USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=24 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= 0.456 K(o=1.3,f=-5.7!) USER MOD Set 1.2: A 90 SER OG : rot 92:sc= 0.852 USER MOD Set 2.1: A 71 LYS NZ :NH3+ 126:sc= -0.184 (180deg=-0.814) USER MOD Set 2.2: A 94 THR OG1 : rot 180:sc= -0.0159 USER MOD Set 3.1: A 40 TYR OH : rot 155:sc= 1.11 USER MOD Set 3.2: A 50 GLN : amide:sc= -4.47! C(o=-3.4!,f=-10!) USER MOD Set 4.1: A 21 SER OG : rot 108:sc= 0.244! USER MOD Set 4.2: A 62 ASN :FLIP amide:sc= -0.734! C(o=-9.8!,f=-0.49!) USER MOD Single : A 20 SER OG : rot 79:sc= -0.901! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 34 SER OG : rot -128:sc= -3.82! USER MOD Single : A 43 SER OG : rot 120:sc= -1.33 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -99:sc= -0.625! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0995 K(o=-0.099,f=-0.74) USER MOD Single : A 80 SER OG : rot 165:sc= -4.49! USER MOD Single : A 85 GLN : amide:sc= -0.326 X(o=-0.33,f=0) 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 -179:sc=-0.00513 USER MOD Single : A 93 GLN :FLIP amide:sc= -6.33! C(o=-7.4!,f=-6.3!) USER MOD Single : A 95 THR OG1 : rot -167:sc= 0.233 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.547 -7.737 0.581 1.00 0.00 N ATOM 264 CA SER A 20 8.304 -8.499 0.507 1.00 0.00 C ATOM 265 C SER A 20 7.116 -7.563 0.289 1.00 0.00 C ATOM 266 O SER A 20 5.986 -7.876 0.664 1.00 0.00 O ATOM 267 CB SER A 20 8.109 -9.286 1.802 1.00 0.00 C ATOM 268 OG SER A 20 8.797 -8.629 2.859 1.00 0.00 O ATOM 0 HA SER A 20 8.364 -9.189 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.048 -9.365 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.485 -10.302 1.684 1.00 0.00 H new ATOM 0 HG SER A 20 8.268 -7.865 3.169 1.00 0.00 H new ATOM 274 N SER A 21 7.391 -6.408 -0.307 1.00 0.00 N ATOM 275 CA SER A 21 6.356 -5.409 -0.563 1.00 0.00 C ATOM 276 C SER A 21 5.286 -5.922 -1.522 1.00 0.00 C ATOM 277 O SER A 21 5.301 -7.078 -1.943 1.00 0.00 O ATOM 278 CB SER A 21 6.986 -4.164 -1.184 1.00 0.00 C ATOM 279 OG SER A 21 6.433 -3.972 -2.475 1.00 0.00 O ATOM 0 H SER A 21 8.323 -6.139 -0.623 1.00 0.00 H new ATOM 0 HA SER A 21 5.889 -5.181 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.796 -3.292 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.068 -4.280 -1.250 1.00 0.00 H new ATOM 0 HG SER A 21 5.830 -3.200 -2.461 1.00 0.00 H new ATOM 285 N PHE A 22 4.377 -5.018 -1.878 1.00 0.00 N ATOM 286 CA PHE A 22 3.300 -5.323 -2.816 1.00 0.00 C ATOM 287 C PHE A 22 2.912 -4.077 -3.590 1.00 0.00 C ATOM 288 O PHE A 22 2.934 -2.970 -3.056 1.00 0.00 O ATOM 289 CB PHE A 22 2.021 -5.781 -2.108 1.00 0.00 C ATOM 290 CG PHE A 22 2.166 -7.102 -1.397 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.865 -8.176 -1.969 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.548 -7.253 -0.156 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.938 -9.397 -1.289 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.627 -8.469 0.524 1.00 0.00 C ATOM 295 CZ PHE A 22 2.321 -9.542 -0.041 1.00 0.00 C ATOM 0 H PHE A 22 4.366 -4.060 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 22 3.683 -6.115 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.722 -5.020 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.218 -5.858 -2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.345 -8.061 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.007 -6.426 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.471 -10.228 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.152 -8.581 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.381 -10.483 0.485 1.00 0.00 H new ATOM 305 N VAL A 23 2.488 -4.273 -4.825 1.00 0.00 N ATOM 306 CA VAL A 23 2.017 -3.168 -5.639 1.00 0.00 C ATOM 307 C VAL A 23 0.562 -3.439 -5.990 1.00 0.00 C ATOM 308 O VAL A 23 0.263 -4.291 -6.826 1.00 0.00 O ATOM 309 CB VAL A 23 2.851 -3.028 -6.910 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.141 -2.073 -7.870 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.225 -2.457 -6.554 1.00 0.00 C ATOM 0 H VAL A 23 2.460 -5.183 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 23 2.111 -2.234 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 23 2.972 -4.004 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.731 -1.968 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.157 -2.472 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.028 -1.098 -7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.823 -2.356 -7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.103 -1.479 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.729 -3.129 -5.859 1.00 0.00 H new ATOM 321 N VAL A 24 -0.339 -2.737 -5.319 1.00 0.00 N ATOM 322 CA VAL A 24 -1.763 -2.941 -5.538 1.00 0.00 C ATOM 323 C VAL A 24 -2.404 -1.726 -6.195 1.00 0.00 C ATOM 324 O VAL A 24 -2.153 -0.585 -5.803 1.00 0.00 O ATOM 325 CB VAL A 24 -2.442 -3.232 -4.196 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.961 -3.279 -4.391 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.953 -4.585 -3.660 1.00 0.00 C ATOM 0 H VAL A 24 -0.112 -2.026 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.893 -3.788 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.192 -2.446 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.444 -3.486 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.309 -2.319 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.212 -4.065 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.435 -4.794 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.204 -5.371 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.872 -4.552 -3.521 1.00 0.00 H new ATOM 337 N SER A 25 -3.244 -1.981 -7.197 1.00 0.00 N ATOM 338 CA SER A 25 -3.927 -0.906 -7.901 1.00 0.00 C ATOM 339 C SER A 25 -5.431 -1.106 -7.836 1.00 0.00 C ATOM 340 O SER A 25 -5.915 -2.233 -7.741 1.00 0.00 O ATOM 341 CB SER A 25 -3.477 -0.855 -9.361 1.00 0.00 C ATOM 342 OG SER A 25 -3.932 -2.023 -10.032 1.00 0.00 O ATOM 0 H SER A 25 -3.465 -2.918 -7.535 1.00 0.00 H new ATOM 0 HA SER A 25 -3.672 0.037 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.876 0.036 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.390 -0.789 -9.417 1.00 0.00 H new ATOM 0 HG SER A 25 -3.647 -1.994 -10.969 1.00 0.00 H new ATOM 348 N TRP A 26 -6.167 -0.005 -7.887 1.00 0.00 N ATOM 349 CA TRP A 26 -7.617 -0.072 -7.832 1.00 0.00 C ATOM 350 C TRP A 26 -8.230 0.987 -8.736 1.00 0.00 C ATOM 351 O TRP A 26 -7.516 1.753 -9.384 1.00 0.00 O ATOM 352 CB TRP A 26 -8.093 0.135 -6.395 1.00 0.00 C ATOM 353 CG TRP A 26 -7.500 1.397 -5.853 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.095 2.611 -5.883 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.209 1.590 -5.201 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.253 3.537 -5.291 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.080 2.956 -4.856 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.150 0.721 -4.881 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.941 3.444 -4.213 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.001 1.209 -4.234 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.897 2.568 -3.901 1.00 0.00 C ATOM 0 H TRP A 26 -5.786 0.938 -7.966 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.935 -1.056 -8.178 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.181 0.189 -6.365 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.799 -0.713 -5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.068 2.824 -6.301 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.473 4.528 -5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.220 -0.327 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.867 4.491 -3.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.194 0.534 -3.992 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.012 2.937 -3.404 1.00 0.00 H new ATOM 372 N VAL A 27 -9.555 1.028 -8.775 1.00 0.00 N ATOM 373 CA VAL A 27 -10.248 2.002 -9.602 1.00 0.00 C ATOM 374 C VAL A 27 -11.080 2.935 -8.732 1.00 0.00 C ATOM 375 O VAL A 27 -11.854 2.484 -7.888 1.00 0.00 O ATOM 376 CB VAL A 27 -11.158 1.288 -10.603 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.788 2.315 -11.547 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.334 0.288 -11.416 1.00 0.00 C ATOM 0 H VAL A 27 -10.166 0.403 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.506 2.588 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.945 0.760 -10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.436 1.805 -12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.375 3.028 -10.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.002 2.844 -12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.981 -0.222 -12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.547 0.817 -11.953 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.886 -0.445 -10.745 1.00 0.00 H new ATOM 388 N SER A 28 -10.914 4.233 -8.939 1.00 0.00 N ATOM 389 CA SER A 28 -11.661 5.214 -8.158 1.00 0.00 C ATOM 390 C SER A 28 -13.150 4.876 -8.171 1.00 0.00 C ATOM 391 O SER A 28 -13.723 4.590 -9.223 1.00 0.00 O ATOM 392 CB SER A 28 -11.454 6.614 -8.735 1.00 0.00 C ATOM 393 OG SER A 28 -12.537 6.929 -9.600 1.00 0.00 O ATOM 0 H SER A 28 -10.278 4.630 -9.631 1.00 0.00 H new ATOM 0 HA SER A 28 -11.296 5.189 -7.131 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.391 7.346 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.512 6.659 -9.281 1.00 0.00 H new ATOM 0 HG SER A 28 -12.409 7.827 -9.971 1.00 0.00 H new ATOM 446 N VAL A 33 -13.760 11.716 -4.460 1.00 0.00 N ATOM 447 CA VAL A 33 -12.716 11.288 -3.544 1.00 0.00 C ATOM 448 C VAL A 33 -11.652 12.367 -3.410 1.00 0.00 C ATOM 449 O VAL A 33 -11.208 12.943 -4.404 1.00 0.00 O ATOM 450 CB VAL A 33 -12.073 9.989 -4.044 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.768 10.096 -5.542 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.770 9.741 -3.280 1.00 0.00 C ATOM 0 HA VAL A 33 -13.166 11.112 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.764 9.162 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.312 9.168 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.694 10.271 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.081 10.925 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.311 8.818 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.086 10.573 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.984 9.655 -2.215 1.00 0.00 H new ATOM 462 N SER A 34 -11.250 12.632 -2.174 1.00 0.00 N ATOM 463 CA SER A 34 -10.233 13.641 -1.909 1.00 0.00 C ATOM 464 C SER A 34 -8.868 12.979 -1.802 1.00 0.00 C ATOM 465 O SER A 34 -7.833 13.643 -1.864 1.00 0.00 O ATOM 466 CB SER A 34 -10.550 14.367 -0.604 1.00 0.00 C ATOM 467 OG SER A 34 -11.792 15.045 -0.733 1.00 0.00 O ATOM 0 H SER A 34 -11.611 12.165 -1.342 1.00 0.00 H new ATOM 0 HA SER A 34 -10.224 14.360 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.595 13.655 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.758 15.077 -0.368 1.00 0.00 H new ATOM 0 HG SER A 34 -11.680 15.985 -0.478 1.00 0.00 H new ATOM 473 N GLY A 35 -8.885 11.663 -1.642 1.00 0.00 N ATOM 474 CA GLY A 35 -7.659 10.892 -1.526 1.00 0.00 C ATOM 475 C GLY A 35 -7.983 9.426 -1.275 1.00 0.00 C ATOM 476 O GLY A 35 -9.149 9.047 -1.183 1.00 0.00 O ATOM 0 H GLY A 35 -9.739 11.107 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.071 10.991 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.051 11.283 -0.710 1.00 0.00 H new ATOM 480 N PHE A 36 -6.946 8.613 -1.157 1.00 0.00 N ATOM 481 CA PHE A 36 -7.131 7.192 -0.904 1.00 0.00 C ATOM 482 C PHE A 36 -6.346 6.761 0.322 1.00 0.00 C ATOM 483 O PHE A 36 -5.332 7.358 0.664 1.00 0.00 O ATOM 484 CB PHE A 36 -6.674 6.375 -2.116 1.00 0.00 C ATOM 485 CG PHE A 36 -7.660 6.560 -3.238 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.765 5.706 -3.344 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.478 7.587 -4.170 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.687 5.880 -4.381 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.399 7.761 -5.208 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.505 6.908 -5.314 1.00 0.00 C ATOM 0 H PHE A 36 -5.973 8.909 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.191 7.013 -0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.681 6.695 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.600 5.320 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.905 4.913 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.626 8.246 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.539 5.222 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.257 8.553 -5.928 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.217 7.043 -6.115 1.00 0.00 H new ATOM 500 N ARG A 37 -6.822 5.719 0.978 1.00 0.00 N ATOM 501 CA ARG A 37 -6.149 5.213 2.159 1.00 0.00 C ATOM 502 C ARG A 37 -6.037 3.703 2.082 1.00 0.00 C ATOM 503 O ARG A 37 -7.029 3.004 1.872 1.00 0.00 O ATOM 504 CB ARG A 37 -6.916 5.610 3.419 1.00 0.00 C ATOM 505 CG ARG A 37 -6.121 5.179 4.653 1.00 0.00 C ATOM 506 CD ARG A 37 -6.809 5.701 5.913 1.00 0.00 C ATOM 507 NE ARG A 37 -6.085 5.267 7.102 1.00 0.00 N ATOM 508 CZ ARG A 37 -6.134 5.966 8.231 1.00 0.00 C ATOM 509 NH1 ARG A 37 -6.838 7.065 8.291 1.00 0.00 N ATOM 510 NH2 ARG A 37 -5.480 5.554 9.283 1.00 0.00 N ATOM 0 H ARG A 37 -7.666 5.210 0.715 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.150 5.647 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.078 6.688 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.899 5.140 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.048 4.092 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.103 5.565 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.857 6.790 5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.836 5.338 5.952 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.531 4.411 7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.351 7.387 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.875 7.600 9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.931 4.695 9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.518 6.091 10.150 1.00 0.00 H new ATOM 524 N VAL A 38 -4.826 3.204 2.258 1.00 0.00 N ATOM 525 CA VAL A 38 -4.599 1.769 2.209 1.00 0.00 C ATOM 526 C VAL A 38 -4.309 1.239 3.603 1.00 0.00 C ATOM 527 O VAL A 38 -3.505 1.806 4.342 1.00 0.00 O ATOM 528 CB VAL A 38 -3.436 1.444 1.271 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.268 -0.073 1.174 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.729 2.014 -0.118 1.00 0.00 C ATOM 0 H VAL A 38 -3.992 3.764 2.434 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.499 1.287 1.827 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.519 1.887 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.439 -0.305 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.061 -0.480 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.184 -0.516 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.901 1.783 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.645 1.570 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.850 3.095 -0.050 1.00 0.00 H new ATOM 540 N GLU A 39 -4.974 0.152 3.957 1.00 0.00 N ATOM 541 CA GLU A 39 -4.791 -0.447 5.267 1.00 0.00 C ATOM 542 C GLU A 39 -4.391 -1.905 5.115 1.00 0.00 C ATOM 543 O GLU A 39 -5.080 -2.676 4.450 1.00 0.00 O ATOM 544 CB GLU A 39 -6.100 -0.350 6.055 1.00 0.00 C ATOM 545 CG GLU A 39 -5.841 -0.621 7.539 1.00 0.00 C ATOM 546 CD GLU A 39 -6.345 -2.011 7.930 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.774 -2.741 7.051 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.292 -2.324 9.108 1.00 0.00 O ATOM 0 H GLU A 39 -5.643 -0.332 3.358 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.003 0.084 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.537 0.641 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.822 -1.069 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.774 -0.544 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.340 0.136 8.145 1.00 0.00 H new ATOM 555 N TYR A 40 -3.277 -2.284 5.730 1.00 0.00 N ATOM 556 CA TYR A 40 -2.827 -3.662 5.633 1.00 0.00 C ATOM 557 C TYR A 40 -2.246 -4.164 6.949 1.00 0.00 C ATOM 558 O TYR A 40 -1.534 -3.445 7.650 1.00 0.00 O ATOM 559 CB TYR A 40 -1.799 -3.803 4.507 1.00 0.00 C ATOM 560 CG TYR A 40 -0.567 -2.984 4.813 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.557 -1.611 4.539 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.568 -3.597 5.356 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.586 -0.851 4.811 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.713 -2.836 5.627 1.00 0.00 C ATOM 565 CZ TYR A 40 1.721 -1.463 5.353 1.00 0.00 C ATOM 566 OH TYR A 40 2.846 -0.710 5.622 1.00 0.00 O ATOM 0 H TYR A 40 -2.683 -1.671 6.288 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.696 -4.279 5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.526 -4.851 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.236 -3.475 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.432 -1.138 4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.561 -4.656 5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.592 0.209 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.589 -3.308 6.047 1.00 0.00 H new ATOM 0 HH TYR A 40 3.372 -1.147 6.325 1.00 0.00 H new ATOM 576 N GLU A 41 -2.561 -5.416 7.261 1.00 0.00 N ATOM 577 CA GLU A 41 -2.082 -6.055 8.479 1.00 0.00 C ATOM 578 C GLU A 41 -1.925 -7.553 8.237 1.00 0.00 C ATOM 579 O GLU A 41 -2.363 -8.067 7.207 1.00 0.00 O ATOM 580 CB GLU A 41 -3.071 -5.817 9.622 1.00 0.00 C ATOM 581 CG GLU A 41 -4.296 -6.712 9.432 1.00 0.00 C ATOM 582 CD GLU A 41 -5.332 -6.416 10.511 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.088 -5.526 11.310 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.350 -7.087 10.527 1.00 0.00 O ATOM 0 H GLU A 41 -3.151 -6.012 6.681 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.118 -5.627 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.596 -6.032 10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.373 -4.770 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.729 -6.545 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.001 -7.760 9.478 1.00 0.00 H new ATOM 591 N LEU A 42 -1.305 -8.255 9.178 1.00 0.00 N ATOM 592 CA LEU A 42 -1.115 -9.694 9.023 1.00 0.00 C ATOM 593 C LEU A 42 -2.418 -10.447 9.245 1.00 0.00 C ATOM 594 O LEU A 42 -3.078 -10.287 10.272 1.00 0.00 O ATOM 595 CB LEU A 42 -0.066 -10.202 10.013 1.00 0.00 C ATOM 596 CG LEU A 42 1.288 -9.566 9.703 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.323 -10.059 10.717 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.727 -9.972 8.296 1.00 0.00 C ATOM 0 H LEU A 42 -0.931 -7.862 10.042 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.774 -9.874 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.367 -9.960 11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.009 -11.288 9.952 1.00 0.00 H new ATOM 0 HG LEU A 42 1.205 -8.481 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.290 -9.607 10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.010 -9.778 11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.407 -11.144 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.693 -9.520 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.813 -11.057 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.989 -9.629 7.571 1.00 0.00 H new ATOM 610 N SER A 43 -2.778 -11.277 8.272 1.00 0.00 N ATOM 611 CA SER A 43 -4.002 -12.065 8.364 1.00 0.00 C ATOM 612 C SER A 43 -3.934 -13.015 9.555 1.00 0.00 C ATOM 613 O SER A 43 -4.946 -13.300 10.198 1.00 0.00 O ATOM 614 CB SER A 43 -4.184 -12.877 7.084 1.00 0.00 C ATOM 615 OG SER A 43 -3.344 -14.022 7.135 1.00 0.00 O ATOM 0 H SER A 43 -2.243 -11.421 7.415 1.00 0.00 H new ATOM 0 HA SER A 43 -4.845 -11.387 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.226 -13.180 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.937 -12.268 6.214 1.00 0.00 H new ATOM 0 HG SER A 43 -3.892 -14.833 7.080 1.00 0.00 H new ATOM 621 N GLU A 44 -2.731 -13.502 9.839 1.00 0.00 N ATOM 622 CA GLU A 44 -2.522 -14.424 10.950 1.00 0.00 C ATOM 623 C GLU A 44 -2.297 -13.660 12.246 1.00 0.00 C ATOM 624 O GLU A 44 -3.181 -13.577 13.098 1.00 0.00 O ATOM 625 CB GLU A 44 -1.298 -15.294 10.660 1.00 0.00 C ATOM 626 CG GLU A 44 -1.589 -16.200 9.463 1.00 0.00 C ATOM 627 CD GLU A 44 -0.323 -16.945 9.055 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.752 -16.450 9.351 1.00 0.00 O ATOM 629 OE2 GLU A 44 -0.446 -18.000 8.456 1.00 0.00 O ATOM 0 H GLU A 44 -1.886 -13.274 9.316 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.409 -15.047 11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.433 -14.665 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.051 -15.896 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.374 -16.912 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.957 -15.605 8.627 1.00 0.00 H new ATOM 685 N PRO A 49 -1.992 -2.489 12.643 1.00 0.00 N ATOM 686 CA PRO A 49 -2.283 -2.175 11.217 1.00 0.00 C ATOM 687 C PRO A 49 -1.481 -0.977 10.726 1.00 0.00 C ATOM 688 O PRO A 49 -1.058 -0.132 11.514 1.00 0.00 O ATOM 689 CB PRO A 49 -3.779 -1.871 11.210 1.00 0.00 C ATOM 690 CG PRO A 49 -4.088 -1.404 12.591 1.00 0.00 C ATOM 691 CD PRO A 49 -3.118 -2.134 13.521 1.00 0.00 C ATOM 0 HA PRO A 49 -2.011 -2.993 10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.022 -1.107 10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.360 -2.757 10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.965 -0.324 12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.122 -1.628 12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.797 -1.497 14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.576 -3.019 13.962 1.00 0.00 H new ATOM 699 N GLN A 50 -1.276 -0.913 9.419 1.00 0.00 N ATOM 700 CA GLN A 50 -0.523 0.181 8.826 1.00 0.00 C ATOM 701 C GLN A 50 -1.403 0.935 7.833 1.00 0.00 C ATOM 702 O GLN A 50 -2.190 0.323 7.111 1.00 0.00 O ATOM 703 CB GLN A 50 0.701 -0.394 8.119 1.00 0.00 C ATOM 704 CG GLN A 50 1.511 -1.222 9.120 1.00 0.00 C ATOM 705 CD GLN A 50 2.345 -2.270 8.390 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.307 -1.932 7.701 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.026 -3.532 8.502 1.00 0.00 N ATOM 0 H GLN A 50 -1.619 -1.603 8.751 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.202 0.877 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.393 -1.016 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.314 0.411 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.163 -0.568 9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.839 -1.710 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.228 -3.807 9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.575 -4.242 8.017 1.00 0.00 H new ATOM 716 N TYR A 51 -1.284 2.261 7.807 1.00 0.00 N ATOM 717 CA TYR A 51 -2.104 3.058 6.900 1.00 0.00 C ATOM 718 C TYR A 51 -1.245 3.893 5.953 1.00 0.00 C ATOM 719 O TYR A 51 -0.231 4.461 6.355 1.00 0.00 O ATOM 720 CB TYR A 51 -2.991 4.020 7.694 1.00 0.00 C ATOM 721 CG TYR A 51 -3.540 3.349 8.929 1.00 0.00 C ATOM 722 CD1 TYR A 51 -4.221 2.130 8.829 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.378 3.959 10.179 1.00 0.00 C ATOM 724 CE1 TYR A 51 -4.736 1.523 9.982 1.00 0.00 C ATOM 725 CE2 TYR A 51 -3.896 3.352 11.328 1.00 0.00 C ATOM 726 CZ TYR A 51 -4.575 2.134 11.230 1.00 0.00 C ATOM 727 OH TYR A 51 -5.088 1.537 12.362 1.00 0.00 O ATOM 0 H TYR A 51 -0.642 2.797 8.391 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.709 2.359 6.322 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.416 4.901 7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.813 4.365 7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.349 1.659 7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.852 4.899 10.256 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.259 0.581 9.907 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.771 3.825 12.291 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.887 2.092 13.144 1.00 0.00 H new ATOM 737 N LEU A 52 -1.690 3.994 4.705 1.00 0.00 N ATOM 738 CA LEU A 52 -0.993 4.800 3.709 1.00 0.00 C ATOM 739 C LEU A 52 -1.997 5.701 3.002 1.00 0.00 C ATOM 740 O LEU A 52 -2.985 5.225 2.444 1.00 0.00 O ATOM 741 CB LEU A 52 -0.292 3.908 2.683 1.00 0.00 C ATOM 742 CG LEU A 52 0.609 2.911 3.407 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.166 1.904 2.400 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.772 3.656 4.073 1.00 0.00 C ATOM 0 H LEU A 52 -2.529 3.528 4.359 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.238 5.405 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.030 3.377 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.298 4.517 1.998 1.00 0.00 H new ATOM 0 HG LEU A 52 0.029 2.388 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.810 1.192 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.342 1.371 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.744 2.431 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.414 2.942 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.351 4.181 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.379 4.376 4.791 1.00 0.00 H new ATOM 756 N ASP A 53 -1.751 7.002 3.039 1.00 0.00 N ATOM 757 CA ASP A 53 -2.660 7.952 2.404 1.00 0.00 C ATOM 758 C ASP A 53 -2.121 8.431 1.057 1.00 0.00 C ATOM 759 O ASP A 53 -0.937 8.738 0.918 1.00 0.00 O ATOM 760 CB ASP A 53 -2.897 9.146 3.324 1.00 0.00 C ATOM 761 CG ASP A 53 -3.623 8.693 4.588 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.057 7.553 4.624 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.735 9.494 5.502 1.00 0.00 O ATOM 0 H ASP A 53 -0.941 7.423 3.495 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.605 7.439 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.945 9.608 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.487 9.903 2.807 1.00 0.00 H new ATOM 768 N LEU A 54 -3.009 8.472 0.068 1.00 0.00 N ATOM 769 CA LEU A 54 -2.647 8.887 -1.283 1.00 0.00 C ATOM 770 C LEU A 54 -3.672 9.897 -1.809 1.00 0.00 C ATOM 771 O LEU A 54 -4.794 9.955 -1.310 1.00 0.00 O ATOM 772 CB LEU A 54 -2.640 7.653 -2.190 1.00 0.00 C ATOM 773 CG LEU A 54 -2.076 6.453 -1.428 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.419 5.173 -2.185 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.559 6.595 -1.313 1.00 0.00 C ATOM 0 H LEU A 54 -3.991 8.221 0.179 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.661 9.352 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.652 7.436 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.039 7.847 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.510 6.411 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.019 4.314 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.502 5.078 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.981 5.212 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.154 5.741 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.120 6.632 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.319 7.513 -0.776 1.00 0.00 H new ATOM 787 N PRO A 55 -3.322 10.683 -2.802 1.00 0.00 N ATOM 788 CA PRO A 55 -4.257 11.691 -3.383 1.00 0.00 C ATOM 789 C PRO A 55 -5.367 11.051 -4.219 1.00 0.00 C ATOM 790 O PRO A 55 -5.250 9.909 -4.662 1.00 0.00 O ATOM 791 CB PRO A 55 -3.361 12.580 -4.248 1.00 0.00 C ATOM 792 CG PRO A 55 -2.151 11.765 -4.566 1.00 0.00 C ATOM 793 CD PRO A 55 -2.012 10.702 -3.472 1.00 0.00 C ATOM 0 HA PRO A 55 -4.782 12.244 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.877 12.884 -5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.088 13.492 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.251 11.297 -5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.263 12.396 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.769 9.727 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.214 10.954 -2.774 1.00 0.00 H new ATOM 801 N SER A 56 -6.445 11.805 -4.422 1.00 0.00 N ATOM 802 CA SER A 56 -7.583 11.318 -5.200 1.00 0.00 C ATOM 803 C SER A 56 -7.164 11.011 -6.633 1.00 0.00 C ATOM 804 O SER A 56 -7.887 10.340 -7.369 1.00 0.00 O ATOM 805 CB SER A 56 -8.703 12.358 -5.209 1.00 0.00 C ATOM 806 OG SER A 56 -8.200 13.589 -5.711 1.00 0.00 O ATOM 0 H SER A 56 -6.555 12.752 -4.060 1.00 0.00 H new ATOM 0 HA SER A 56 -7.945 10.402 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.531 12.012 -5.827 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.094 12.496 -4.201 1.00 0.00 H new ATOM 0 HG SER A 56 -8.944 14.206 -5.870 1.00 0.00 H new ATOM 812 N THR A 57 -5.998 11.512 -7.026 1.00 0.00 N ATOM 813 CA THR A 57 -5.501 11.289 -8.378 1.00 0.00 C ATOM 814 C THR A 57 -4.694 9.998 -8.449 1.00 0.00 C ATOM 815 O THR A 57 -4.199 9.625 -9.512 1.00 0.00 O ATOM 816 CB THR A 57 -4.614 12.462 -8.801 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.390 12.409 -8.080 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.323 13.782 -8.496 1.00 0.00 C ATOM 0 H THR A 57 -5.384 12.071 -6.433 1.00 0.00 H new ATOM 0 HA THR A 57 -6.355 11.208 -9.050 1.00 0.00 H new ATOM 0 HB THR A 57 -4.416 12.397 -9.871 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.819 13.158 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.688 14.615 -8.799 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.264 13.825 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.523 13.849 -7.427 1.00 0.00 H new ATOM 826 N ALA A 58 -4.557 9.323 -7.312 1.00 0.00 N ATOM 827 CA ALA A 58 -3.799 8.080 -7.263 1.00 0.00 C ATOM 828 C ALA A 58 -4.603 6.938 -7.870 1.00 0.00 C ATOM 829 O ALA A 58 -5.368 7.139 -8.810 1.00 0.00 O ATOM 830 CB ALA A 58 -3.443 7.746 -5.814 1.00 0.00 C ATOM 0 H ALA A 58 -4.958 9.613 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.884 8.209 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.876 6.815 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.841 8.551 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.357 7.633 -5.231 1.00 0.00 H new ATOM 836 N THR A 59 -4.407 5.746 -7.317 1.00 0.00 N ATOM 837 CA THR A 59 -5.095 4.536 -7.777 1.00 0.00 C ATOM 838 C THR A 59 -4.171 3.323 -7.697 1.00 0.00 C ATOM 839 O THR A 59 -4.545 2.224 -8.107 1.00 0.00 O ATOM 840 CB THR A 59 -5.595 4.689 -9.218 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.643 5.417 -9.979 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.950 5.402 -9.229 1.00 0.00 C ATOM 0 H THR A 59 -3.768 5.587 -6.538 1.00 0.00 H new ATOM 0 HA THR A 59 -5.952 4.386 -7.120 1.00 0.00 H new ATOM 0 HB THR A 59 -5.721 3.702 -9.664 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.922 6.354 -10.041 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.298 5.507 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.673 4.818 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.845 6.389 -8.779 1.00 0.00 H new ATOM 850 N SER A 60 -2.969 3.519 -7.156 1.00 0.00 N ATOM 851 CA SER A 60 -2.016 2.429 -7.021 1.00 0.00 C ATOM 852 C SER A 60 -0.923 2.816 -6.037 1.00 0.00 C ATOM 853 O SER A 60 -0.497 3.970 -5.994 1.00 0.00 O ATOM 854 CB SER A 60 -1.397 2.095 -8.378 1.00 0.00 C ATOM 855 OG SER A 60 -0.521 3.145 -8.763 1.00 0.00 O ATOM 0 H SER A 60 -2.638 4.418 -6.807 1.00 0.00 H new ATOM 0 HA SER A 60 -2.540 1.549 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.852 1.153 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.179 1.965 -9.126 1.00 0.00 H new ATOM 0 HG SER A 60 -0.120 2.934 -9.632 1.00 0.00 H new ATOM 861 N VAL A 61 -0.488 1.855 -5.232 1.00 0.00 N ATOM 862 CA VAL A 61 0.542 2.133 -4.240 1.00 0.00 C ATOM 863 C VAL A 61 1.391 0.908 -3.935 1.00 0.00 C ATOM 864 O VAL A 61 0.951 -0.230 -4.089 1.00 0.00 O ATOM 865 CB VAL A 61 -0.109 2.613 -2.949 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.780 1.430 -2.247 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.957 3.213 -2.031 1.00 0.00 C ATOM 0 H VAL A 61 -0.825 0.892 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 61 1.193 2.902 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.857 3.372 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.246 1.772 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.540 1.003 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.032 0.672 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.491 3.556 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.706 2.456 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.435 4.055 -2.531 1.00 0.00 H new ATOM 877 N ASN A 62 2.608 1.167 -3.474 1.00 0.00 N ATOM 878 CA ASN A 62 3.532 0.104 -3.110 1.00 0.00 C ATOM 879 C ASN A 62 3.632 0.024 -1.587 1.00 0.00 C ATOM 880 O ASN A 62 3.957 1.015 -0.937 1.00 0.00 O ATOM 881 CB ASN A 62 4.911 0.394 -3.708 1.00 0.00 C ATOM 882 CG ASN A 62 5.979 -0.436 -3.004 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.628 -1.488 -2.319 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 7.165 -0.119 -3.085 1.00 0.00 N flip ATOM 0 H ASN A 62 2.978 2.109 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 62 3.169 -0.847 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.908 0.166 -4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.142 1.455 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.437 0.705 -3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.876 -0.680 -2.616 1.00 0.00 H new ATOM 891 N ILE A 63 3.335 -1.147 -1.023 1.00 0.00 N ATOM 892 CA ILE A 63 3.383 -1.323 0.429 1.00 0.00 C ATOM 893 C ILE A 63 4.723 -1.919 0.870 1.00 0.00 C ATOM 894 O ILE A 63 4.977 -3.103 0.649 1.00 0.00 O ATOM 895 CB ILE A 63 2.249 -2.249 0.861 1.00 0.00 C ATOM 896 CG1 ILE A 63 0.981 -1.884 0.087 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.003 -2.086 2.362 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.244 -2.434 0.820 1.00 0.00 C ATOM 0 H ILE A 63 3.061 -1.981 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 63 3.272 -0.346 0.899 1.00 0.00 H new ATOM 0 HB ILE A 63 2.518 -3.284 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.902 -0.801 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.028 -2.294 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.193 -2.747 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.910 -2.342 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.730 -1.053 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.146 -2.173 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.166 -3.519 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.294 -2.003 1.820 1.00 0.00 H new ATOM 910 N PRO A 64 5.585 -1.131 1.476 1.00 0.00 N ATOM 911 CA PRO A 64 6.918 -1.592 1.941 1.00 0.00 C ATOM 912 C PRO A 64 6.923 -2.068 3.396 1.00 0.00 C ATOM 913 O PRO A 64 5.913 -1.996 4.098 1.00 0.00 O ATOM 914 CB PRO A 64 7.759 -0.330 1.793 1.00 0.00 C ATOM 915 CG PRO A 64 6.822 0.793 2.104 1.00 0.00 C ATOM 916 CD PRO A 64 5.403 0.297 1.792 1.00 0.00 C ATOM 0 HA PRO A 64 7.275 -2.455 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.608 -0.338 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.163 -0.240 0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.906 1.086 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.063 1.672 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.736 0.435 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.966 0.839 0.953 1.00 0.00 H new ATOM 924 N ASP A 65 8.087 -2.539 3.827 1.00 0.00 N ATOM 925 CA ASP A 65 8.282 -3.022 5.193 1.00 0.00 C ATOM 926 C ASP A 65 7.361 -4.191 5.521 1.00 0.00 C ATOM 927 O ASP A 65 6.865 -4.305 6.643 1.00 0.00 O ATOM 928 CB ASP A 65 8.044 -1.883 6.186 1.00 0.00 C ATOM 929 CG ASP A 65 9.065 -0.774 5.956 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.238 -1.089 5.844 1.00 0.00 O ATOM 931 OD2 ASP A 65 8.657 0.375 5.891 1.00 0.00 O ATOM 0 H ASP A 65 8.921 -2.598 3.243 1.00 0.00 H new ATOM 0 HA ASP A 65 9.310 -3.376 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.034 -1.490 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.123 -2.256 7.207 1.00 0.00 H new ATOM 936 N LEU A 66 7.156 -5.073 4.548 1.00 0.00 N ATOM 937 CA LEU A 66 6.318 -6.247 4.760 1.00 0.00 C ATOM 938 C LEU A 66 7.181 -7.418 5.225 1.00 0.00 C ATOM 939 O LEU A 66 8.318 -7.566 4.782 1.00 0.00 O ATOM 940 CB LEU A 66 5.581 -6.606 3.467 1.00 0.00 C ATOM 941 CG LEU A 66 4.758 -5.400 3.006 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.856 -5.805 1.837 1.00 0.00 C ATOM 943 CD2 LEU A 66 3.892 -4.903 4.166 1.00 0.00 C ATOM 0 H LEU A 66 7.555 -4.998 3.612 1.00 0.00 H new ATOM 0 HA LEU A 66 5.578 -6.027 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.295 -6.891 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.930 -7.464 3.632 1.00 0.00 H new ATOM 0 HG LEU A 66 5.432 -4.606 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.272 -4.944 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.470 -6.160 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.182 -6.600 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.305 -4.044 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.221 -5.700 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.532 -4.610 4.998 1.00 0.00 H new ATOM 955 N LEU A 67 6.647 -8.235 6.128 1.00 0.00 N ATOM 956 CA LEU A 67 7.393 -9.373 6.652 1.00 0.00 C ATOM 957 C LEU A 67 7.282 -10.585 5.720 1.00 0.00 C ATOM 958 O LEU A 67 6.206 -11.166 5.579 1.00 0.00 O ATOM 959 CB LEU A 67 6.850 -9.746 8.030 1.00 0.00 C ATOM 960 CG LEU A 67 7.270 -8.685 9.047 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.449 -8.848 10.328 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.759 -8.852 9.367 1.00 0.00 C ATOM 0 H LEU A 67 5.707 -8.131 6.510 1.00 0.00 H new ATOM 0 HA LEU A 67 8.443 -9.089 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.763 -9.823 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.229 -10.723 8.330 1.00 0.00 H new ATOM 0 HG LEU A 67 7.095 -7.693 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.750 -8.091 11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.390 -8.730 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.622 -9.839 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.062 -8.097 10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.933 -9.845 9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.343 -8.734 8.454 1.00 0.00 H new ATOM 974 N PRO A 68 8.367 -10.984 5.096 1.00 0.00 N ATOM 975 CA PRO A 68 8.374 -12.161 4.177 1.00 0.00 C ATOM 976 C PRO A 68 7.851 -13.426 4.850 1.00 0.00 C ATOM 977 O PRO A 68 8.110 -13.665 6.030 1.00 0.00 O ATOM 978 CB PRO A 68 9.849 -12.342 3.802 1.00 0.00 C ATOM 979 CG PRO A 68 10.520 -11.047 4.108 1.00 0.00 C ATOM 980 CD PRO A 68 9.695 -10.358 5.192 1.00 0.00 C ATOM 0 HA PRO A 68 7.724 -11.993 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.298 -13.156 4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.954 -12.595 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.542 -11.214 4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.580 -10.424 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.133 -10.506 6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.640 -9.282 5.026 1.00 0.00 H new ATOM 988 N GLY A 69 7.125 -14.238 4.088 1.00 0.00 N ATOM 989 CA GLY A 69 6.584 -15.485 4.616 1.00 0.00 C ATOM 990 C GLY A 69 5.369 -15.232 5.498 1.00 0.00 C ATOM 991 O GLY A 69 4.967 -16.095 6.279 1.00 0.00 O ATOM 0 H GLY A 69 6.899 -14.057 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.307 -16.142 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.352 -16.002 5.191 1.00 0.00 H new ATOM 995 N ARG A 70 4.786 -14.047 5.371 1.00 0.00 N ATOM 996 CA ARG A 70 3.615 -13.701 6.164 1.00 0.00 C ATOM 997 C ARG A 70 2.470 -13.297 5.256 1.00 0.00 C ATOM 998 O ARG A 70 2.689 -12.815 4.143 1.00 0.00 O ATOM 999 CB ARG A 70 3.939 -12.555 7.121 1.00 0.00 C ATOM 1000 CG ARG A 70 5.100 -12.952 8.024 1.00 0.00 C ATOM 1001 CD ARG A 70 4.579 -13.825 9.164 1.00 0.00 C ATOM 1002 NE ARG A 70 4.287 -13.007 10.337 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.238 -12.300 10.938 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.461 -12.323 10.481 1.00 0.00 N ATOM 1005 NH2 ARG A 70 4.950 -11.582 11.991 1.00 0.00 N ATOM 0 H ARG A 70 5.101 -13.316 4.733 1.00 0.00 H new ATOM 0 HA ARG A 70 3.322 -14.576 6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.195 -11.658 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.063 -12.313 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.852 -13.494 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.585 -12.062 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.679 -14.351 8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.319 -14.584 9.417 1.00 0.00 H new ATOM 0 HE ARG A 70 3.335 -12.978 10.702 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.688 -12.885 9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.189 -11.779 10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.996 -11.565 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.679 -11.039 12.453 1.00 0.00 H new ATOM 1019 N LYS A 71 1.246 -13.492 5.727 1.00 0.00 N ATOM 1020 CA LYS A 71 0.088 -13.137 4.933 1.00 0.00 C ATOM 1021 C LYS A 71 -0.489 -11.810 5.399 1.00 0.00 C ATOM 1022 O LYS A 71 -0.712 -11.600 6.591 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.970 -14.232 5.029 1.00 0.00 C ATOM 1024 CG LYS A 71 -1.990 -14.039 3.909 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.065 -15.119 4.005 1.00 0.00 C ATOM 1026 CE LYS A 71 -3.901 -15.114 2.726 1.00 0.00 C ATOM 1027 NZ LYS A 71 -3.049 -15.528 1.576 1.00 0.00 N ATOM 0 H LYS A 71 1.035 -13.889 6.643 1.00 0.00 H new ATOM 0 HA LYS A 71 0.398 -13.035 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.504 -15.214 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.465 -14.193 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.445 -13.051 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.495 -14.090 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.603 -16.096 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.702 -14.938 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.747 -15.793 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.310 -14.119 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.499 -16.324 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.939 -14.728 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.114 -15.821 1.924 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.731 -10.924 4.447 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.289 -9.614 4.757 1.00 0.00 C ATOM 1043 C TYR A 72 -2.637 -9.420 4.082 1.00 0.00 C ATOM 1044 O TYR A 72 -2.839 -9.833 2.939 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.379 -8.501 4.239 1.00 0.00 C ATOM 1046 CG TYR A 72 0.924 -8.444 4.998 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.947 -9.354 4.717 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.115 -7.453 5.969 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.163 -9.276 5.411 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.330 -7.370 6.658 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.354 -8.282 6.379 1.00 0.00 C ATOM 1052 OH TYR A 72 4.552 -8.202 7.058 1.00 0.00 O ATOM 0 H TYR A 72 -0.551 -11.085 3.456 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.389 -9.567 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.176 -8.661 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.892 -7.543 4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.801 -10.116 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.323 -6.752 6.186 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.952 -9.982 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.477 -6.603 7.404 1.00 0.00 H new ATOM 0 HH TYR A 72 4.519 -7.456 7.693 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.531 -8.724 4.767 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.826 -8.403 4.196 1.00 0.00 C ATOM 1064 C ILE A 73 -4.784 -6.946 3.795 1.00 0.00 C ATOM 1065 O ILE A 73 -4.457 -6.089 4.605 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.953 -8.635 5.199 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.979 -10.108 5.597 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.288 -8.254 4.559 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -7.043 -10.327 6.672 1.00 0.00 C ATOM 0 H ILE A 73 -3.383 -8.373 5.713 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.024 -9.047 3.339 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.788 -8.022 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.194 -10.727 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.001 -10.412 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.094 -8.419 5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.267 -7.203 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.456 -8.868 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.062 -11.379 6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.808 -9.719 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.019 -10.039 6.282 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.090 -6.669 2.545 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.049 -5.304 2.064 1.00 0.00 C ATOM 1083 C VAL A 74 -6.440 -4.802 1.721 1.00 0.00 C ATOM 1084 O VAL A 74 -7.211 -5.475 1.037 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.152 -5.215 0.829 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.093 -3.761 0.359 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.738 -5.696 1.185 1.00 0.00 C ATOM 0 H VAL A 74 -5.367 -7.362 1.850 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.644 -4.677 2.858 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.556 -5.843 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.455 -3.689 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.097 -3.418 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.685 -3.138 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.099 -5.632 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.329 -5.068 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.781 -6.730 1.528 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.748 -3.606 2.200 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.041 -2.997 1.945 1.00 0.00 C ATOM 1099 C ASN A 75 -7.848 -1.543 1.550 1.00 0.00 C ATOM 1100 O ASN A 75 -7.170 -0.789 2.246 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.911 -3.082 3.198 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.901 -4.508 3.730 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.547 -5.389 3.161 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.198 -4.792 4.790 1.00 0.00 N ATOM 0 H ASN A 75 -6.118 -3.039 2.768 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.536 -3.529 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.538 -2.396 3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.931 -2.777 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.182 -5.746 5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.664 -4.060 5.259 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.438 -1.151 0.433 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.307 0.219 -0.030 1.00 0.00 C ATOM 1113 C VAL A 76 -9.585 0.996 0.244 1.00 0.00 C ATOM 1114 O VAL A 76 -10.675 0.565 -0.128 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.010 0.239 -1.531 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.669 1.665 -1.965 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.826 -0.683 -1.831 1.00 0.00 C ATOM 0 H VAL A 76 -9.005 -1.754 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.484 0.688 0.509 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.887 -0.107 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.457 1.679 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.513 2.321 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.793 2.012 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.615 -0.668 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.949 -0.339 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.070 -1.700 -1.523 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.444 2.149 0.882 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.594 2.985 1.182 1.00 0.00 C ATOM 1129 C TYR A 77 -10.425 4.332 0.504 1.00 0.00 C ATOM 1130 O TYR A 77 -9.338 4.901 0.516 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.718 3.216 2.691 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.784 1.896 3.419 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.002 1.217 3.535 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.625 1.355 3.986 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.061 -0.004 4.218 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.682 0.135 4.669 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.901 -0.546 4.784 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.958 -1.750 5.457 1.00 0.00 O ATOM 0 H TYR A 77 -8.550 2.524 1.200 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.490 2.480 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.866 3.794 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.612 3.802 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.897 1.635 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.685 1.880 3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.001 -0.528 4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.787 -0.281 5.107 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.065 -1.983 5.787 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.493 4.858 -0.067 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.396 6.159 -0.708 1.00 0.00 C ATOM 1150 C GLN A 78 -11.976 7.205 0.229 1.00 0.00 C ATOM 1151 O GLN A 78 -13.010 6.981 0.857 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.140 6.169 -2.045 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.615 6.501 -1.824 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.439 5.962 -2.987 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.532 5.434 -2.783 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -13.975 6.064 -4.202 1.00 0.00 N ATOM 0 H GLN A 78 -12.414 4.421 -0.102 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.349 6.383 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.691 6.903 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.047 5.197 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.960 6.064 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.747 7.580 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.069 6.502 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.518 5.706 -4.987 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.297 8.333 0.340 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.751 9.385 1.231 1.00 0.00 C ATOM 1167 C ILE A 79 -12.478 10.469 0.458 1.00 0.00 C ATOM 1168 O ILE A 79 -11.936 11.061 -0.475 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.558 9.985 1.968 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.783 8.855 2.645 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.053 10.974 3.025 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.530 9.411 3.316 1.00 0.00 C ATOM 0 H ILE A 79 -10.439 8.543 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.445 8.953 1.952 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.911 10.510 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.414 8.363 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.507 8.100 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.200 11.402 3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.618 11.771 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.695 10.455 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.984 8.599 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.895 9.883 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.816 10.149 4.066 1.00 0.00 H new ATOM 1184 N SER A 80 -13.711 10.717 0.862 1.00 0.00 N ATOM 1185 CA SER A 80 -14.532 11.723 0.223 1.00 0.00 C ATOM 1186 C SER A 80 -14.215 13.103 0.789 1.00 0.00 C ATOM 1187 O SER A 80 -13.460 13.231 1.751 1.00 0.00 O ATOM 1188 CB SER A 80 -16.004 11.387 0.438 1.00 0.00 C ATOM 1189 OG SER A 80 -16.329 11.552 1.810 1.00 0.00 O ATOM 0 H SER A 80 -14.166 10.231 1.635 1.00 0.00 H new ATOM 0 HA SER A 80 -14.319 11.735 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.630 12.035 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.204 10.362 0.126 1.00 0.00 H new ATOM 0 HG SER A 80 -17.303 11.575 1.915 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.782 14.129 0.171 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.544 15.503 0.599 1.00 0.00 C ATOM 1197 C GLU A 81 -14.959 15.716 2.053 1.00 0.00 C ATOM 1198 O GLU A 81 -14.518 16.670 2.692 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.327 16.462 -0.297 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.845 16.321 -1.743 1.00 0.00 C ATOM 1201 CD GLU A 81 -13.366 16.680 -1.839 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -12.868 17.306 -0.919 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -12.754 16.322 -2.832 1.00 0.00 O ATOM 0 H GLU A 81 -15.410 14.038 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.475 15.700 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.393 16.245 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.191 17.488 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.003 15.300 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.428 16.972 -2.394 1.00 0.00 H new ATOM 1210 N ASP A 82 -15.810 14.835 2.572 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.269 14.964 3.953 1.00 0.00 C ATOM 1212 C ASP A 82 -15.426 14.115 4.903 1.00 0.00 C ATOM 1213 O ASP A 82 -15.663 14.102 6.111 1.00 0.00 O ATOM 1214 CB ASP A 82 -17.729 14.531 4.057 1.00 0.00 C ATOM 1215 CG ASP A 82 -17.840 13.035 3.789 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -16.811 12.379 3.791 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -18.948 12.567 3.589 1.00 0.00 O ATOM 0 H ASP A 82 -16.191 14.035 2.067 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.167 16.010 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.118 14.763 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.335 15.085 3.340 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.441 13.408 4.356 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.579 12.567 5.180 1.00 0.00 C ATOM 1224 C GLY A 83 -14.182 11.178 5.388 1.00 0.00 C ATOM 1225 O GLY A 83 -13.743 10.429 6.259 1.00 0.00 O ATOM 0 H GLY A 83 -14.222 13.400 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.601 12.473 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.421 13.044 6.147 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.181 10.833 4.579 1.00 0.00 N ATOM 1230 CA GLU A 84 -15.818 9.522 4.688 1.00 0.00 C ATOM 1231 C GLU A 84 -15.023 8.476 3.917 1.00 0.00 C ATOM 1232 O GLU A 84 -14.458 8.764 2.860 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.256 9.582 4.166 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.141 10.293 5.196 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.253 9.447 6.460 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -17.966 8.263 6.383 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.622 9.994 7.487 1.00 0.00 O ATOM 0 H GLU A 84 -15.564 11.434 3.849 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.839 9.237 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.288 10.113 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.630 8.575 3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.720 11.269 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.132 10.468 4.777 1.00 0.00 H new ATOM 1244 N GLN A 85 -14.972 7.261 4.456 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.232 6.178 3.814 1.00 0.00 C ATOM 1246 C GLN A 85 -15.162 5.067 3.333 1.00 0.00 C ATOM 1247 O GLN A 85 -16.142 4.729 3.996 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.220 5.597 4.801 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.047 6.561 4.959 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.092 6.049 6.029 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.973 6.652 7.095 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.406 4.962 5.811 1.00 0.00 N ATOM 0 H GLN A 85 -15.431 7.002 5.330 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.720 6.591 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.696 5.426 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.864 4.630 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.521 6.665 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.413 7.551 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.507 4.464 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.769 4.609 6.525 1.00 0.00 H new ATOM 1261 N SER A 86 -14.828 4.496 2.179 1.00 0.00 N ATOM 1262 CA SER A 86 -15.617 3.409 1.609 1.00 0.00 C ATOM 1263 C SER A 86 -14.691 2.338 1.044 1.00 0.00 C ATOM 1264 O SER A 86 -13.725 2.651 0.351 1.00 0.00 O ATOM 1265 CB SER A 86 -16.518 3.941 0.495 1.00 0.00 C ATOM 1266 OG SER A 86 -17.477 2.949 0.149 1.00 0.00 O ATOM 0 H SER A 86 -14.018 4.767 1.622 1.00 0.00 H new ATOM 0 HA SER A 86 -16.236 2.976 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.021 4.851 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.920 4.204 -0.377 1.00 0.00 H new ATOM 0 HG SER A 86 -18.057 3.289 -0.564 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.985 1.075 1.335 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.153 -0.008 0.830 1.00 0.00 C ATOM 1274 C LEU A 87 -14.390 -0.205 -0.662 1.00 0.00 C ATOM 1275 O LEU A 87 -15.498 -0.527 -1.087 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.463 -1.307 1.576 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.544 -2.422 1.070 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.094 -2.093 1.433 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -13.946 -3.750 1.722 1.00 0.00 C ATOM 0 H LEU A 87 -15.777 0.781 1.906 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.108 0.256 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.323 -1.165 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.506 -1.585 1.425 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.637 -2.506 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.440 -2.887 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.808 -1.149 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.000 -2.009 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.292 -4.545 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.854 -3.666 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.978 -3.985 1.463 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.344 0.002 -1.453 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.458 -0.147 -2.897 1.00 0.00 C ATOM 1293 C ILE A 88 -12.716 -1.388 -3.378 1.00 0.00 C ATOM 1294 O ILE A 88 -13.008 -1.917 -4.450 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.897 1.099 -3.585 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.394 1.206 -3.312 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.604 2.341 -3.042 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.825 2.411 -4.062 1.00 0.00 C ATOM 0 H ILE A 88 -12.417 0.271 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.511 -0.263 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.064 1.025 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.214 1.312 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.890 0.294 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.205 3.230 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.673 2.267 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.438 2.413 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.755 2.488 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.992 2.286 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.322 3.319 -3.721 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.761 -1.856 -2.582 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.002 -3.047 -2.954 1.00 0.00 C ATOM 1312 C LEU A 89 -10.399 -3.726 -1.728 1.00 0.00 C ATOM 1313 O LEU A 89 -9.673 -3.104 -0.951 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.883 -2.687 -3.934 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.170 -3.967 -4.379 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.008 -4.681 -5.443 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.802 -3.614 -4.963 1.00 0.00 C ATOM 0 H LEU A 89 -11.496 -1.439 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.695 -3.739 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.295 -2.167 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.174 -2.008 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.041 -4.624 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.498 -5.591 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.983 -4.936 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.141 -4.024 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.295 -4.526 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.932 -2.955 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.202 -3.110 -4.205 1.00 0.00 H new ATOM 1329 N SER A 90 -10.694 -5.013 -1.574 1.00 0.00 N ATOM 1330 CA SER A 90 -10.166 -5.785 -0.457 1.00 0.00 C ATOM 1331 C SER A 90 -9.593 -7.104 -0.965 1.00 0.00 C ATOM 1332 O SER A 90 -10.292 -7.889 -1.606 1.00 0.00 O ATOM 1333 CB SER A 90 -11.275 -6.064 0.556 1.00 0.00 C ATOM 1334 OG SER A 90 -10.732 -6.779 1.659 1.00 0.00 O ATOM 0 H SER A 90 -11.294 -5.541 -2.207 1.00 0.00 H new ATOM 0 HA SER A 90 -9.376 -5.211 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.717 -5.128 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.073 -6.642 0.090 1.00 0.00 H new ATOM 0 HG SER A 90 -10.450 -6.146 2.352 1.00 0.00 H new ATOM 1340 N THR A 91 -8.316 -7.341 -0.686 1.00 0.00 N ATOM 1341 CA THR A 91 -7.663 -8.567 -1.131 1.00 0.00 C ATOM 1342 C THR A 91 -6.534 -8.952 -0.183 1.00 0.00 C ATOM 1343 O THR A 91 -6.015 -8.111 0.539 1.00 0.00 O ATOM 1344 CB THR A 91 -7.107 -8.368 -2.544 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.685 -9.620 -3.064 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.921 -7.400 -2.502 1.00 0.00 C ATOM 0 H THR A 91 -7.716 -6.707 -0.158 1.00 0.00 H new ATOM 0 HA THR A 91 -8.399 -9.371 -1.136 1.00 0.00 H new ATOM 0 HB THR A 91 -7.884 -7.951 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.330 -9.496 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.529 -7.261 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.249 -6.439 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.140 -7.809 -1.861 1.00 0.00 H new ATOM 1354 N SER A 92 -6.149 -10.222 -0.197 1.00 0.00 N ATOM 1355 CA SER A 92 -5.067 -10.683 0.667 1.00 0.00 C ATOM 1356 C SER A 92 -3.911 -11.207 -0.172 1.00 0.00 C ATOM 1357 O SER A 92 -4.107 -11.687 -1.288 1.00 0.00 O ATOM 1358 CB SER A 92 -5.560 -11.798 1.590 1.00 0.00 C ATOM 1359 OG SER A 92 -5.784 -12.975 0.823 1.00 0.00 O ATOM 0 H SER A 92 -6.562 -10.943 -0.788 1.00 0.00 H new ATOM 0 HA SER A 92 -4.728 -9.839 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.824 -11.993 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.480 -11.494 2.088 1.00 0.00 H new ATOM 0 HG SER A 92 -6.114 -13.689 1.408 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.708 -11.127 0.379 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.529 -11.613 -0.321 1.00 0.00 C ATOM 1367 C GLN A 93 -0.593 -12.306 0.645 1.00 0.00 C ATOM 1368 O GLN A 93 -0.614 -12.051 1.849 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.778 -10.465 -0.990 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.662 -9.797 -2.040 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.822 -8.816 -2.853 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.444 -8.663 -2.558 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.325 -8.178 -3.778 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.524 -10.733 1.302 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.865 -12.316 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.475 -9.734 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.133 -10.840 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.100 -10.549 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.488 -9.274 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.312 -8.300 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.755 -7.527 -4.318 1.00 0.00 H new ATOM 1382 N THR A 94 0.234 -13.177 0.102 1.00 0.00 N ATOM 1383 CA THR A 94 1.188 -13.900 0.911 1.00 0.00 C ATOM 1384 C THR A 94 2.594 -13.652 0.387 1.00 0.00 C ATOM 1385 O THR A 94 2.989 -14.191 -0.648 1.00 0.00 O ATOM 1386 CB THR A 94 0.860 -15.390 0.874 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.440 -15.569 0.328 1.00 0.00 O ATOM 1388 CG2 THR A 94 0.899 -15.959 2.293 1.00 0.00 C ATOM 0 H THR A 94 0.263 -13.399 -0.893 1.00 0.00 H new ATOM 0 HA THR A 94 1.133 -13.553 1.943 1.00 0.00 H new ATOM 0 HB THR A 94 1.593 -15.910 0.257 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.655 -16.525 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.665 -17.023 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.894 -15.818 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.166 -15.442 2.912 1.00 0.00 H new ATOM 1396 N THR A 95 3.341 -12.825 1.105 1.00 0.00 N ATOM 1397 CA THR A 95 4.701 -12.501 0.703 1.00 0.00 C ATOM 1398 C THR A 95 5.511 -13.776 0.488 1.00 0.00 C ATOM 1399 O THR A 95 6.717 -13.671 0.338 1.00 0.00 O ATOM 1400 CB THR A 95 5.364 -11.636 1.777 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.418 -12.359 2.999 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.550 -10.356 1.974 1.00 0.00 C ATOM 1403 OXT THR A 95 4.913 -14.840 0.476 1.00 0.00 O ATOM 0 H THR A 95 3.030 -12.369 1.963 1.00 0.00 H new ATOM 0 HA THR A 95 4.668 -11.948 -0.236 1.00 0.00 H new ATOM 0 HB THR A 95 6.376 -11.377 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.643 -11.748 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.022 -9.739 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.509 -9.803 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.538 -10.613 2.288 1.00 0.00 H new