG A 70 7.028 -12.675 11.333 1.00 0.00 N ATOM 0 H ARG A 70 4.946 -13.509 4.538 1.00 0.00 H new ATOM 0 HA ARG A 70 3.201 -14.740 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.947 -11.789 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.056 -12.568 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.905 -13.387 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.569 -12.124 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.865 -14.327 8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.447 -15.009 8.481 1.00 0.00 H new ATOM 0 HE ARG A 70 4.785 -13.656 10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.080 -13.316 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.338 -12.603 9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.414 -12.744 12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.964 -12.282 11.434 1.00 0.00 H new ATOM 1019 N LYS A 71 1.117 -13.651 5.612 1.00 0.00 N ATOM 1020 CA LYS A 71 -0.057 -13.267 4.851 1.00 0.00 C ATOM 1021 C LYS A 71 -0.610 -11.947 5.367 1.00 0.00 C ATOM 1022 O LYS A 71 -0.807 -11.768 6.569 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.128 -14.353 4.942 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.257 -14.025 3.966 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.346 -15.093 4.063 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.277 -14.967 2.859 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.234 -16.108 2.843 1.00 0.00 N ATOM 0 H LYS A 71 0.921 -14.078 6.517 1.00 0.00 H new ATOM 0 HA LYS A 71 0.232 -13.145 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.698 -15.326 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.516 -14.414 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.674 -13.044 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.869 -13.978 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.898 -16.086 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.909 -14.973 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.821 -14.024 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.695 -14.955 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.866 -16.019 2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.707 -17.002 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.798 -16.100 3.717 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.860 -11.028 4.448 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.396 -9.722 4.812 1.00 0.00 C ATOM 1043 C TYR A 72 -2.767 -9.505 4.196 1.00 0.00 C ATOM 1044 O TYR A 72 -3.110 -10.107 3.178 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.505 -8.601 4.289 1.00 0.00 C ATOM 1046 CG TYR A 72 0.827 -8.573 4.993 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.832 -9.475 4.630 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.063 -7.620 5.990 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.076 -9.426 5.269 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.307 -7.566 6.623 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.313 -8.469 6.265 1.00 0.00 C ATOM 1052 OH TYR A 72 4.539 -8.410 6.888 1.00 0.00 O ATOM 0 H TYR A 72 -0.702 -11.159 3.449 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.450 -9.703 5.901 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.348 -8.731 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.008 -7.643 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.649 -10.208 3.858 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.284 -6.927 6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.852 -10.125 4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.492 -6.827 7.389 1.00 0.00 H new ATOM 0 HH TYR A 72 4.534 -7.689 7.552 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.518 -8.593 4.792 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.825 -8.232 4.276 1.00 0.00 C ATOM 1064 C ILE A 73 -4.757 -6.795 3.791 1.00 0.00 C ATOM 1065 O ILE A 73 -4.345 -5.901 4.529 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.889 -8.371 5.363 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.895 -9.812 5.876 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.260 -8.029 4.776 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.853 -9.936 7.062 1.00 0.00 C ATOM 0 H ILE A 73 -3.243 -8.089 5.635 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.098 -8.897 3.456 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.669 -7.691 6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.199 -10.490 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.889 -10.105 6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.022 -8.127 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.251 -7.005 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.485 -8.711 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.853 -10.964 7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.530 -9.270 7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.860 -9.662 6.747 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.142 -6.576 2.547 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.096 -5.239 1.982 1.00 0.00 C ATOM 1083 C VAL A 74 -6.498 -4.722 1.716 1.00 0.00 C ATOM 1084 O VAL A 74 -7.309 -5.389 1.074 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.299 -5.253 0.675 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.219 -3.832 0.111 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.886 -5.774 0.947 1.00 0.00 C ATOM 0 H VAL A 74 -5.487 -7.298 1.914 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.609 -4.579 2.699 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.794 -5.903 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.652 -3.841 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.225 -3.460 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.723 -3.182 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.317 -5.785 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.391 -5.124 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.942 -6.785 1.350 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.770 -3.525 2.209 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.072 -2.909 2.019 1.00 0.00 C ATOM 1099 C ASN A 75 -7.889 -1.467 1.578 1.00 0.00 C ATOM 1100 O ASN A 75 -7.194 -0.692 2.234 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.869 -2.957 3.323 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.796 -4.349 3.933 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.594 -5.224 3.596 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.874 -4.608 4.815 1.00 0.00 N ATOM 0 H ASN A 75 -6.108 -2.962 2.743 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.620 -3.456 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.475 -2.223 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.908 -2.690 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.811 -5.538 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.214 -3.881 5.092 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.505 -1.109 0.461 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.381 0.246 -0.047 1.00 0.00 C ATOM 1113 C VAL A 76 -9.654 1.035 0.218 1.00 0.00 C ATOM 1114 O VAL A 76 -10.753 0.596 -0.123 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.106 0.216 -1.550 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.712 1.614 -2.028 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.967 -0.766 -1.838 1.00 0.00 C ATOM 0 H VAL A 76 -9.087 -1.729 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.551 0.731 0.467 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.004 -0.104 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.516 1.590 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.524 2.311 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.814 1.939 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.769 -0.789 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.069 -0.446 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.251 -1.762 -1.500 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.500 2.208 0.815 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.640 3.059 1.106 1.00 0.00 C ATOM 1129 C TYR A 77 -10.467 4.397 0.407 1.00 0.00 C ATOM 1130 O TYR A 77 -9.372 4.951 0.389 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.757 3.302 2.613 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.767 1.984 3.350 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.978 1.327 3.601 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.564 1.426 3.794 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.984 0.110 4.294 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.569 0.211 4.488 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.778 -0.448 4.738 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.782 -1.645 5.423 1.00 0.00 O ATOM 0 H TYR A 77 -8.600 2.589 1.106 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.542 2.562 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.923 3.914 2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.670 3.856 2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.907 1.759 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.630 1.933 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.918 -0.398 4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.639 -0.218 4.831 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.863 -1.891 5.657 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.542 4.925 -0.149 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.460 6.213 -0.816 1.00 0.00 C ATOM 1150 C GLN A 78 -12.025 7.274 0.113 1.00 0.00 C ATOM 1151 O GLN A 78 -13.070 7.075 0.733 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.244 6.188 -2.130 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.711 6.536 -1.867 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.565 6.150 -3.069 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.990 5.705 -4.153 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.789 6.258 -3.019 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.466 4.493 -0.154 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.420 6.439 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.813 6.899 -2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.172 5.202 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.063 6.013 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.810 7.603 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.236 6.606 -2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.357 6.000 -3.826 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.323 8.389 0.230 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.760 9.451 1.112 1.00 0.00 C ATOM 1167 C ILE A 79 -12.474 10.534 0.330 1.00 0.00 C ATOM 1168 O ILE A 79 -11.905 11.160 -0.565 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.554 10.040 1.838 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.807 8.908 2.541 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.025 11.069 2.869 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.549 9.448 3.215 1.00 0.00 C ATOM 0 H ILE A 79 -10.455 8.579 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.457 9.038 1.841 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.894 10.533 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.454 8.441 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.539 8.136 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.161 11.488 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.568 11.868 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.681 10.585 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.024 8.633 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.897 9.894 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.826 10.204 3.950 1.00 0.00 H new ATOM 1184 N SER A 80 -13.730 10.743 0.682 1.00 0.00 N ATOM 1185 CA SER A 80 -14.544 11.746 0.027 1.00 0.00 C ATOM 1186 C SER A 80 -14.269 13.117 0.629 1.00 0.00 C ATOM 1187 O SER A 80 -13.594 13.236 1.652 1.00 0.00 O ATOM 1188 CB SER A 80 -16.019 11.389 0.181 1.00 0.00 C ATOM 1189 OG SER A 80 -16.458 11.758 1.478 1.00 0.00 O ATOM 0 H SER A 80 -14.208 10.228 1.421 1.00 0.00 H new ATOM 0 HA SER A 80 -14.293 11.775 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.611 11.904 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.164 10.320 0.026 1.00 0.00 H new ATOM 0 HG SER A 80 -17.420 11.590 1.558 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.786 14.149 -0.017 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.584 15.514 0.446 1.00 0.00 C ATOM 1197 C GLU A 81 -15.140 15.715 1.857 1.00 0.00 C ATOM 1198 O GLU A 81 -14.767 16.666 2.545 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.255 16.488 -0.519 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.539 16.430 -1.870 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.156 17.438 -2.834 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.201 17.975 -2.509 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.573 17.656 -3.884 1.00 0.00 O ATOM 0 H GLU A 81 -15.349 14.069 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.511 15.706 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.307 16.232 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.218 17.501 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.478 16.644 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.612 15.425 -2.286 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.033 14.828 2.288 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.613 14.955 3.622 1.00 0.00 C ATOM 1212 C ASP A 82 -15.824 14.140 4.646 1.00 0.00 C ATOM 1213 O ASP A 82 -16.144 14.153 5.834 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.069 14.490 3.609 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.130 12.990 3.358 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.097 12.353 3.471 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.208 12.501 3.061 1.00 0.00 O ATOM 0 H ASP A 82 -16.365 14.030 1.747 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.569 16.006 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.545 14.728 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.623 15.020 2.834 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.789 13.442 4.185 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.962 12.643 5.085 1.00 0.00 C ATOM 1224 C GLY A 83 -14.520 11.234 5.272 1.00 0.00 C ATOM 1225 O GLY A 83 -14.083 10.499 6.159 1.00 0.00 O ATOM 0 H GLY A 83 -14.505 13.413 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.948 12.582 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.896 13.139 6.053 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.478 10.859 4.436 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.073 9.528 4.527 1.00 0.00 C ATOM 1231 C GLU A 84 -15.216 8.508 3.782 1.00 0.00 C ATOM 1232 O GLU A 84 -14.709 8.787 2.696 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.489 9.542 3.949 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.422 10.308 4.890 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.616 9.527 6.185 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.338 8.339 6.185 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.039 10.129 7.158 1.00 0.00 O ATOM 0 H GLU A 84 -15.858 11.448 3.695 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.122 9.243 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.486 10.009 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.848 8.521 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.004 11.291 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.385 10.471 4.407 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.063 7.323 4.371 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.268 6.266 3.750 1.00 0.00 C ATOM 1246 C GLN A 85 -15.159 5.122 3.278 1.00 0.00 C ATOM 1247 O GLN A 85 -16.097 4.727 3.969 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.240 5.725 4.747 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.080 6.709 4.880 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.145 6.270 6.003 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.948 4.996 6.219 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -10.574 7.110 6.702 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.475 7.072 5.270 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.755 6.693 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.709 5.569 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.870 4.756 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.531 6.765 3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.463 7.709 5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.728 8.104 6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.947 6.811 7.449 1.00 0.00 H new ATOM 1261 N SER A 86 -14.850 4.587 2.102 1.00 0.00 N ATOM 1262 CA SER A 86 -15.619 3.478 1.553 1.00 0.00 C ATOM 1263 C SER A 86 -14.678 2.436 0.961 1.00 0.00 C ATOM 1264 O SER A 86 -13.722 2.779 0.267 1.00 0.00 O ATOM 1265 CB SER A 86 -16.571 3.986 0.472 1.00 0.00 C ATOM 1266 OG SER A 86 -17.548 2.989 0.199 1.00 0.00 O ATOM 0 H SER A 86 -14.078 4.901 1.514 1.00 0.00 H new ATOM 0 HA SER A 86 -16.200 3.022 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.055 4.906 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.015 4.225 -0.435 1.00 0.00 H new ATOM 0 HG SER A 86 -18.161 3.313 -0.493 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.948 1.166 1.239 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.106 0.097 0.719 1.00 0.00 C ATOM 1274 C LEU A 87 -14.345 -0.095 -0.773 1.00 0.00 C ATOM 1275 O LEU A 87 -15.453 -0.422 -1.197 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.399 -1.214 1.454 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.422 -2.291 0.975 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.016 -1.979 1.494 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -13.868 -3.657 1.504 1.00 0.00 C ATOM 0 H LEU A 87 -15.732 0.855 1.813 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.065 0.376 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.301 -1.071 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.426 -1.528 1.266 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.410 -2.308 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.323 -2.747 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.696 -1.008 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.026 -1.960 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.173 -4.424 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.882 -3.638 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.868 -3.882 1.132 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.300 0.109 -1.565 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.413 -0.047 -3.008 1.00 0.00 C ATOM 1293 C ILE A 88 -12.666 -1.290 -3.473 1.00 0.00 C ATOM 1294 O ILE A 88 -12.952 -1.834 -4.540 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.844 1.184 -3.713 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.345 1.282 -3.436 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.539 2.445 -3.192 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.748 2.398 -4.290 1.00 0.00 C ATOM 0 H ILE A 88 -12.373 0.380 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.468 -0.155 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.013 1.094 -4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.171 1.484 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.858 0.334 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.131 3.320 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.609 2.379 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.373 2.535 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.678 2.472 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.911 2.176 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.228 3.344 -4.040 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.706 -1.738 -2.671 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.933 -2.921 -3.026 1.00 0.00 C ATOM 1312 C LEU A 89 -10.367 -3.600 -1.784 1.00 0.00 C ATOM 1313 O LEU A 89 -9.616 -2.994 -1.018 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.781 -2.539 -3.960 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.091 -3.813 -4.461 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.932 -4.452 -5.569 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.706 -3.465 -5.010 1.00 0.00 C ATOM 0 H LEU A 89 -11.447 -1.307 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.602 -3.616 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.158 -1.960 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.065 -1.907 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.988 -4.515 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.439 -5.357 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.918 -4.705 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.039 -3.750 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.217 -4.372 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.808 -2.760 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.104 -3.014 -4.221 1.00 0.00 H new ATOM 1329 N SER A 90 -10.716 -4.871 -1.607 1.00 0.00 N ATOM 1330 CA SER A 90 -10.225 -5.644 -0.473 1.00 0.00 C ATOM 1331 C SER A 90 -9.674 -6.977 -0.971 1.00 0.00 C ATOM 1332 O SER A 90 -10.386 -7.747 -1.616 1.00 0.00 O ATOM 1333 CB SER A 90 -11.356 -5.896 0.523 1.00 0.00 C ATOM 1334 OG SER A 90 -10.843 -6.594 1.651 1.00 0.00 O ATOM 0 H SER A 90 -11.335 -5.386 -2.233 1.00 0.00 H new ATOM 0 HA SER A 90 -9.435 -5.083 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.797 -4.950 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.149 -6.477 0.051 1.00 0.00 H new ATOM 0 HG SER A 90 -10.196 -6.027 2.121 1.00 0.00 H new ATOM 1340 N THR A 91 -8.405 -7.244 -0.681 1.00 0.00 N ATOM 1341 CA THR A 91 -7.787 -8.486 -1.124 1.00 0.00 C ATOM 1342 C THR A 91 -6.638 -8.861 -0.204 1.00 0.00 C ATOM 1343 O THR A 91 -6.085 -8.010 0.484 1.00 0.00 O ATOM 1344 CB THR A 91 -7.267 -8.329 -2.555 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.015 -9.614 -3.107 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.975 -7.511 -2.543 1.00 0.00 C ATOM 0 H THR A 91 -7.792 -6.626 -0.149 1.00 0.00 H new ATOM 0 HA THR A 91 -8.537 -9.277 -1.096 1.00 0.00 H new ATOM 0 HB THR A 91 -8.012 -7.814 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.683 -9.517 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.605 -7.400 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.172 -6.526 -2.119 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.226 -8.023 -1.939 1.00 0.00 H new ATOM 1354 N SER A 92 -6.274 -10.133 -0.202 1.00 0.00 N ATOM 1355 CA SER A 92 -5.179 -10.586 0.637 1.00 0.00 C ATOM 1356 C SER A 92 -4.040 -11.127 -0.220 1.00 0.00 C ATOM 1357 O SER A 92 -4.259 -11.606 -1.332 1.00 0.00 O ATOM 1358 CB SER A 92 -5.665 -11.669 1.598 1.00 0.00 C ATOM 1359 OG SER A 92 -6.105 -12.799 0.854 1.00 0.00 O ATOM 0 H SER A 92 -6.715 -10.861 -0.764 1.00 0.00 H new ATOM 0 HA SER A 92 -4.812 -9.737 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.861 -11.957 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.479 -11.286 2.213 1.00 0.00 H new ATOM 0 HG SER A 92 -6.416 -13.495 1.470 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.826 -11.046 0.309 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.655 -11.532 -0.408 1.00 0.00 C ATOM 1367 C GLN A 93 -0.713 -12.259 0.535 1.00 0.00 C ATOM 1368 O GLN A 93 -0.721 -12.031 1.745 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.893 -10.371 -1.050 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.713 -9.750 -2.181 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.853 -8.731 -2.923 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.367 -8.501 -2.512 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.301 -8.130 -3.900 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.627 -10.650 1.228 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.006 -12.216 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.670 -9.615 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.062 -10.726 -1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.053 -10.525 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.604 -9.268 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.253 -8.312 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.720 -7.451 -4.391 1.00 0.00 H new ATOM 1382 N THR A 94 0.113 -13.119 -0.036 1.00 0.00 N ATOM 1383 CA THR A 94 1.083 -13.863 0.745 1.00 0.00 C ATOM 1384 C THR A 94 2.485 -13.501 0.267 1.00 0.00 C ATOM 1385 O THR A 94 2.860 -13.815 -0.863 1.00 0.00 O ATOM 1386 CB THR A 94 0.837 -15.366 0.579 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.523 -15.582 0.229 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.143 -16.093 1.889 1.00 0.00 C ATOM 0 H THR A 94 0.131 -13.318 -1.036 1.00 0.00 H new ATOM 0 HA THR A 94 0.984 -13.609 1.800 1.00 0.00 H new ATOM 0 HB THR A 94 1.488 -15.752 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.684 -16.543 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.966 -17.161 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.185 -15.928 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.496 -15.709 2.678 1.00 0.00 H new ATOM 1396 N THR A 95 3.251 -12.829 1.118 1.00 0.00 N ATOM 1397 CA THR A 95 4.601 -12.426 0.745 1.00 0.00 C ATOM 1398 C THR A 95 5.431 -13.643 0.346 1.00 0.00 C ATOM 1399 O THR A 95 6.243 -14.069 1.151 1.00 0.00 O ATOM 1400 CB THR A 95 5.283 -11.700 1.907 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.270 -12.533 3.056 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.550 -10.392 2.210 1.00 0.00 C ATOM 1403 OXT THR A 95 5.241 -14.130 -0.756 1.00 0.00 O ATOM 0 H THR A 95 2.966 -12.555 2.058 1.00 0.00 H new ATOM 0 HA THR A 95 4.530 -11.749 -0.106 1.00 0.00 H new ATOM 0 HB THR A 95 6.313 -11.473 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.606 -12.031 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.042 -9.882 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.568 -9.752 1.328 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.516 -10.608 2.480 1.00 0.00 H new