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= 0.735 K(o=1.8,f=-5.7!) USER MOD Set 1.2: A 90 SER OG : rot 101:sc= 1.07 USER MOD Set 2.1: A 40 TYR OH : rot 152:sc= 1.15 USER MOD Set 2.2: A 50 GLN : amide:sc= -2.59! C(o=-1.4!,f=-4.8!) USER MOD Set 3.1: A 21 SER OG : rot 114:sc= 0.542 USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= 0.422 F(o=-2.4!,f=0.96) USER MOD Single : A 20 SER OG : rot 83:sc= -0.576! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.223 USER MOD Single : A 34 SER OG : rot -52:sc= -3.42! USER MOD Single : A 43 SER OG : rot 110:sc= -1.91 USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00519 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= -0.605! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -2.82! C(o=-4.6!,f=-2.8!) USER MOD Single : A 80 SER OG : rot -174:sc= -4.62! USER MOD Single : A 85 GLN :FLIP amide:sc= -3.17! C(o=-5.6!,f=-3.2!) 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= -0.922 F(o=-3.3!,f=-0.92) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 9:sc= -1.26 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.509 -8.016 0.563 1.00 0.00 N ATOM 264 CA SER A 20 8.191 -8.642 0.590 1.00 0.00 C ATOM 265 C SER A 20 7.096 -7.618 0.293 1.00 0.00 C ATOM 266 O SER A 20 5.967 -7.747 0.765 1.00 0.00 O ATOM 267 CB SER A 20 7.949 -9.283 1.958 1.00 0.00 C ATOM 268 OG SER A 20 8.883 -8.770 2.899 1.00 0.00 O ATOM 0 HA SER A 20 8.159 -9.412 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.932 -9.078 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.048 -10.366 1.886 1.00 0.00 H new ATOM 0 HG SER A 20 8.561 -7.912 3.245 1.00 0.00 H new ATOM 274 N SER A 21 7.441 -6.597 -0.484 1.00 0.00 N ATOM 275 CA SER A 21 6.487 -5.544 -0.824 1.00 0.00 C ATOM 276 C SER A 21 5.307 -6.078 -1.622 1.00 0.00 C ATOM 277 O SER A 21 5.202 -7.271 -1.906 1.00 0.00 O ATOM 278 CB SER A 21 7.167 -4.461 -1.658 1.00 0.00 C ATOM 279 OG SER A 21 6.714 -4.553 -3.003 1.00 0.00 O ATOM 0 H SER A 21 8.369 -6.475 -0.889 1.00 0.00 H new ATOM 0 HA SER A 21 6.124 -5.136 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.939 -3.476 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.250 -4.580 -1.617 1.00 0.00 H new ATOM 0 HG SER A 21 6.203 -3.749 -3.232 1.00 0.00 H new ATOM 285 N PHE A 22 4.437 -5.150 -1.996 1.00 0.00 N ATOM 286 CA PHE A 22 3.259 -5.457 -2.791 1.00 0.00 C ATOM 287 C PHE A 22 2.883 -4.244 -3.617 1.00 0.00 C ATOM 288 O PHE A 22 2.905 -3.118 -3.124 1.00 0.00 O ATOM 289 CB PHE A 22 2.039 -5.775 -1.916 1.00 0.00 C ATOM 290 CG PHE A 22 2.147 -7.087 -1.176 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.797 -8.205 -1.726 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.537 -7.180 0.073 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.827 -9.407 -1.013 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.575 -8.378 0.785 1.00 0.00 C ATOM 295 CZ PHE A 22 2.217 -9.492 0.243 1.00 0.00 C ATOM 0 H PHE A 22 4.529 -4.163 -1.756 1.00 0.00 H new ATOM 0 HA PHE A 22 3.509 -6.322 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.902 -4.971 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.148 -5.795 -2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.271 -8.136 -2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.033 -6.321 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.322 -10.271 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.107 -8.444 1.756 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.243 -10.421 0.794 1.00 0.00 H new ATOM 305 N VAL A 23 2.477 -4.477 -4.849 1.00 0.00 N ATOM 306 CA VAL A 23 2.031 -3.385 -5.687 1.00 0.00 C ATOM 307 C VAL A 23 0.571 -3.638 -6.019 1.00 0.00 C ATOM 308 O VAL A 23 0.247 -4.481 -6.855 1.00 0.00 O ATOM 309 CB VAL A 23 2.873 -3.285 -6.962 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.113 -2.462 -8.001 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.197 -2.585 -6.639 1.00 0.00 C ATOM 0 H VAL A 23 2.447 -5.398 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 23 2.146 -2.436 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 23 3.070 -4.284 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.707 -2.387 -8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.164 -2.948 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.925 -1.463 -7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.800 -2.512 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.996 -1.585 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.739 -3.160 -5.888 1.00 0.00 H new ATOM 321 N VAL A 24 -0.309 -2.932 -5.323 1.00 0.00 N ATOM 322 CA VAL A 24 -1.736 -3.117 -5.514 1.00 0.00 C ATOM 323 C VAL A 24 -2.365 -1.901 -6.177 1.00 0.00 C ATOM 324 O VAL A 24 -2.064 -0.761 -5.824 1.00 0.00 O ATOM 325 CB VAL A 24 -2.401 -3.371 -4.157 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.917 -3.473 -4.341 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.868 -4.680 -3.565 1.00 0.00 C ATOM 0 H VAL A 24 -0.060 -2.231 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.889 -3.975 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.173 -2.547 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.389 -3.654 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.296 -2.542 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.147 -4.296 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.340 -4.862 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.095 -5.504 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.789 -4.607 -3.433 1.00 0.00 H new ATOM 337 N SER A 25 -3.247 -2.155 -7.138 1.00 0.00 N ATOM 338 CA SER A 25 -3.921 -1.075 -7.842 1.00 0.00 C ATOM 339 C SER A 25 -5.428 -1.241 -7.734 1.00 0.00 C ATOM 340 O SER A 25 -5.932 -2.358 -7.609 1.00 0.00 O ATOM 341 CB SER A 25 -3.508 -1.067 -9.312 1.00 0.00 C ATOM 342 OG SER A 25 -3.940 -2.273 -9.928 1.00 0.00 O ATOM 0 H SER A 25 -3.509 -3.092 -7.444 1.00 0.00 H new ATOM 0 HA SER A 25 -3.633 -0.128 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.947 -0.208 -9.820 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.426 -0.969 -9.397 1.00 0.00 H new ATOM 0 HG SER A 25 -3.678 -2.270 -10.872 1.00 0.00 H new ATOM 348 N TRP A 26 -6.144 -0.127 -7.781 1.00 0.00 N ATOM 349 CA TRP A 26 -7.593 -0.168 -7.682 1.00 0.00 C ATOM 350 C TRP A 26 -8.216 0.911 -8.553 1.00 0.00 C ATOM 351 O TRP A 26 -7.517 1.626 -9.272 1.00 0.00 O ATOM 352 CB TRP A 26 -8.013 0.049 -6.230 1.00 0.00 C ATOM 353 CG TRP A 26 -7.357 1.287 -5.715 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.863 2.533 -5.821 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.085 1.420 -5.023 1.00 0.00 C ATOM 356 NE1 TRP A 26 -6.983 3.426 -5.238 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.871 2.787 -4.729 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.107 0.493 -4.622 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.723 3.219 -4.063 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -3.954 0.923 -3.953 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.761 2.283 -3.672 1.00 0.00 C ATOM 0 H TRP A 26 -5.749 0.807 -7.886 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.939 -1.143 -8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.097 0.141 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.726 -0.810 -5.623 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.803 2.791 -6.286 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.137 4.433 -5.190 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.246 -0.557 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.579 4.268 -3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.209 0.202 -3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.870 2.607 -3.154 1.00 0.00 H new ATOM 372 N VAL A 27 -9.532 1.033 -8.471 1.00 0.00 N ATOM 373 CA VAL A 27 -10.243 2.037 -9.241 1.00 0.00 C ATOM 374 C VAL A 27 -10.822 3.081 -8.298 1.00 0.00 C ATOM 375 O VAL A 27 -11.418 2.740 -7.276 1.00 0.00 O ATOM 376 CB VAL A 27 -11.371 1.385 -10.046 1.00 0.00 C ATOM 377 CG1 VAL A 27 -12.037 2.434 -10.937 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.795 0.266 -10.919 1.00 0.00 C ATOM 0 H VAL A 27 -10.126 0.451 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.549 2.514 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.110 0.969 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.840 1.969 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.448 3.230 -10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.299 2.852 -11.621 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.598 -0.198 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.055 0.682 -11.603 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.322 -0.483 -10.285 1.00 0.00 H new ATOM 388 N SER A 28 -10.636 4.348 -8.634 1.00 0.00 N ATOM 389 CA SER A 28 -11.143 5.421 -7.789 1.00 0.00 C ATOM 390 C SER A 28 -12.607 5.179 -7.447 1.00 0.00 C ATOM 391 O SER A 28 -13.061 5.499 -6.349 1.00 0.00 O ATOM 392 CB SER A 28 -11.004 6.762 -8.501 1.00 0.00 C ATOM 393 OG SER A 28 -11.532 7.790 -7.673 1.00 0.00 O ATOM 0 H SER A 28 -10.145 4.657 -9.473 1.00 0.00 H new ATOM 0 HA SER A 28 -10.559 5.439 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.956 6.961 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.534 6.738 -9.453 1.00 0.00 H new ATOM 0 HG SER A 28 -11.443 8.654 -8.127 1.00 0.00 H new ATOM 446 N VAL A 33 -13.553 11.639 -4.495 1.00 0.00 N ATOM 447 CA VAL A 33 -12.531 11.259 -3.534 1.00 0.00 C ATOM 448 C VAL A 33 -11.501 12.367 -3.363 1.00 0.00 C ATOM 449 O VAL A 33 -11.040 12.958 -4.340 1.00 0.00 O ATOM 450 CB VAL A 33 -11.827 9.979 -3.998 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.406 10.119 -5.462 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.587 9.741 -3.139 1.00 0.00 C ATOM 0 HA VAL A 33 -13.018 11.085 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.513 9.137 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.906 9.206 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.288 10.288 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.723 10.962 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.086 8.831 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.907 10.587 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.882 9.635 -2.095 1.00 0.00 H new ATOM 462 N SER A 34 -11.140 12.633 -2.114 1.00 0.00 N ATOM 463 CA SER A 34 -10.150 13.661 -1.818 1.00 0.00 C ATOM 464 C SER A 34 -8.785 13.012 -1.637 1.00 0.00 C ATOM 465 O SER A 34 -7.751 13.684 -1.643 1.00 0.00 O ATOM 466 CB SER A 34 -10.538 14.418 -0.548 1.00 0.00 C ATOM 467 OG SER A 34 -11.760 15.110 -0.769 1.00 0.00 O ATOM 0 H SER A 34 -11.515 12.155 -1.295 1.00 0.00 H new ATOM 0 HA SER A 34 -10.110 14.368 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.646 13.723 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.752 15.122 -0.276 1.00 0.00 H new ATOM 0 HG SER A 34 -11.690 15.644 -1.588 1.00 0.00 H new ATOM 473 N GLY A 35 -8.801 11.695 -1.477 1.00 0.00 N ATOM 474 CA GLY A 35 -7.579 10.924 -1.297 1.00 0.00 C ATOM 475 C GLY A 35 -7.925 9.460 -1.065 1.00 0.00 C ATOM 476 O GLY A 35 -9.095 9.092 -1.012 1.00 0.00 O ATOM 0 H GLY A 35 -9.654 11.136 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.943 11.022 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.014 11.313 -0.450 1.00 0.00 H new ATOM 480 N PHE A 36 -6.909 8.630 -0.914 1.00 0.00 N ATOM 481 CA PHE A 36 -7.139 7.214 -0.674 1.00 0.00 C ATOM 482 C PHE A 36 -6.380 6.754 0.556 1.00 0.00 C ATOM 483 O PHE A 36 -5.345 7.313 0.903 1.00 0.00 O ATOM 484 CB PHE A 36 -6.687 6.388 -1.879 1.00 0.00 C ATOM 485 CG PHE A 36 -7.590 6.663 -3.056 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.752 5.903 -3.239 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.260 7.670 -3.967 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.586 6.154 -4.336 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.094 7.921 -5.063 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.256 7.164 -5.248 1.00 0.00 C ATOM 0 H PHE A 36 -5.928 8.905 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.207 7.068 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.656 6.635 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.709 5.326 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.005 5.124 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.363 8.254 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.483 5.569 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.840 8.700 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.898 7.359 -6.094 1.00 0.00 H new ATOM 500 N ARG A 37 -6.888 5.718 1.204 1.00 0.00 N ATOM 501 CA ARG A 37 -6.219 5.189 2.379 1.00 0.00 C ATOM 502 C ARG A 37 -6.084 3.683 2.260 1.00 0.00 C ATOM 503 O ARG A 37 -7.057 2.980 1.982 1.00 0.00 O ATOM 504 CB ARG A 37 -6.984 5.534 3.655 1.00 0.00 C ATOM 505 CG ARG A 37 -6.120 5.166 4.865 1.00 0.00 C ATOM 506 CD ARG A 37 -6.909 5.378 6.155 1.00 0.00 C ATOM 507 NE ARG A 37 -7.899 4.324 6.310 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.542 4.146 7.458 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.245 4.884 8.491 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.459 3.223 7.554 1.00 0.00 N ATOM 0 H ARG A 37 -7.747 5.234 0.941 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.231 5.645 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.226 6.597 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.929 4.991 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.801 4.126 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.217 5.777 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.232 5.381 7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.401 6.350 6.135 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.103 3.710 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.519 5.597 8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.738 4.748 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.681 2.639 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.954 3.085 8.435 1.00 0.00 H new ATOM 524 N VAL A 38 -4.874 3.194 2.467 1.00 0.00 N ATOM 525 CA VAL A 38 -4.626 1.764 2.374 1.00 0.00 C ATOM 526 C VAL A 38 -4.285 1.192 3.741 1.00 0.00 C ATOM 527 O VAL A 38 -3.470 1.749 4.473 1.00 0.00 O ATOM 528 CB VAL A 38 -3.485 1.485 1.399 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.368 -0.022 1.174 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.775 2.175 0.066 1.00 0.00 C ATOM 0 H VAL A 38 -4.056 3.757 2.698 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.533 1.284 2.007 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.551 1.867 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.554 -0.224 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.165 -0.517 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.302 -0.402 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.961 1.977 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.708 1.791 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.863 3.250 0.224 1.00 0.00 H new ATOM 540 N GLU A 39 -4.911 0.071 4.073 1.00 0.00 N ATOM 541 CA GLU A 39 -4.658 -0.570 5.353 1.00 0.00 C ATOM 542 C GLU A 39 -4.172 -1.993 5.137 1.00 0.00 C ATOM 543 O GLU A 39 -4.814 -2.779 4.440 1.00 0.00 O ATOM 544 CB GLU A 39 -5.941 -0.612 6.188 1.00 0.00 C ATOM 545 CG GLU A 39 -5.614 -1.120 7.595 1.00 0.00 C ATOM 546 CD GLU A 39 -6.865 -1.698 8.250 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.620 -2.360 7.556 1.00 0.00 O ATOM 548 OE2 GLU A 39 -7.047 -1.478 9.436 1.00 0.00 O ATOM 0 H GLU A 39 -5.590 -0.408 3.481 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.896 0.006 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.386 0.382 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.675 -1.264 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.837 -1.882 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.221 -0.304 8.202 1.00 0.00 H new ATOM 555 N TYR A 40 -3.047 -2.329 5.750 1.00 0.00 N ATOM 556 CA TYR A 40 -2.511 -3.671 5.625 1.00 0.00 C ATOM 557 C TYR A 40 -2.060 -4.197 6.979 1.00 0.00 C ATOM 558 O TYR A 40 -1.345 -3.523 7.722 1.00 0.00 O ATOM 559 CB TYR A 40 -1.362 -3.704 4.611 1.00 0.00 C ATOM 560 CG TYR A 40 -0.230 -2.812 5.057 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.257 -1.445 4.760 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.856 -3.357 5.751 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.801 -0.622 5.160 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.916 -2.536 6.149 1.00 0.00 C ATOM 565 CZ TYR A 40 1.889 -1.167 5.854 1.00 0.00 C ATOM 566 OH TYR A 40 2.936 -0.357 6.245 1.00 0.00 O ATOM 0 H TYR A 40 -2.495 -1.698 6.331 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.303 -4.324 5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.002 -4.726 4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.723 -3.381 3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.094 -1.025 4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.876 -4.412 5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.779 0.434 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.755 -2.957 6.683 1.00 0.00 H new ATOM 0 HH TYR A 40 3.358 -0.732 7.046 1.00 0.00 H new ATOM 576 N GLU A 41 -2.502 -5.409 7.291 1.00 0.00 N ATOM 577 CA GLU A 41 -2.171 -6.048 8.554 1.00 0.00 C ATOM 578 C GLU A 41 -1.988 -7.547 8.340 1.00 0.00 C ATOM 579 O GLU A 41 -2.372 -8.080 7.302 1.00 0.00 O ATOM 580 CB GLU A 41 -3.290 -5.804 9.569 1.00 0.00 C ATOM 581 CG GLU A 41 -4.534 -6.601 9.164 1.00 0.00 C ATOM 582 CD GLU A 41 -5.722 -6.186 10.024 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.730 -5.055 10.482 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.607 -7.004 10.214 1.00 0.00 O ATOM 0 H GLU A 41 -3.095 -5.971 6.680 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.243 -5.623 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.963 -6.103 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.526 -4.741 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.759 -6.430 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.346 -7.668 9.280 1.00 0.00 H new ATOM 591 N LEU A 42 -1.393 -8.218 9.315 1.00 0.00 N ATOM 592 CA LEU A 42 -1.158 -9.653 9.200 1.00 0.00 C ATOM 593 C LEU A 42 -2.441 -10.445 9.393 1.00 0.00 C ATOM 594 O LEU A 42 -3.141 -10.287 10.393 1.00 0.00 O ATOM 595 CB LEU A 42 -0.131 -10.085 10.242 1.00 0.00 C ATOM 596 CG LEU A 42 1.171 -9.325 9.990 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.068 -9.417 11.218 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.896 -9.946 8.796 1.00 0.00 C ATOM 0 H LEU A 42 -1.067 -7.800 10.186 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.783 -9.856 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.501 -9.878 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.041 -11.160 10.181 1.00 0.00 H new ATOM 0 HG LEU A 42 0.942 -8.279 9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.995 -8.874 11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.556 -8.981 12.076 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.296 -10.463 11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.825 -9.406 8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.120 -10.991 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.261 -9.884 7.912 1.00 0.00 H new ATOM 610 N SER A 43 -2.730 -11.313 8.430 1.00 0.00 N ATOM 611 CA SER A 43 -3.921 -12.145 8.507 1.00 0.00 C ATOM 612 C SER A 43 -3.748 -13.178 9.610 1.00 0.00 C ATOM 613 O SER A 43 -4.690 -13.499 10.336 1.00 0.00 O ATOM 614 CB SER A 43 -4.146 -12.860 7.176 1.00 0.00 C ATOM 615 OG SER A 43 -3.297 -13.997 7.109 1.00 0.00 O ATOM 0 H SER A 43 -2.161 -11.457 7.596 1.00 0.00 H new ATOM 0 HA SER A 43 -4.782 -11.514 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.189 -13.164 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.936 -12.185 6.346 1.00 0.00 H new ATOM 0 HG SER A 43 -3.837 -14.812 7.174 1.00 0.00 H new ATOM 621 N GLU A 44 -2.526 -13.689 9.731 1.00 0.00 N ATOM 622 CA GLU A 44 -2.216 -14.681 10.750 1.00 0.00 C ATOM 623 C GLU A 44 -2.024 -14.007 12.098 1.00 0.00 C ATOM 624 O GLU A 44 -2.696 -14.333 13.075 1.00 0.00 O ATOM 625 CB GLU A 44 -0.934 -15.426 10.380 1.00 0.00 C ATOM 626 CG GLU A 44 -1.149 -16.212 9.086 1.00 0.00 C ATOM 627 CD GLU A 44 0.072 -17.080 8.799 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.995 -17.056 9.597 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.069 -17.753 7.781 1.00 0.00 O ATOM 0 H GLU A 44 -1.738 -13.432 9.137 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.046 -15.385 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.114 -14.719 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.650 -16.104 11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.038 -16.837 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.321 -15.525 8.257 1.00 0.00 H new ATOM 685 N PRO A 49 -2.262 -2.559 12.852 1.00 0.00 N ATOM 686 CA PRO A 49 -2.514 -2.188 11.430 1.00 0.00 C ATOM 687 C PRO A 49 -1.772 -0.920 11.023 1.00 0.00 C ATOM 688 O PRO A 49 -1.493 -0.057 11.854 1.00 0.00 O ATOM 689 CB PRO A 49 -4.025 -1.966 11.378 1.00 0.00 C ATOM 690 CG PRO A 49 -4.410 -1.569 12.763 1.00 0.00 C ATOM 691 CD PRO A 49 -3.428 -2.266 13.705 1.00 0.00 C ATOM 0 HA PRO A 49 -2.163 -2.956 10.741 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.284 -1.189 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.546 -2.872 11.069 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.361 -0.487 12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.435 -1.868 12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.157 -1.626 14.545 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.855 -3.177 14.124 1.00 0.00 H new ATOM 699 N GLN A 50 -1.471 -0.807 9.736 1.00 0.00 N ATOM 700 CA GLN A 50 -0.778 0.366 9.220 1.00 0.00 C ATOM 701 C GLN A 50 -1.655 1.070 8.191 1.00 0.00 C ATOM 702 O GLN A 50 -2.373 0.419 7.432 1.00 0.00 O ATOM 703 CB GLN A 50 0.545 -0.048 8.573 1.00 0.00 C ATOM 704 CG GLN A 50 1.476 -0.637 9.635 1.00 0.00 C ATOM 705 CD GLN A 50 2.265 -1.800 9.045 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.394 -1.620 8.588 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.733 -2.992 9.028 1.00 0.00 N ATOM 0 H GLN A 50 -1.695 -1.511 9.032 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.571 1.047 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.363 -0.782 7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.016 0.814 8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.159 0.131 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.895 -0.978 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.798 -3.138 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.253 -3.777 8.635 1.00 0.00 H new ATOM 716 N TYR A 51 -1.600 2.398 8.167 1.00 0.00 N ATOM 717 CA TYR A 51 -2.410 3.151 7.218 1.00 0.00 C ATOM 718 C TYR A 51 -1.540 4.047 6.344 1.00 0.00 C ATOM 719 O TYR A 51 -0.640 4.728 6.834 1.00 0.00 O ATOM 720 CB TYR A 51 -3.418 4.034 7.958 1.00 0.00 C ATOM 721 CG TYR A 51 -4.137 3.238 9.019 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.207 2.408 8.670 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.740 3.345 10.357 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.880 1.683 9.661 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.410 2.619 11.348 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.482 1.789 10.999 1.00 0.00 C ATOM 727 OH TYR A 51 -6.149 1.076 11.975 1.00 0.00 O ATOM 0 H TYR A 51 -1.015 2.965 8.781 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.932 2.428 6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.904 4.879 8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.139 4.444 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.514 2.326 7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.915 3.989 10.625 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.707 1.042 9.393 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.101 2.699 12.380 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.746 1.262 12.849 1.00 0.00 H new ATOM 737 N LEU A 52 -1.843 4.064 5.051 1.00 0.00 N ATOM 738 CA LEU A 52 -1.119 4.906 4.109 1.00 0.00 C ATOM 739 C LEU A 52 -2.109 5.785 3.367 1.00 0.00 C ATOM 740 O LEU A 52 -3.129 5.304 2.878 1.00 0.00 O ATOM 741 CB LEU A 52 -0.335 4.051 3.117 1.00 0.00 C ATOM 742 CG LEU A 52 0.603 3.130 3.886 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.385 2.265 2.900 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.578 3.976 4.710 1.00 0.00 C ATOM 0 H LEU A 52 -2.585 3.504 4.632 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.411 5.528 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.019 3.464 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.235 4.688 2.440 1.00 0.00 H new ATOM 0 HG LEU A 52 0.025 2.489 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.057 1.605 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.690 1.667 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.967 2.905 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.251 3.321 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.158 4.615 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.019 4.596 5.411 1.00 0.00 H new ATOM 756 N ASP A 53 -1.815 7.072 3.295 1.00 0.00 N ATOM 757 CA ASP A 53 -2.711 8.000 2.617 1.00 0.00 C ATOM 758 C ASP A 53 -2.146 8.437 1.269 1.00 0.00 C ATOM 759 O ASP A 53 -0.958 8.740 1.145 1.00 0.00 O ATOM 760 CB ASP A 53 -2.966 9.222 3.496 1.00 0.00 C ATOM 761 CG ASP A 53 -3.606 8.794 4.814 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.163 7.710 4.854 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.530 9.558 5.762 1.00 0.00 O ATOM 0 H ASP A 53 -0.976 7.496 3.691 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.653 7.482 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.028 9.742 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.619 9.924 2.977 1.00 0.00 H new ATOM 768 N LEU A 54 -3.011 8.456 0.262 1.00 0.00 N ATOM 769 CA LEU A 54 -2.612 8.843 -1.085 1.00 0.00 C ATOM 770 C LEU A 54 -3.586 9.890 -1.627 1.00 0.00 C ATOM 771 O LEU A 54 -4.726 9.970 -1.171 1.00 0.00 O ATOM 772 CB LEU A 54 -2.640 7.609 -1.996 1.00 0.00 C ATOM 773 CG LEU A 54 -2.133 6.381 -1.234 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.501 5.116 -2.011 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.614 6.464 -1.091 1.00 0.00 C ATOM 0 H LEU A 54 -3.996 8.207 0.354 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.605 9.260 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.655 7.433 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.020 7.782 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.591 6.350 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.141 4.240 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.584 5.057 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.040 5.148 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.251 5.591 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.156 6.493 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.349 7.368 -0.542 1.00 0.00 H new ATOM 787 N PRO A 55 -3.176 10.680 -2.587 1.00 0.00 N ATOM 788 CA PRO A 55 -4.059 11.720 -3.182 1.00 0.00 C ATOM 789 C PRO A 55 -5.185 11.109 -4.019 1.00 0.00 C ATOM 790 O PRO A 55 -5.091 9.965 -4.464 1.00 0.00 O ATOM 791 CB PRO A 55 -3.123 12.567 -4.048 1.00 0.00 C ATOM 792 CG PRO A 55 -1.914 11.728 -4.305 1.00 0.00 C ATOM 793 CD PRO A 55 -1.839 10.671 -3.202 1.00 0.00 C ATOM 0 HA PRO A 55 -4.564 12.307 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.607 12.848 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.853 13.492 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.978 11.255 -5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.014 12.344 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.597 9.689 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.066 10.913 -2.473 1.00 0.00 H new ATOM 801 N SER A 56 -6.247 11.881 -4.219 1.00 0.00 N ATOM 802 CA SER A 56 -7.393 11.410 -4.996 1.00 0.00 C ATOM 803 C SER A 56 -6.978 11.036 -6.416 1.00 0.00 C ATOM 804 O SER A 56 -7.745 10.409 -7.148 1.00 0.00 O ATOM 805 CB SER A 56 -8.475 12.487 -5.052 1.00 0.00 C ATOM 806 OG SER A 56 -7.907 13.702 -5.522 1.00 0.00 O ATOM 0 H SER A 56 -6.341 12.830 -3.858 1.00 0.00 H new ATOM 0 HA SER A 56 -7.787 10.522 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.284 12.172 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.909 12.634 -4.063 1.00 0.00 H new ATOM 0 HG SER A 56 -8.600 14.394 -5.560 1.00 0.00 H new ATOM 812 N THR A 57 -5.772 11.429 -6.806 1.00 0.00 N ATOM 813 CA THR A 57 -5.288 11.126 -8.148 1.00 0.00 C ATOM 814 C THR A 57 -4.511 9.812 -8.160 1.00 0.00 C ATOM 815 O THR A 57 -4.159 9.301 -9.223 1.00 0.00 O ATOM 816 CB THR A 57 -4.384 12.259 -8.643 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.144 12.211 -7.948 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.062 13.604 -8.386 1.00 0.00 C ATOM 0 H THR A 57 -5.119 11.951 -6.222 1.00 0.00 H new ATOM 0 HA THR A 57 -6.149 11.029 -8.809 1.00 0.00 H new ATOM 0 HB THR A 57 -4.207 12.143 -9.712 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.563 12.934 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.418 14.409 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.012 13.640 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.240 13.723 -7.317 1.00 0.00 H new ATOM 826 N ALA A 58 -4.251 9.269 -6.975 1.00 0.00 N ATOM 827 CA ALA A 58 -3.518 8.011 -6.867 1.00 0.00 C ATOM 828 C ALA A 58 -4.457 6.821 -7.058 1.00 0.00 C ATOM 829 O ALA A 58 -5.540 6.778 -6.476 1.00 0.00 O ATOM 830 CB ALA A 58 -2.841 7.918 -5.497 1.00 0.00 C ATOM 0 H ALA A 58 -4.534 9.675 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.760 7.986 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.296 6.977 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.147 8.750 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.598 7.961 -4.714 1.00 0.00 H new ATOM 836 N THR A 59 -4.036 5.858 -7.871 1.00 0.00 N ATOM 837 CA THR A 59 -4.856 4.677 -8.116 1.00 0.00 C ATOM 838 C THR A 59 -4.037 3.402 -7.949 1.00 0.00 C ATOM 839 O THR A 59 -4.492 2.314 -8.305 1.00 0.00 O ATOM 840 CB THR A 59 -5.446 4.726 -9.525 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.394 4.803 -10.478 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.351 5.951 -9.656 1.00 0.00 C ATOM 0 H THR A 59 -3.144 5.870 -8.366 1.00 0.00 H new ATOM 0 HA THR A 59 -5.665 4.671 -7.385 1.00 0.00 H new ATOM 0 HB THR A 59 -6.031 3.824 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.773 4.833 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.772 5.987 -10.661 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.158 5.887 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.769 6.854 -9.474 1.00 0.00 H new ATOM 850 N SER A 60 -2.835 3.538 -7.402 1.00 0.00 N ATOM 851 CA SER A 60 -1.968 2.385 -7.185 1.00 0.00 C ATOM 852 C SER A 60 -0.849 2.750 -6.219 1.00 0.00 C ATOM 853 O SER A 60 -0.349 3.875 -6.237 1.00 0.00 O ATOM 854 CB SER A 60 -1.368 1.916 -8.512 1.00 0.00 C ATOM 855 OG SER A 60 -0.316 2.794 -8.890 1.00 0.00 O ATOM 0 H SER A 60 -2.440 4.429 -7.102 1.00 0.00 H new ATOM 0 HA SER A 60 -2.563 1.577 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.990 0.898 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.136 1.897 -9.285 1.00 0.00 H new ATOM 0 HG SER A 60 0.071 2.494 -9.739 1.00 0.00 H new ATOM 861 N VAL A 61 -0.459 1.805 -5.371 1.00 0.00 N ATOM 862 CA VAL A 61 0.603 2.075 -4.410 1.00 0.00 C ATOM 863 C VAL A 61 1.406 0.821 -4.091 1.00 0.00 C ATOM 864 O VAL A 61 0.881 -0.293 -4.098 1.00 0.00 O ATOM 865 CB VAL A 61 0.018 2.629 -3.113 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.623 1.492 -2.319 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.138 3.261 -2.285 1.00 0.00 C ATOM 0 H VAL A 61 -0.852 0.865 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 61 1.268 2.810 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.737 3.381 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.041 1.886 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.417 1.037 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.131 0.741 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.725 3.658 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.890 2.506 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.598 4.070 -2.853 1.00 0.00 H new ATOM 877 N ASN A 62 2.681 1.027 -3.788 1.00 0.00 N ATOM 878 CA ASN A 62 3.574 -0.067 -3.435 1.00 0.00 C ATOM 879 C ASN A 62 3.795 -0.063 -1.923 1.00 0.00 C ATOM 880 O ASN A 62 4.217 0.948 -1.367 1.00 0.00 O ATOM 881 CB ASN A 62 4.914 0.109 -4.159 1.00 0.00 C ATOM 882 CG ASN A 62 5.840 -1.071 -3.874 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.403 -2.082 -3.178 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.995 -1.072 -4.302 1.00 0.00 N flip ATOM 0 H ASN A 62 3.121 1.947 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 62 3.131 -1.017 -3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.745 0.194 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.388 1.036 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.338 -0.281 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.609 -1.864 -4.111 1.00 0.00 H new ATOM 891 N ILE A 63 3.494 -1.182 -1.261 1.00 0.00 N ATOM 892 CA ILE A 63 3.662 -1.273 0.190 1.00 0.00 C ATOM 893 C ILE A 63 4.953 -2.010 0.547 1.00 0.00 C ATOM 894 O ILE A 63 5.010 -3.236 0.467 1.00 0.00 O ATOM 895 CB ILE A 63 2.481 -2.026 0.805 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.181 -1.604 0.114 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.402 -1.708 2.298 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.012 -1.984 0.994 1.00 0.00 C ATOM 0 H ILE A 63 3.136 -2.030 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 63 3.709 -0.259 0.586 1.00 0.00 H new ATOM 0 HB ILE A 63 2.622 -3.098 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.185 -0.529 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.099 -2.090 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.561 -2.243 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.326 -2.018 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.262 -0.636 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.937 -1.684 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.019 -3.062 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.069 -1.477 1.955 1.00 0.00 H new ATOM 910 N PRO A 64 5.983 -1.303 0.937 1.00 0.00 N ATOM 911 CA PRO A 64 7.284 -1.911 1.307 1.00 0.00 C ATOM 912 C PRO A 64 7.409 -2.203 2.803 1.00 0.00 C ATOM 913 O PRO A 64 6.502 -1.930 3.588 1.00 0.00 O ATOM 914 CB PRO A 64 8.270 -0.829 0.889 1.00 0.00 C ATOM 915 CG PRO A 64 7.553 0.459 1.149 1.00 0.00 C ATOM 916 CD PRO A 64 6.047 0.162 1.069 1.00 0.00 C ATOM 0 HA PRO A 64 7.438 -2.881 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.194 -0.891 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.542 -0.926 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.816 0.855 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.837 1.213 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.524 0.506 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.586 0.661 0.217 1.00 0.00 H new ATOM 924 N ASP A 65 8.560 -2.748 3.172 1.00 0.00 N ATOM 925 CA ASP A 65 8.863 -3.082 4.564 1.00 0.00 C ATOM 926 C ASP A 65 7.901 -4.132 5.121 1.00 0.00 C ATOM 927 O ASP A 65 7.529 -4.084 6.293 1.00 0.00 O ATOM 928 CB ASP A 65 8.793 -1.820 5.428 1.00 0.00 C ATOM 929 CG ASP A 65 9.859 -0.822 4.984 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.737 -1.218 4.236 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.780 0.323 5.396 1.00 0.00 O ATOM 0 H ASP A 65 9.311 -2.972 2.519 1.00 0.00 H new ATOM 0 HA ASP A 65 9.870 -3.500 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.804 -1.368 5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.940 -2.079 6.477 1.00 0.00 H new ATOM 936 N LEU A 66 7.522 -5.089 4.283 1.00 0.00 N ATOM 937 CA LEU A 66 6.627 -6.162 4.709 1.00 0.00 C ATOM 938 C LEU A 66 7.435 -7.364 5.196 1.00 0.00 C ATOM 939 O LEU A 66 8.561 -7.579 4.749 1.00 0.00 O ATOM 940 CB LEU A 66 5.733 -6.590 3.548 1.00 0.00 C ATOM 941 CG LEU A 66 4.981 -5.380 2.990 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.902 -5.859 2.015 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.326 -4.606 4.135 1.00 0.00 C ATOM 0 H LEU A 66 7.818 -5.146 3.308 1.00 0.00 H new ATOM 0 HA LEU A 66 6.008 -5.792 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.336 -7.047 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.023 -7.346 3.885 1.00 0.00 H new ATOM 0 HG LEU A 66 5.682 -4.727 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.365 -4.999 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.369 -6.407 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.204 -6.513 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.792 -3.745 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.625 -5.256 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.094 -4.265 4.829 1.00 0.00 H new ATOM 955 N LEU A 67 6.863 -8.154 6.103 1.00 0.00 N ATOM 956 CA LEU A 67 7.561 -9.329 6.613 1.00 0.00 C ATOM 957 C LEU A 67 7.383 -10.502 5.648 1.00 0.00 C ATOM 958 O LEU A 67 6.256 -10.925 5.391 1.00 0.00 O ATOM 959 CB LEU A 67 6.998 -9.722 7.980 1.00 0.00 C ATOM 960 CG LEU A 67 7.540 -8.785 9.058 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.599 -8.803 10.264 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.926 -9.267 9.498 1.00 0.00 C ATOM 0 H LEU A 67 5.933 -8.004 6.494 1.00 0.00 H new ATOM 0 HA LEU A 67 8.620 -9.089 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.909 -9.676 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.270 -10.752 8.212 1.00 0.00 H new ATOM 0 HG LEU A 67 7.610 -7.773 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.983 -8.135 11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.607 -8.470 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.535 -9.816 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.316 -8.600 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.849 -10.278 9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.600 -9.266 8.642 1.00 0.00 H new ATOM 974 N PRO A 68 8.452 -11.037 5.107 1.00 0.00 N ATOM 975 CA PRO A 68 8.364 -12.181 4.157 1.00 0.00 C ATOM 976 C PRO A 68 7.902 -13.463 4.844 1.00 0.00 C ATOM 977 O PRO A 68 8.244 -13.713 5.999 1.00 0.00 O ATOM 978 CB PRO A 68 9.782 -12.331 3.613 1.00 0.00 C ATOM 979 CG PRO A 68 10.668 -11.702 4.629 1.00 0.00 C ATOM 980 CD PRO A 68 9.847 -10.625 5.336 1.00 0.00 C ATOM 0 HA PRO A 68 7.629 -11.998 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.037 -13.381 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.885 -11.840 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.024 -12.445 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.548 -11.267 4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.080 -10.578 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.045 -9.636 4.923 1.00 0.00 H new ATOM 988 N GLY A 69 7.129 -14.273 4.127 1.00 0.00 N ATOM 989 CA GLY A 69 6.632 -15.527 4.684 1.00 0.00 C ATOM 990 C GLY A 69 5.398 -15.289 5.548 1.00 0.00 C ATOM 991 O GLY A 69 4.999 -16.154 6.328 1.00 0.00 O ATOM 0 H GLY A 69 6.835 -14.086 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.387 -16.216 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.413 -15.999 5.280 1.00 0.00 H new ATOM 995 N ARG A 70 4.800 -14.109 5.405 1.00 0.00 N ATOM 996 CA ARG A 70 3.614 -13.762 6.182 1.00 0.00 C ATOM 997 C ARG A 70 2.468 -13.354 5.264 1.00 0.00 C ATOM 998 O ARG A 70 2.690 -12.868 4.155 1.00 0.00 O ATOM 999 CB ARG A 70 3.934 -12.606 7.128 1.00 0.00 C ATOM 1000 CG ARG A 70 5.118 -12.974 8.029 1.00 0.00 C ATOM 1001 CD ARG A 70 4.655 -13.911 9.147 1.00 0.00 C ATOM 1002 NE ARG A 70 5.031 -13.367 10.448 1.00 0.00 N ATOM 1003 CZ ARG A 70 4.697 -12.131 10.804 1.00 0.00 C ATOM 1004 NH1 ARG A 70 4.014 -11.375 9.989 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.050 -11.675 11.973 1.00 0.00 N ATOM 0 H ARG A 70 5.115 -13.382 4.763 1.00 0.00 H new ATOM 0 HA ARG A 70 3.313 -14.638 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.169 -11.710 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.061 -12.373 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.898 -13.456 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.554 -12.071 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.574 -14.041 9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.101 -14.896 9.014 1.00 0.00 H new ATOM 0 HE ARG A 70 5.561 -13.948 11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.735 -11.732 9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.759 -10.427 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.581 -12.266 12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.795 -10.727 12.249 1.00 0.00 H new ATOM 1019 N LYS A 71 1.238 -13.542 5.739 1.00 0.00 N ATOM 1020 CA LYS A 71 0.066 -13.177 4.960 1.00 0.00 C ATOM 1021 C LYS A 71 -0.521 -11.869 5.471 1.00 0.00 C ATOM 1022 O LYS A 71 -0.683 -11.675 6.675 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.989 -14.278 5.039 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.103 -13.974 4.038 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.192 -15.040 4.139 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.075 -14.976 2.893 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.860 -16.238 2.777 1.00 0.00 N ATOM 0 H LYS A 71 1.032 -13.943 6.654 1.00 0.00 H new ATOM 0 HA LYS A 71 0.370 -13.050 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.539 -15.246 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.396 -14.337 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.525 -12.989 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.699 -13.948 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.742 -16.029 4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.793 -14.879 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.748 -14.121 2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.460 -14.835 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.461 -16.196 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.209 -17.046 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.458 -16.354 3.620 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.837 -10.976 4.547 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.407 -9.681 4.908 1.00 0.00 C ATOM 1043 C TYR A 72 -2.783 -9.474 4.280 1.00 0.00 C ATOM 1044 O TYR A 72 -3.062 -9.960 3.183 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.511 -8.551 4.410 1.00 0.00 C ATOM 1046 CG TYR A 72 0.785 -8.508 5.177 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.865 -9.302 4.776 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.913 -7.655 6.279 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.073 -9.244 5.479 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.121 -7.592 6.978 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.200 -8.387 6.580 1.00 0.00 C ATOM 1052 OH TYR A 72 4.390 -8.319 7.268 1.00 0.00 O ATOM 0 H TYR A 72 -0.711 -11.120 3.545 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.491 -9.669 5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.305 -8.687 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.030 -7.598 4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.766 -9.959 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.077 -7.045 6.589 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.907 -9.859 5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.221 -6.930 7.825 1.00 0.00 H new ATOM 0 HH TYR A 72 4.307 -7.675 8.002 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.609 -8.691 4.961 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.929 -8.342 4.455 1.00 0.00 C ATOM 1064 C ILE A 73 -4.882 -6.880 4.053 1.00 0.00 C ATOM 1065 O ILE A 73 -4.519 -6.026 4.856 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.994 -8.563 5.529 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.954 -10.022 5.975 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.377 -8.244 4.956 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.898 -10.224 7.159 1.00 0.00 C ATOM 0 H ILE A 73 -3.386 -8.284 5.869 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.190 -8.970 3.604 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.798 -7.910 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.245 -10.673 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.938 -10.299 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.134 -8.402 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.404 -7.205 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.579 -8.897 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.867 -11.267 7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.587 -9.585 7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.914 -9.965 6.862 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.217 -6.594 2.806 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.164 -5.224 2.318 1.00 0.00 C ATOM 1083 C VAL A 74 -6.544 -4.711 1.935 1.00 0.00 C ATOM 1084 O VAL A 74 -7.314 -5.396 1.261 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.234 -5.147 1.107 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.134 -3.697 0.634 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.842 -5.657 1.500 1.00 0.00 C ATOM 0 H VAL A 74 -5.525 -7.282 2.119 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.783 -4.595 3.123 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.632 -5.764 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.471 -3.641 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.124 -3.336 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.735 -3.079 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.178 -5.603 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.442 -5.040 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.915 -6.691 1.837 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.839 -3.492 2.365 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.118 -2.871 2.066 1.00 0.00 C ATOM 1099 C ASN A 75 -7.899 -1.428 1.629 1.00 0.00 C ATOM 1100 O ASN A 75 -7.205 -0.668 2.306 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.011 -2.898 3.306 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.085 -4.315 3.863 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.779 -5.168 3.308 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.403 -4.618 4.933 1.00 0.00 N ATOM 0 H ASN A 75 -6.209 -2.915 2.922 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.603 -3.424 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.617 -2.221 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.011 -2.545 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.443 -5.564 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.829 -3.909 5.390 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.489 -1.050 0.503 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.337 0.311 0.009 1.00 0.00 C ATOM 1113 C VAL A 76 -9.622 1.095 0.216 1.00 0.00 C ATOM 1114 O VAL A 76 -10.703 0.653 -0.174 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.988 0.303 -1.478 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.680 1.730 -1.935 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.763 -0.584 -1.711 1.00 0.00 C ATOM 0 H VAL A 76 -9.069 -1.656 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.529 0.786 0.566 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.831 -0.088 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.431 1.726 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.553 2.361 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.837 2.120 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.514 -0.589 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.918 -0.195 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.982 -1.601 -1.385 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.497 2.265 0.820 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.652 3.109 1.062 1.00 0.00 C ATOM 1129 C TYR A 77 -10.466 4.446 0.374 1.00 0.00 C ATOM 1130 O TYR A 77 -9.380 5.019 0.401 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.826 3.359 2.560 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.854 2.048 3.305 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.053 1.334 3.425 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.681 1.548 3.884 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.077 0.120 4.121 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.706 0.335 4.582 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.904 -0.380 4.700 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.929 -1.577 5.386 1.00 0.00 O ATOM 0 H TYR A 77 -8.612 2.649 1.150 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.533 2.601 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.010 3.979 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.750 3.908 2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.959 1.720 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.757 2.099 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.001 -0.432 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.801 -0.049 5.029 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.031 -1.779 5.723 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.530 4.956 -0.217 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.451 6.249 -0.870 1.00 0.00 C ATOM 1150 C GLN A 78 -12.062 7.284 0.057 1.00 0.00 C ATOM 1151 O GLN A 78 -13.132 7.063 0.625 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.203 6.231 -2.200 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.681 6.556 -1.962 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.504 6.179 -3.189 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.899 5.774 -4.270 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.732 6.255 -3.159 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.444 4.505 -0.259 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.409 6.492 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.767 6.958 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.107 5.252 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.045 6.013 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.798 7.618 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.203 6.572 -2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.279 6.001 -3.982 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.378 8.401 0.231 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.870 9.436 1.118 1.00 0.00 C ATOM 1167 C ILE A 79 -12.576 10.520 0.327 1.00 0.00 C ATOM 1168 O ILE A 79 -12.002 11.129 -0.578 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.707 10.039 1.901 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.924 8.907 2.564 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.251 10.977 2.980 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.660 9.464 3.217 1.00 0.00 C ATOM 0 H ILE A 79 -10.490 8.612 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.583 8.993 1.813 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.058 10.600 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.544 8.414 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.659 8.153 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.421 11.408 3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.826 11.776 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.894 10.417 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.106 8.652 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.036 9.937 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.935 10.201 3.971 1.00 0.00 H new ATOM 1184 N SER A 80 -13.831 10.748 0.676 1.00 0.00 N ATOM 1185 CA SER A 80 -14.628 11.752 0.004 1.00 0.00 C ATOM 1186 C SER A 80 -14.359 13.123 0.606 1.00 0.00 C ATOM 1187 O SER A 80 -13.715 13.243 1.648 1.00 0.00 O ATOM 1188 CB SER A 80 -16.109 11.409 0.131 1.00 0.00 C ATOM 1189 OG SER A 80 -16.555 11.731 1.439 1.00 0.00 O ATOM 0 H SER A 80 -14.317 10.250 1.421 1.00 0.00 H new ATOM 0 HA SER A 80 -14.356 11.771 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.687 11.962 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.267 10.349 -0.069 1.00 0.00 H new ATOM 0 HG SER A 80 -17.479 11.426 1.554 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.854 14.153 -0.064 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.665 15.522 0.397 1.00 0.00 C ATOM 1197 C GLU A 81 -15.229 15.711 1.803 1.00 0.00 C ATOM 1198 O GLU A 81 -14.854 16.648 2.507 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.359 16.490 -0.564 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.663 16.455 -1.926 1.00 0.00 C ATOM 1201 CD GLU A 81 -13.240 16.987 -1.798 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -12.957 17.634 -0.803 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -12.454 16.744 -2.699 1.00 0.00 O ATOM 0 H GLU A 81 -15.389 14.068 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.595 15.728 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.409 16.217 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.333 17.501 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.645 15.434 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.221 17.055 -2.644 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.137 14.826 2.208 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.739 14.930 3.533 1.00 0.00 C ATOM 1212 C ASP A 82 -15.944 14.121 4.560 1.00 0.00 C ATOM 1213 O ASP A 82 -16.262 14.133 5.749 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.183 14.425 3.485 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.194 12.922 3.242 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.164 12.303 3.454 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.227 12.412 2.845 1.00 0.00 O ATOM 0 H ASP A 82 -16.468 14.041 1.647 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.726 15.977 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.690 14.655 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.731 14.935 2.693 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.903 13.431 4.098 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.066 12.637 4.997 1.00 0.00 C ATOM 1224 C GLY A 83 -14.614 11.226 5.197 1.00 0.00 C ATOM 1225 O GLY A 83 -14.165 10.501 6.086 1.00 0.00 O ATOM 0 H GLY A 83 -14.621 13.405 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.055 12.579 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.995 13.138 5.962 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.571 10.831 4.368 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.143 9.493 4.477 1.00 0.00 C ATOM 1231 C GLU A 84 -15.282 8.479 3.734 1.00 0.00 C ATOM 1232 O GLU A 84 -14.771 8.760 2.649 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.564 9.470 3.912 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.514 10.184 4.876 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.544 9.451 6.212 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.111 8.310 6.247 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.998 10.039 7.179 1.00 0.00 O ATOM 0 H GLU A 84 -15.964 11.407 3.623 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.175 9.225 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.586 9.957 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.889 8.441 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.190 11.214 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.517 10.223 4.450 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.137 7.294 4.314 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.351 6.244 3.683 1.00 0.00 C ATOM 1246 C GLN A 85 -15.261 5.179 3.093 1.00 0.00 C ATOM 1247 O GLN A 85 -16.277 4.816 3.686 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.406 5.592 4.692 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.251 6.541 5.009 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.295 5.874 5.992 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.029 6.190 5.976 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.712 5.035 6.792 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.549 7.038 5.211 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.764 6.702 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.948 5.346 5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.019 4.656 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.722 6.804 4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.635 7.469 5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.702 4.789 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.067 4.586 7.443 1.00 0.00 H new ATOM 1261 N SER A 86 -14.886 4.680 1.925 1.00 0.00 N ATOM 1262 CA SER A 86 -15.668 3.649 1.260 1.00 0.00 C ATOM 1263 C SER A 86 -14.755 2.544 0.757 1.00 0.00 C ATOM 1264 O SER A 86 -13.781 2.808 0.053 1.00 0.00 O ATOM 1265 CB SER A 86 -16.425 4.253 0.079 1.00 0.00 C ATOM 1266 OG SER A 86 -17.218 3.247 -0.535 1.00 0.00 O ATOM 0 H SER A 86 -14.049 4.971 1.420 1.00 0.00 H new ATOM 0 HA SER A 86 -16.378 3.233 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.057 5.073 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.723 4.670 -0.643 1.00 0.00 H new ATOM 0 HG SER A 86 -17.706 3.632 -1.292 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.073 1.308 1.109 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.263 0.188 0.666 1.00 0.00 C ATOM 1274 C LEU A 87 -14.486 -0.045 -0.819 1.00 0.00 C ATOM 1275 O LEU A 87 -15.592 -0.377 -1.249 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.625 -1.074 1.453 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.734 -2.243 1.015 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.328 -2.077 1.598 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.338 -3.559 1.518 1.00 0.00 C ATOM 0 H LEU A 87 -15.873 1.059 1.691 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.212 0.418 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.502 -0.894 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.673 -1.325 1.291 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.672 -2.256 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.702 -2.912 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.894 -1.143 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.385 -2.058 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.706 -4.391 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.402 -3.538 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.336 -3.685 1.098 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.430 0.132 -1.597 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.516 -0.059 -3.035 1.00 0.00 C ATOM 1293 C ILE A 88 -12.802 -1.339 -3.448 1.00 0.00 C ATOM 1294 O ILE A 88 -13.091 -1.905 -4.503 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.877 1.128 -3.760 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.391 1.187 -3.404 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.553 2.434 -3.336 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.711 2.278 -4.230 1.00 0.00 C ATOM 0 H ILE A 88 -12.508 0.406 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.569 -0.133 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.000 1.001 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.269 1.392 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.921 0.223 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.089 3.270 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.613 2.393 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.439 2.570 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.652 2.320 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.821 2.053 -5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.174 3.241 -4.013 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.864 -1.793 -2.621 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.126 -3.009 -2.942 1.00 0.00 C ATOM 1312 C LEU A 89 -10.495 -3.640 -1.704 1.00 0.00 C ATOM 1313 O LEU A 89 -9.719 -3.001 -0.995 1.00 0.00 O ATOM 1314 CB LEU A 89 -10.033 -2.698 -3.963 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.424 -4.008 -4.464 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.438 -4.728 -5.353 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -8.161 -3.707 -5.272 1.00 0.00 C ATOM 0 H LEU A 89 -11.601 -1.348 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.838 -3.722 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.449 -2.134 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.262 -2.075 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.168 -4.641 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.008 -5.663 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.339 -4.941 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.691 -4.094 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.727 -4.641 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.416 -3.076 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.439 -3.190 -4.640 1.00 0.00 H new ATOM 1329 N SER A 90 -10.810 -4.912 -1.476 1.00 0.00 N ATOM 1330 CA SER A 90 -10.249 -5.648 -0.349 1.00 0.00 C ATOM 1331 C SER A 90 -9.653 -6.959 -0.851 1.00 0.00 C ATOM 1332 O SER A 90 -10.323 -7.725 -1.543 1.00 0.00 O ATOM 1333 CB SER A 90 -11.337 -5.932 0.688 1.00 0.00 C ATOM 1334 OG SER A 90 -10.797 -6.727 1.734 1.00 0.00 O ATOM 0 H SER A 90 -11.450 -5.453 -2.057 1.00 0.00 H new ATOM 0 HA SER A 90 -9.468 -5.050 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.724 -4.996 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.175 -6.448 0.220 1.00 0.00 H new ATOM 0 HG SER A 90 -10.588 -6.157 2.503 1.00 0.00 H new ATOM 1340 N THR A 91 -8.389 -7.210 -0.521 1.00 0.00 N ATOM 1341 CA THR A 91 -7.737 -8.430 -0.978 1.00 0.00 C ATOM 1342 C THR A 91 -6.617 -8.842 -0.034 1.00 0.00 C ATOM 1343 O THR A 91 -6.090 -8.023 0.712 1.00 0.00 O ATOM 1344 CB THR A 91 -7.166 -8.210 -2.379 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.911 -9.465 -2.988 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.862 -7.415 -2.283 1.00 0.00 C ATOM 0 H THR A 91 -7.807 -6.597 0.050 1.00 0.00 H new ATOM 0 HA THR A 91 -8.480 -9.227 -0.998 1.00 0.00 H new ATOM 0 HB THR A 91 -7.885 -7.653 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.547 -9.324 -3.887 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.456 -7.259 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.058 -6.450 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.141 -7.969 -1.681 1.00 0.00 H new ATOM 1354 N SER A 92 -6.246 -10.115 -0.086 1.00 0.00 N ATOM 1355 CA SER A 92 -5.172 -10.622 0.759 1.00 0.00 C ATOM 1356 C SER A 92 -4.053 -11.192 -0.103 1.00 0.00 C ATOM 1357 O SER A 92 -4.290 -11.657 -1.218 1.00 0.00 O ATOM 1358 CB SER A 92 -5.701 -11.708 1.698 1.00 0.00 C ATOM 1359 OG SER A 92 -6.115 -12.831 0.932 1.00 0.00 O ATOM 0 H SER A 92 -6.669 -10.811 -0.700 1.00 0.00 H new ATOM 0 HA SER A 92 -4.782 -9.797 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.926 -12.002 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.537 -11.324 2.282 1.00 0.00 H new ATOM 0 HG SER A 92 -6.453 -13.529 1.531 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.834 -11.161 0.420 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.693 -11.686 -0.317 1.00 0.00 C ATOM 1367 C GLN A 93 -0.707 -12.362 0.617 1.00 0.00 C ATOM 1368 O GLN A 93 -0.663 -12.077 1.813 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.964 -10.567 -1.060 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.884 -9.935 -2.102 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.069 -9.008 -2.999 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.213 -8.867 -2.781 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.610 -8.405 -3.925 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.612 -10.783 1.341 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.079 -12.413 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.630 -9.808 -0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.073 -10.964 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.362 -10.711 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.680 -9.376 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.610 -8.518 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.059 -7.793 -4.526 1.00 0.00 H new ATOM 1382 N THR A 94 0.102 -13.241 0.045 1.00 0.00 N ATOM 1383 CA THR A 94 1.117 -13.943 0.809 1.00 0.00 C ATOM 1384 C THR A 94 2.478 -13.682 0.178 1.00 0.00 C ATOM 1385 O THR A 94 2.728 -14.077 -0.960 1.00 0.00 O ATOM 1386 CB THR A 94 0.823 -15.443 0.815 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.568 -15.650 0.611 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.234 -16.039 2.161 1.00 0.00 C ATOM 0 H THR A 94 0.074 -13.484 -0.945 1.00 0.00 H new ATOM 0 HA THR A 94 1.115 -13.585 1.838 1.00 0.00 H new ATOM 0 HB THR A 94 1.386 -15.928 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.759 -16.611 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.024 -17.109 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.300 -15.878 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.671 -15.556 2.960 1.00 0.00 H new ATOM 1396 N THR A 95 3.347 -13.000 0.911 1.00 0.00 N ATOM 1397 CA THR A 95 4.671 -12.676 0.396 1.00 0.00 C ATOM 1398 C THR A 95 5.438 -13.949 0.043 1.00 0.00 C ATOM 1399 O THR A 95 5.137 -14.531 -0.987 1.00 0.00 O ATOM 1400 CB THR A 95 5.452 -11.868 1.434 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.766 -12.701 2.542 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.600 -10.689 1.905 1.00 0.00 C ATOM 1403 OXT THR A 95 6.316 -14.321 0.804 1.00 0.00 O ATOM 0 H THR A 95 3.162 -12.663 1.856 1.00 0.00 H new ATOM 0 HA THR A 95 4.553 -12.080 -0.509 1.00 0.00 H new ATOM 0 HB THR A 95 6.374 -11.494 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.544 -13.631 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.155 -10.112 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.359 -10.052 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.678 -11.062 2.352 1.00 0.00 H new