USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= 0.672 K(o=1.9,f=-3.8!) USER MOD Set 1.2: A 90 SER OG : rot 114:sc= 1.18 USER MOD Set 2.1: A 21 SER OG : rot -19:sc= 0.445! USER MOD Set 2.2: A 62 ASN : amide:sc= -2.07 X(o=-1.6,f=-2!) USER MOD Single : A 20 SER OG : rot -166:sc= -4.28! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -19:sc= 0.96 USER MOD Single : A 34 SER OG : rot -150:sc= -0.146 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -1.34 USER MOD Single : A 50 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.12) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0104 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= 0.152 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.135 USER MOD Single : A 78 GLN : amide:sc= -0.891 K(o=-0.89,f=0) USER MOD Single : A 80 SER OG : rot -179:sc= -5.78! USER MOD Single : A 85 GLN : amide:sc= -8.61! K(o=-8.6!,f=-1.5) 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=-0.000726 USER MOD Single : A 93 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.01) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 7:sc= -1.57! USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.533 -7.998 0.310 1.00 0.00 N ATOM 264 CA SER A 20 8.181 -8.537 0.324 1.00 0.00 C ATOM 265 C SER A 20 7.181 -7.426 0.039 1.00 0.00 C ATOM 266 O SER A 20 6.011 -7.514 0.410 1.00 0.00 O ATOM 267 CB SER A 20 7.883 -9.177 1.681 1.00 0.00 C ATOM 268 OG SER A 20 8.377 -8.339 2.716 1.00 0.00 O ATOM 0 HA SER A 20 8.095 -9.301 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.809 -9.324 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.348 -10.161 1.741 1.00 0.00 H new ATOM 0 HG SER A 20 8.389 -8.835 3.561 1.00 0.00 H new ATOM 274 N SER A 21 7.658 -6.371 -0.616 1.00 0.00 N ATOM 275 CA SER A 21 6.805 -5.236 -0.933 1.00 0.00 C ATOM 276 C SER A 21 5.597 -5.662 -1.758 1.00 0.00 C ATOM 277 O SER A 21 5.716 -6.438 -2.707 1.00 0.00 O ATOM 278 CB SER A 21 7.587 -4.195 -1.729 1.00 0.00 C ATOM 279 OG SER A 21 7.426 -4.462 -3.113 1.00 0.00 O ATOM 0 H SER A 21 8.623 -6.281 -0.934 1.00 0.00 H new ATOM 0 HA SER A 21 6.463 -4.814 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.229 -3.193 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.642 -4.228 -1.459 1.00 0.00 H new ATOM 0 HG SER A 21 7.120 -5.385 -3.235 1.00 0.00 H new ATOM 285 N PHE A 22 4.437 -5.124 -1.397 1.00 0.00 N ATOM 286 CA PHE A 22 3.196 -5.418 -2.107 1.00 0.00 C ATOM 287 C PHE A 22 2.824 -4.276 -3.047 1.00 0.00 C ATOM 288 O PHE A 22 3.065 -3.117 -2.740 1.00 0.00 O ATOM 289 CB PHE A 22 2.049 -5.597 -1.110 1.00 0.00 C ATOM 290 CG PHE A 22 2.037 -6.989 -0.536 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.177 -7.795 -0.586 1.00 0.00 C ATOM 292 CD2 PHE A 22 0.858 -7.476 0.035 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.137 -9.090 -0.063 1.00 0.00 C ATOM 294 CE2 PHE A 22 0.817 -8.768 0.563 1.00 0.00 C ATOM 295 CZ PHE A 22 1.957 -9.578 0.513 1.00 0.00 C ATOM 0 H PHE A 22 4.330 -4.479 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 22 3.353 -6.332 -2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.148 -4.870 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.099 -5.397 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.087 -7.418 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.023 -6.852 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.017 -9.715 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.093 -9.141 1.009 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.927 -10.579 0.918 1.00 0.00 H new ATOM 305 N VAL A 23 2.205 -4.607 -4.169 1.00 0.00 N ATOM 306 CA VAL A 23 1.771 -3.582 -5.110 1.00 0.00 C ATOM 307 C VAL A 23 0.316 -3.817 -5.490 1.00 0.00 C ATOM 308 O VAL A 23 0.008 -4.711 -6.280 1.00 0.00 O ATOM 309 CB VAL A 23 2.632 -3.596 -6.373 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.898 -2.856 -7.489 1.00 0.00 C ATOM 311 CG2 VAL A 23 3.963 -2.894 -6.097 1.00 0.00 C ATOM 0 H VAL A 23 1.993 -5.564 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 23 1.877 -2.610 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 23 2.820 -4.627 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.508 -2.863 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.947 -3.350 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.714 -1.826 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.574 -2.906 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.775 -1.862 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.489 -3.413 -5.296 1.00 0.00 H new ATOM 321 N VAL A 24 -0.579 -3.015 -4.925 1.00 0.00 N ATOM 322 CA VAL A 24 -1.998 -3.160 -5.218 1.00 0.00 C ATOM 323 C VAL A 24 -2.526 -1.946 -5.967 1.00 0.00 C ATOM 324 O VAL A 24 -2.197 -0.805 -5.640 1.00 0.00 O ATOM 325 CB VAL A 24 -2.795 -3.341 -3.927 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.284 -3.477 -4.262 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.324 -4.606 -3.207 1.00 0.00 C ATOM 0 H VAL A 24 -0.351 -2.267 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.118 -4.043 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.640 -2.475 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.854 -3.606 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.625 -2.579 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.434 -4.343 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.893 -4.734 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.478 -5.471 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.264 -4.516 -2.969 1.00 0.00 H new ATOM 337 N SER A 25 -3.358 -2.206 -6.965 1.00 0.00 N ATOM 338 CA SER A 25 -3.949 -1.139 -7.755 1.00 0.00 C ATOM 339 C SER A 25 -5.458 -1.307 -7.796 1.00 0.00 C ATOM 340 O SER A 25 -5.968 -2.423 -7.692 1.00 0.00 O ATOM 341 CB SER A 25 -3.376 -1.153 -9.170 1.00 0.00 C ATOM 342 OG SER A 25 -3.619 -2.421 -9.768 1.00 0.00 O ATOM 0 H SER A 25 -3.638 -3.146 -7.246 1.00 0.00 H new ATOM 0 HA SER A 25 -3.712 -0.180 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.833 -0.364 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.305 -0.951 -9.142 1.00 0.00 H new ATOM 0 HG SER A 25 -3.253 -2.430 -10.677 1.00 0.00 H new ATOM 348 N TRP A 26 -6.176 -0.201 -7.939 1.00 0.00 N ATOM 349 CA TRP A 26 -7.629 -0.264 -7.979 1.00 0.00 C ATOM 350 C TRP A 26 -8.193 0.769 -8.941 1.00 0.00 C ATOM 351 O TRP A 26 -7.467 1.331 -9.761 1.00 0.00 O ATOM 352 CB TRP A 26 -8.193 -0.028 -6.575 1.00 0.00 C ATOM 353 CG TRP A 26 -7.579 1.205 -5.988 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.028 2.466 -6.184 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.418 1.315 -5.113 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.219 3.344 -5.484 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.211 2.682 -4.807 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.536 0.372 -4.560 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.164 3.097 -3.983 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.482 0.785 -3.730 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.297 2.144 -3.441 1.00 0.00 C ATOM 0 H TRP A 26 -5.783 0.736 -8.028 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.922 -1.253 -8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.277 0.080 -6.621 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.985 -0.888 -5.939 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.879 2.743 -6.788 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.350 4.355 -5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.670 -0.678 -4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.025 4.146 -3.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.809 0.051 -3.311 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.485 2.455 -2.800 1.00 0.00 H new ATOM 372 N VAL A 27 -9.492 1.009 -8.838 1.00 0.00 N ATOM 373 CA VAL A 27 -10.149 1.970 -9.704 1.00 0.00 C ATOM 374 C VAL A 27 -11.000 2.921 -8.874 1.00 0.00 C ATOM 375 O VAL A 27 -11.847 2.486 -8.091 1.00 0.00 O ATOM 376 CB VAL A 27 -11.026 1.219 -10.707 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.561 2.189 -11.765 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.190 0.128 -11.382 1.00 0.00 C ATOM 0 H VAL A 27 -10.108 0.552 -8.165 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.400 2.553 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.870 0.768 -10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.184 1.645 -12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.154 2.965 -11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.725 2.648 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.808 -0.413 -12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.347 0.584 -11.901 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.819 -0.565 -10.627 1.00 0.00 H new ATOM 388 N SER A 28 -10.772 4.217 -9.042 1.00 0.00 N ATOM 389 CA SER A 28 -11.529 5.214 -8.292 1.00 0.00 C ATOM 390 C SER A 28 -13.016 4.880 -8.315 1.00 0.00 C ATOM 391 O SER A 28 -13.642 4.867 -9.375 1.00 0.00 O ATOM 392 CB SER A 28 -11.320 6.601 -8.896 1.00 0.00 C ATOM 393 OG SER A 28 -12.200 6.759 -10.001 1.00 0.00 O ATOM 0 H SER A 28 -10.078 4.601 -9.683 1.00 0.00 H new ATOM 0 HA SER A 28 -11.173 5.207 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.512 7.371 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.285 6.720 -9.218 1.00 0.00 H new ATOM 0 HG SER A 28 -12.506 5.879 -10.304 1.00 0.00 H new ATOM 446 N VAL A 33 -13.680 11.714 -4.593 1.00 0.00 N ATOM 447 CA VAL A 33 -12.671 11.343 -3.614 1.00 0.00 C ATOM 448 C VAL A 33 -11.631 12.444 -3.466 1.00 0.00 C ATOM 449 O VAL A 33 -11.183 13.025 -4.454 1.00 0.00 O ATOM 450 CB VAL A 33 -11.988 10.044 -4.050 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.601 10.124 -5.527 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.725 9.824 -3.220 1.00 0.00 C ATOM 0 HA VAL A 33 -13.159 11.197 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.681 9.216 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.116 9.195 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.496 10.277 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.915 10.957 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.241 8.899 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.041 10.660 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.990 9.756 -2.165 1.00 0.00 H new ATOM 462 N SER A 34 -11.251 12.720 -2.223 1.00 0.00 N ATOM 463 CA SER A 34 -10.254 13.746 -1.946 1.00 0.00 C ATOM 464 C SER A 34 -8.885 13.096 -1.797 1.00 0.00 C ATOM 465 O SER A 34 -7.851 13.762 -1.855 1.00 0.00 O ATOM 466 CB SER A 34 -10.610 14.495 -0.660 1.00 0.00 C ATOM 467 OG SER A 34 -11.675 15.398 -0.921 1.00 0.00 O ATOM 0 H SER A 34 -11.617 12.250 -1.395 1.00 0.00 H new ATOM 0 HA SER A 34 -10.234 14.455 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.900 13.788 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.740 15.038 -0.289 1.00 0.00 H new ATOM 0 HG SER A 34 -11.602 16.171 -0.323 1.00 0.00 H new ATOM 473 N GLY A 35 -8.898 11.783 -1.610 1.00 0.00 N ATOM 474 CA GLY A 35 -7.671 11.018 -1.458 1.00 0.00 C ATOM 475 C GLY A 35 -8.001 9.552 -1.198 1.00 0.00 C ATOM 476 O GLY A 35 -9.168 9.184 -1.081 1.00 0.00 O ATOM 0 H GLY A 35 -9.750 11.225 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.062 11.109 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.082 11.419 -0.633 1.00 0.00 H new ATOM 480 N PHE A 36 -6.971 8.723 -1.097 1.00 0.00 N ATOM 481 CA PHE A 36 -7.174 7.301 -0.834 1.00 0.00 C ATOM 482 C PHE A 36 -6.384 6.867 0.389 1.00 0.00 C ATOM 483 O PHE A 36 -5.351 7.445 0.708 1.00 0.00 O ATOM 484 CB PHE A 36 -6.721 6.463 -2.032 1.00 0.00 C ATOM 485 CG PHE A 36 -7.680 6.638 -3.180 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.831 5.844 -3.260 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.412 7.586 -4.170 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.715 6.001 -4.334 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.293 7.744 -5.241 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.447 6.952 -5.326 1.00 0.00 C ATOM 0 H PHE A 36 -5.995 9.004 -1.192 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.238 7.144 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.718 6.763 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.667 5.411 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.036 5.111 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.523 8.197 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.603 5.389 -4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.085 8.478 -6.006 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.128 7.075 -6.155 1.00 0.00 H new ATOM 500 N ARG A 37 -6.865 5.831 1.058 1.00 0.00 N ATOM 501 CA ARG A 37 -6.169 5.320 2.224 1.00 0.00 C ATOM 502 C ARG A 37 -6.045 3.813 2.126 1.00 0.00 C ATOM 503 O ARG A 37 -7.017 3.116 1.834 1.00 0.00 O ATOM 504 CB ARG A 37 -6.906 5.680 3.511 1.00 0.00 C ATOM 505 CG ARG A 37 -5.991 5.370 4.699 1.00 0.00 C ATOM 506 CD ARG A 37 -6.740 5.594 6.011 1.00 0.00 C ATOM 507 NE ARG A 37 -7.642 4.477 6.272 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.272 4.361 7.434 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.107 5.268 8.357 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.057 3.342 7.654 1.00 0.00 N ATOM 0 H ARG A 37 -7.723 5.334 0.817 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.180 5.777 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.179 6.735 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.833 5.111 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.644 4.338 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.107 6.006 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.029 5.697 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.306 6.524 5.961 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.791 3.773 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.494 6.065 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.591 5.180 9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.187 2.633 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.541 3.254 8.548 1.00 0.00 H new ATOM 524 N VAL A 38 -4.845 3.312 2.367 1.00 0.00 N ATOM 525 CA VAL A 38 -4.616 1.878 2.297 1.00 0.00 C ATOM 526 C VAL A 38 -4.299 1.321 3.675 1.00 0.00 C ATOM 527 O VAL A 38 -3.510 1.899 4.423 1.00 0.00 O ATOM 528 CB VAL A 38 -3.464 1.577 1.343 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.413 0.073 1.054 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.672 2.342 0.037 1.00 0.00 C ATOM 0 H VAL A 38 -4.025 3.867 2.610 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.524 1.402 1.926 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.525 1.887 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.589 -0.139 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.262 -0.472 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.352 -0.242 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.849 2.128 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.612 2.033 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.703 3.412 0.243 1.00 0.00 H new ATOM 540 N GLU A 39 -4.920 0.200 4.004 1.00 0.00 N ATOM 541 CA GLU A 39 -4.696 -0.422 5.298 1.00 0.00 C ATOM 542 C GLU A 39 -4.299 -1.876 5.127 1.00 0.00 C ATOM 543 O GLU A 39 -4.928 -2.614 4.368 1.00 0.00 O ATOM 544 CB GLU A 39 -5.969 -0.350 6.138 1.00 0.00 C ATOM 545 CG GLU A 39 -5.672 -0.842 7.555 1.00 0.00 C ATOM 546 CD GLU A 39 -6.976 -1.041 8.321 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.800 -0.140 8.295 1.00 0.00 O ATOM 548 OE2 GLU A 39 -7.132 -2.094 8.919 1.00 0.00 O ATOM 0 H GLU A 39 -5.577 -0.294 3.400 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.891 0.114 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.341 0.674 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.751 -0.960 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.117 -1.779 7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.041 -0.121 8.075 1.00 0.00 H new ATOM 555 N TYR A 40 -3.259 -2.291 5.841 1.00 0.00 N ATOM 556 CA TYR A 40 -2.809 -3.670 5.753 1.00 0.00 C ATOM 557 C TYR A 40 -2.323 -4.192 7.100 1.00 0.00 C ATOM 558 O TYR A 40 -1.698 -3.470 7.878 1.00 0.00 O ATOM 559 CB TYR A 40 -1.692 -3.796 4.714 1.00 0.00 C ATOM 560 CG TYR A 40 -0.670 -2.711 4.939 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.968 -1.391 4.582 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.575 -3.023 5.497 1.00 0.00 C ATOM 563 CE1 TYR A 40 -0.022 -0.381 4.785 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.523 -2.013 5.700 1.00 0.00 C ATOM 565 CZ TYR A 40 1.224 -0.692 5.345 1.00 0.00 C ATOM 566 OH TYR A 40 2.157 0.301 5.541 1.00 0.00 O ATOM 0 H TYR A 40 -2.721 -1.702 6.476 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.662 -4.275 5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.220 -4.776 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.106 -3.718 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.928 -1.152 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.804 -4.042 5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.252 0.638 4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.484 -2.253 6.130 1.00 0.00 H new ATOM 0 HH TYR A 40 2.966 -0.084 5.939 1.00 0.00 H new ATOM 576 N GLU A 41 -2.611 -5.461 7.354 1.00 0.00 N ATOM 577 CA GLU A 41 -2.204 -6.108 8.588 1.00 0.00 C ATOM 578 C GLU A 41 -1.992 -7.593 8.326 1.00 0.00 C ATOM 579 O GLU A 41 -2.445 -8.120 7.309 1.00 0.00 O ATOM 580 CB GLU A 41 -3.274 -5.914 9.663 1.00 0.00 C ATOM 581 CG GLU A 41 -4.419 -6.898 9.419 1.00 0.00 C ATOM 582 CD GLU A 41 -5.554 -6.642 10.404 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.376 -5.816 11.283 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.587 -7.276 10.261 1.00 0.00 O ATOM 0 H GLU A 41 -3.129 -6.064 6.715 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.274 -5.663 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.845 -6.075 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.648 -4.890 9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.785 -6.795 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.058 -7.921 9.527 1.00 0.00 H new ATOM 591 N LEU A 42 -1.306 -8.272 9.235 1.00 0.00 N ATOM 592 CA LEU A 42 -1.060 -9.698 9.059 1.00 0.00 C ATOM 593 C LEU A 42 -2.325 -10.503 9.321 1.00 0.00 C ATOM 594 O LEU A 42 -2.943 -10.387 10.379 1.00 0.00 O ATOM 595 CB LEU A 42 0.054 -10.163 9.998 1.00 0.00 C ATOM 596 CG LEU A 42 1.376 -9.551 9.540 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.460 -9.812 10.588 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.785 -10.191 8.212 1.00 0.00 C ATOM 0 H LEU A 42 -0.916 -7.869 10.087 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.751 -9.863 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.166 -9.861 11.022 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.121 -11.251 9.994 1.00 0.00 H new ATOM 0 HG LEU A 42 1.256 -8.475 9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.401 -9.373 10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.165 -9.363 11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.588 -10.886 10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.728 -9.761 7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.904 -11.266 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.014 -10.003 7.465 1.00 0.00 H new ATOM 610 N SER A 43 -2.701 -11.320 8.345 1.00 0.00 N ATOM 611 CA SER A 43 -3.895 -12.152 8.465 1.00 0.00 C ATOM 612 C SER A 43 -3.726 -13.166 9.589 1.00 0.00 C ATOM 613 O SER A 43 -4.686 -13.534 10.267 1.00 0.00 O ATOM 614 CB SER A 43 -4.127 -12.907 7.154 1.00 0.00 C ATOM 615 OG SER A 43 -3.282 -14.047 7.116 1.00 0.00 O ATOM 0 H SER A 43 -2.199 -11.425 7.463 1.00 0.00 H new ATOM 0 HA SER A 43 -4.746 -11.507 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.171 -13.211 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.919 -12.257 6.304 1.00 0.00 H new ATOM 0 HG SER A 43 -3.829 -14.857 7.046 1.00 0.00 H new ATOM 621 N GLU A 44 -2.496 -13.621 9.764 1.00 0.00 N ATOM 622 CA GLU A 44 -2.184 -14.610 10.783 1.00 0.00 C ATOM 623 C GLU A 44 -1.887 -13.955 12.126 1.00 0.00 C ATOM 624 O GLU A 44 -2.663 -14.068 13.076 1.00 0.00 O ATOM 625 CB GLU A 44 -0.961 -15.414 10.339 1.00 0.00 C ATOM 626 CG GLU A 44 -1.297 -16.200 9.070 1.00 0.00 C ATOM 627 CD GLU A 44 -0.057 -16.928 8.565 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.985 -16.776 9.179 1.00 0.00 O ATOM 629 OE2 GLU A 44 -0.166 -17.620 7.566 1.00 0.00 O ATOM 0 H GLU A 44 -1.694 -13.320 9.211 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.051 -15.260 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.121 -14.745 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.655 -16.097 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.091 -16.917 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.670 -15.523 8.301 1.00 0.00 H new ATOM 685 N PRO A 49 -2.395 -2.782 12.498 1.00 0.00 N ATOM 686 CA PRO A 49 -2.699 -2.260 11.140 1.00 0.00 C ATOM 687 C PRO A 49 -1.892 -1.003 10.821 1.00 0.00 C ATOM 688 O PRO A 49 -1.560 -0.223 11.713 1.00 0.00 O ATOM 689 CB PRO A 49 -4.199 -1.949 11.173 1.00 0.00 C ATOM 690 CG PRO A 49 -4.578 -1.881 12.617 1.00 0.00 C ATOM 691 CD PRO A 49 -3.560 -2.718 13.390 1.00 0.00 C ATOM 0 HA PRO A 49 -2.436 -2.980 10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.412 -1.006 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.768 -2.722 10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.574 -0.849 12.968 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.587 -2.265 12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.306 -2.256 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.948 -3.713 13.611 1.00 0.00 H new ATOM 699 N GLN A 50 -1.590 -0.812 9.543 1.00 0.00 N ATOM 700 CA GLN A 50 -0.833 0.357 9.106 1.00 0.00 C ATOM 701 C GLN A 50 -1.660 1.137 8.094 1.00 0.00 C ATOM 702 O GLN A 50 -2.492 0.556 7.403 1.00 0.00 O ATOM 703 CB GLN A 50 0.493 -0.082 8.484 1.00 0.00 C ATOM 704 CG GLN A 50 1.390 -0.671 9.573 1.00 0.00 C ATOM 705 CD GLN A 50 2.252 -1.791 9.001 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.280 -1.531 8.377 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.890 -3.033 9.181 1.00 0.00 N ATOM 0 H GLN A 50 -1.856 -1.449 8.792 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.617 0.995 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.315 -0.822 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.985 0.768 8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.026 0.109 9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.778 -1.055 10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.037 -3.246 9.699 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.460 -3.790 8.804 1.00 0.00 H new ATOM 716 N TYR A 51 -1.461 2.449 8.021 1.00 0.00 N ATOM 717 CA TYR A 51 -2.246 3.255 7.093 1.00 0.00 C ATOM 718 C TYR A 51 -1.367 4.104 6.178 1.00 0.00 C ATOM 719 O TYR A 51 -0.382 4.699 6.614 1.00 0.00 O ATOM 720 CB TYR A 51 -3.172 4.177 7.886 1.00 0.00 C ATOM 721 CG TYR A 51 -3.858 3.381 8.965 1.00 0.00 C ATOM 722 CD1 TYR A 51 -4.927 2.538 8.647 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.417 3.484 10.289 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.558 1.797 9.655 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.045 2.745 11.296 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.115 1.901 10.982 1.00 0.00 C ATOM 727 OH TYR A 51 -5.734 1.176 11.980 1.00 0.00 O ATOM 0 H TYR A 51 -0.781 2.967 8.578 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.819 2.571 6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.601 4.994 8.327 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.911 4.627 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.266 2.458 7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.591 4.135 10.533 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.385 1.146 9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.703 2.826 12.317 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.301 1.365 12.839 1.00 0.00 H new ATOM 737 N LEU A 52 -1.765 4.178 4.910 1.00 0.00 N ATOM 738 CA LEU A 52 -1.054 4.982 3.921 1.00 0.00 C ATOM 739 C LEU A 52 -2.046 5.878 3.192 1.00 0.00 C ATOM 740 O LEU A 52 -3.080 5.409 2.722 1.00 0.00 O ATOM 741 CB LEU A 52 -0.339 4.079 2.918 1.00 0.00 C ATOM 742 CG LEU A 52 0.738 3.274 3.640 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.292 2.205 2.697 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.871 4.212 4.067 1.00 0.00 C ATOM 0 H LEU A 52 -2.581 3.688 4.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.310 5.596 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.054 3.407 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.109 4.679 2.126 1.00 0.00 H new ATOM 0 HG LEU A 52 0.308 2.796 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.061 1.629 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.486 1.539 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.724 2.684 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.642 3.640 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.301 4.688 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.477 4.977 4.737 1.00 0.00 H new ATOM 756 N ASP A 53 -1.737 7.168 3.110 1.00 0.00 N ATOM 757 CA ASP A 53 -2.637 8.106 2.447 1.00 0.00 C ATOM 758 C ASP A 53 -2.107 8.538 1.082 1.00 0.00 C ATOM 759 O ASP A 53 -0.932 8.878 0.933 1.00 0.00 O ATOM 760 CB ASP A 53 -2.840 9.336 3.324 1.00 0.00 C ATOM 761 CG ASP A 53 -3.327 8.915 4.707 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.319 8.209 4.771 1.00 0.00 O ATOM 763 OD2 ASP A 53 -2.700 9.300 5.678 1.00 0.00 O ATOM 0 H ASP A 53 -0.885 7.583 3.487 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.587 7.595 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.905 9.889 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.565 10.006 2.862 1.00 0.00 H new ATOM 768 N LEU A 54 -2.996 8.532 0.091 1.00 0.00 N ATOM 769 CA LEU A 54 -2.641 8.929 -1.267 1.00 0.00 C ATOM 770 C LEU A 54 -3.650 9.957 -1.784 1.00 0.00 C ATOM 771 O LEU A 54 -4.790 10.002 -1.322 1.00 0.00 O ATOM 772 CB LEU A 54 -2.663 7.705 -2.190 1.00 0.00 C ATOM 773 CG LEU A 54 -2.115 6.481 -1.458 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.434 5.226 -2.271 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.598 6.608 -1.302 1.00 0.00 C ATOM 0 H LEU A 54 -3.971 8.255 0.205 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.641 9.364 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.682 7.511 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.067 7.902 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.575 6.412 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.045 4.349 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.514 5.131 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.971 5.302 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.211 5.733 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.135 6.676 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.365 7.505 -0.729 1.00 0.00 H new ATOM 787 N PRO A 55 -3.264 10.770 -2.732 1.00 0.00 N ATOM 788 CA PRO A 55 -4.172 11.798 -3.315 1.00 0.00 C ATOM 789 C PRO A 55 -5.311 11.166 -4.123 1.00 0.00 C ATOM 790 O PRO A 55 -5.220 10.012 -4.541 1.00 0.00 O ATOM 791 CB PRO A 55 -3.265 12.652 -4.208 1.00 0.00 C ATOM 792 CG PRO A 55 -2.017 11.860 -4.437 1.00 0.00 C ATOM 793 CD PRO A 55 -1.926 10.798 -3.343 1.00 0.00 C ATOM 0 HA PRO A 55 -4.666 12.385 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.757 12.880 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.037 13.604 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.037 11.393 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.143 12.510 -4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.660 9.825 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.161 11.051 -2.609 1.00 0.00 H new ATOM 801 N SER A 56 -6.380 11.933 -4.328 1.00 0.00 N ATOM 802 CA SER A 56 -7.538 11.440 -5.079 1.00 0.00 C ATOM 803 C SER A 56 -7.132 10.961 -6.469 1.00 0.00 C ATOM 804 O SER A 56 -7.911 10.307 -7.160 1.00 0.00 O ATOM 805 CB SER A 56 -8.597 12.535 -5.210 1.00 0.00 C ATOM 806 OG SER A 56 -7.986 13.726 -5.691 1.00 0.00 O ATOM 0 H SER A 56 -6.471 12.891 -3.989 1.00 0.00 H new ATOM 0 HA SER A 56 -7.953 10.597 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.384 12.215 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.068 12.719 -4.244 1.00 0.00 H new ATOM 0 HG SER A 56 -8.663 14.429 -5.778 1.00 0.00 H new ATOM 812 N THR A 57 -5.914 11.292 -6.882 1.00 0.00 N ATOM 813 CA THR A 57 -5.436 10.880 -8.195 1.00 0.00 C ATOM 814 C THR A 57 -4.665 9.569 -8.096 1.00 0.00 C ATOM 815 O THR A 57 -4.284 8.982 -9.109 1.00 0.00 O ATOM 816 CB THR A 57 -4.536 11.965 -8.782 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.343 12.050 -8.016 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.262 13.310 -8.745 1.00 0.00 C ATOM 0 H THR A 57 -5.248 11.837 -6.335 1.00 0.00 H new ATOM 0 HA THR A 57 -6.296 10.731 -8.847 1.00 0.00 H new ATOM 0 HB THR A 57 -4.292 11.716 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.762 12.744 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.618 14.083 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.179 13.245 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.508 13.563 -7.714 1.00 0.00 H new ATOM 826 N ALA A 58 -4.432 9.113 -6.870 1.00 0.00 N ATOM 827 CA ALA A 58 -3.703 7.869 -6.660 1.00 0.00 C ATOM 828 C ALA A 58 -4.623 6.677 -6.875 1.00 0.00 C ATOM 829 O ALA A 58 -5.719 6.619 -6.319 1.00 0.00 O ATOM 830 CB ALA A 58 -3.136 7.823 -5.241 1.00 0.00 C ATOM 0 H ALA A 58 -4.734 9.581 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.883 7.824 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.593 6.889 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.458 8.663 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.952 7.884 -4.521 1.00 0.00 H new ATOM 836 N THR A 59 -4.175 5.722 -7.681 1.00 0.00 N ATOM 837 CA THR A 59 -4.978 4.539 -7.949 1.00 0.00 C ATOM 838 C THR A 59 -4.151 3.267 -7.766 1.00 0.00 C ATOM 839 O THR A 59 -4.578 2.180 -8.154 1.00 0.00 O ATOM 840 CB THR A 59 -5.544 4.600 -9.369 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.500 4.908 -10.278 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.630 5.679 -9.446 1.00 0.00 C ATOM 0 H THR A 59 -3.272 5.743 -8.154 1.00 0.00 H new ATOM 0 HA THR A 59 -5.803 4.515 -7.237 1.00 0.00 H new ATOM 0 HB THR A 59 -5.979 3.635 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.860 4.946 -11.189 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.031 5.720 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.432 5.439 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.201 6.647 -9.186 1.00 0.00 H new ATOM 850 N SER A 60 -2.973 3.409 -7.161 1.00 0.00 N ATOM 851 CA SER A 60 -2.102 2.263 -6.915 1.00 0.00 C ATOM 852 C SER A 60 -1.022 2.639 -5.906 1.00 0.00 C ATOM 853 O SER A 60 -0.598 3.793 -5.849 1.00 0.00 O ATOM 854 CB SER A 60 -1.461 1.790 -8.222 1.00 0.00 C ATOM 855 OG SER A 60 -0.490 2.739 -8.642 1.00 0.00 O ATOM 0 H SER A 60 -2.602 4.301 -6.834 1.00 0.00 H new ATOM 0 HA SER A 60 -2.701 1.448 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.995 0.815 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.224 1.669 -8.991 1.00 0.00 H new ATOM 0 HG SER A 60 -0.077 2.437 -9.478 1.00 0.00 H new ATOM 861 N VAL A 61 -0.598 1.674 -5.093 1.00 0.00 N ATOM 862 CA VAL A 61 0.415 1.954 -4.079 1.00 0.00 C ATOM 863 C VAL A 61 1.273 0.729 -3.782 1.00 0.00 C ATOM 864 O VAL A 61 0.794 -0.404 -3.811 1.00 0.00 O ATOM 865 CB VAL A 61 -0.269 2.399 -2.786 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.895 1.181 -2.099 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.759 3.044 -1.855 1.00 0.00 C ATOM 0 H VAL A 61 -0.932 0.710 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 61 1.062 2.741 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.047 3.126 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.384 1.495 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.631 0.727 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.117 0.454 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.268 3.360 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.541 2.322 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.202 3.911 -2.346 1.00 0.00 H new ATOM 877 N ASN A 62 2.538 0.974 -3.461 1.00 0.00 N ATOM 878 CA ASN A 62 3.450 -0.106 -3.118 1.00 0.00 C ATOM 879 C ASN A 62 3.729 -0.069 -1.615 1.00 0.00 C ATOM 880 O ASN A 62 4.082 0.977 -1.071 1.00 0.00 O ATOM 881 CB ASN A 62 4.759 0.027 -3.902 1.00 0.00 C ATOM 882 CG ASN A 62 5.696 -1.126 -3.553 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.907 -0.931 -3.452 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.208 -2.325 -3.368 1.00 0.00 N ATOM 0 H ASN A 62 2.952 1.906 -3.432 1.00 0.00 H new ATOM 0 HA ASN A 62 2.992 -1.059 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.553 0.028 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.237 0.978 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.831 -3.100 -3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.204 -2.486 -3.452 1.00 0.00 H new ATOM 891 N ILE A 63 3.548 -1.202 -0.947 1.00 0.00 N ATOM 892 CA ILE A 63 3.766 -1.268 0.492 1.00 0.00 C ATOM 893 C ILE A 63 5.111 -1.916 0.816 1.00 0.00 C ATOM 894 O ILE A 63 5.259 -3.129 0.695 1.00 0.00 O ATOM 895 CB ILE A 63 2.642 -2.073 1.138 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.313 -1.724 0.453 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.569 -1.729 2.625 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.149 -2.087 1.372 1.00 0.00 C ATOM 0 H ILE A 63 3.253 -2.080 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 63 3.772 -0.252 0.887 1.00 0.00 H new ATOM 0 HB ILE A 63 2.835 -3.140 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.283 -0.661 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.226 -2.264 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.767 -2.301 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.517 -1.976 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.370 -0.664 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.792 -1.838 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.175 -3.155 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.233 -1.527 2.304 1.00 0.00 H new ATOM 910 N PRO A 64 6.088 -1.141 1.224 1.00 0.00 N ATOM 911 CA PRO A 64 7.435 -1.656 1.565 1.00 0.00 C ATOM 912 C PRO A 64 7.549 -2.088 3.026 1.00 0.00 C ATOM 913 O PRO A 64 6.626 -1.914 3.823 1.00 0.00 O ATOM 914 CB PRO A 64 8.336 -0.457 1.282 1.00 0.00 C ATOM 915 CG PRO A 64 7.495 0.742 1.584 1.00 0.00 C ATOM 916 CD PRO A 64 6.027 0.318 1.409 1.00 0.00 C ATOM 0 HA PRO A 64 7.692 -2.550 0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.229 -0.479 1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.672 -0.452 0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.676 1.094 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.741 1.565 0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.430 0.583 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.571 0.809 0.549 1.00 0.00 H new ATOM 924 N ASP A 65 8.705 -2.640 3.353 1.00 0.00 N ATOM 925 CA ASP A 65 9.000 -3.101 4.706 1.00 0.00 C ATOM 926 C ASP A 65 8.028 -4.191 5.165 1.00 0.00 C ATOM 927 O ASP A 65 7.636 -4.228 6.331 1.00 0.00 O ATOM 928 CB ASP A 65 8.938 -1.918 5.677 1.00 0.00 C ATOM 929 CG ASP A 65 9.989 -0.879 5.296 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.996 -1.267 4.729 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.771 0.288 5.575 1.00 0.00 O ATOM 0 H ASP A 65 9.468 -2.783 2.691 1.00 0.00 H new ATOM 0 HA ASP A 65 10.002 -3.530 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.945 -1.469 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.108 -2.264 6.697 1.00 0.00 H new ATOM 936 N LEU A 66 7.669 -5.091 4.255 1.00 0.00 N ATOM 937 CA LEU A 66 6.770 -6.195 4.593 1.00 0.00 C ATOM 938 C LEU A 66 7.581 -7.391 5.095 1.00 0.00 C ATOM 939 O LEU A 66 8.748 -7.543 4.741 1.00 0.00 O ATOM 940 CB LEU A 66 5.938 -6.599 3.374 1.00 0.00 C ATOM 941 CG LEU A 66 5.121 -5.399 2.889 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.183 -5.841 1.763 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.291 -4.844 4.049 1.00 0.00 C ATOM 0 H LEU A 66 7.983 -5.081 3.284 1.00 0.00 H new ATOM 0 HA LEU A 66 6.093 -5.867 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.591 -6.953 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.274 -7.424 3.632 1.00 0.00 H new ATOM 0 HG LEU A 66 5.796 -4.627 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.601 -4.986 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.770 -6.239 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.509 -6.613 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.709 -3.989 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.617 -5.617 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.955 -4.529 4.854 1.00 0.00 H new ATOM 955 N LEU A 67 6.963 -8.233 5.925 1.00 0.00 N ATOM 956 CA LEU A 67 7.642 -9.404 6.471 1.00 0.00 C ATOM 957 C LEU A 67 7.438 -10.627 5.563 1.00 0.00 C ATOM 958 O LEU A 67 6.334 -11.162 5.481 1.00 0.00 O ATOM 959 CB LEU A 67 7.072 -9.717 7.858 1.00 0.00 C ATOM 960 CG LEU A 67 7.470 -8.622 8.853 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.557 -8.697 10.079 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.923 -8.821 9.296 1.00 0.00 C ATOM 0 H LEU A 67 5.996 -8.124 6.232 1.00 0.00 H new ATOM 0 HA LEU A 67 8.708 -9.187 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.986 -9.792 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.442 -10.683 8.202 1.00 0.00 H new ATOM 0 HG LEU A 67 7.370 -7.649 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.837 -7.919 10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.522 -8.551 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.661 -9.674 10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.198 -8.039 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.028 -9.795 9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.579 -8.771 8.427 1.00 0.00 H new ATOM 974 N PRO A 68 8.475 -11.087 4.896 1.00 0.00 N ATOM 975 CA PRO A 68 8.384 -12.282 4.002 1.00 0.00 C ATOM 976 C PRO A 68 7.921 -13.532 4.753 1.00 0.00 C ATOM 977 O PRO A 68 8.260 -13.726 5.920 1.00 0.00 O ATOM 978 CB PRO A 68 9.810 -12.488 3.482 1.00 0.00 C ATOM 979 CG PRO A 68 10.552 -11.224 3.766 1.00 0.00 C ATOM 980 CD PRO A 68 9.830 -10.520 4.915 1.00 0.00 C ATOM 0 HA PRO A 68 7.654 -12.121 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.284 -13.336 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.806 -12.704 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.586 -11.438 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.579 -10.587 2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.325 -10.705 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.811 -9.440 4.770 1.00 0.00 H new ATOM 988 N GLY A 69 7.150 -14.377 4.074 1.00 0.00 N ATOM 989 CA GLY A 69 6.655 -15.605 4.688 1.00 0.00 C ATOM 990 C GLY A 69 5.443 -15.317 5.565 1.00 0.00 C ATOM 991 O GLY A 69 5.078 -16.118 6.423 1.00 0.00 O ATOM 0 H GLY A 69 6.857 -14.236 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.387 -16.323 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.443 -16.062 5.287 1.00 0.00 H new ATOM 995 N ARG A 70 4.834 -14.158 5.348 1.00 0.00 N ATOM 996 CA ARG A 70 3.671 -13.756 6.126 1.00 0.00 C ATOM 997 C ARG A 70 2.531 -13.334 5.207 1.00 0.00 C ATOM 998 O ARG A 70 2.766 -12.788 4.128 1.00 0.00 O ATOM 999 CB ARG A 70 4.060 -12.592 7.030 1.00 0.00 C ATOM 1000 CG ARG A 70 5.305 -12.968 7.822 1.00 0.00 C ATOM 1001 CD ARG A 70 4.899 -13.799 9.032 1.00 0.00 C ATOM 1002 NE ARG A 70 4.786 -12.939 10.205 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.814 -12.200 10.620 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.977 -12.305 10.033 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.663 -11.380 11.624 1.00 0.00 N ATOM 0 H ARG A 70 5.126 -13.482 4.642 1.00 0.00 H new ATOM 0 HA ARG A 70 3.333 -14.600 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.250 -11.700 6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.241 -12.353 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.994 -13.532 7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.831 -12.069 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.948 -14.296 8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.637 -14.581 9.212 1.00 0.00 H new ATOM 0 HE ARG A 70 3.904 -12.903 10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.099 -12.954 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.763 -11.738 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.759 -11.305 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.449 -10.814 11.943 1.00 0.00 H new ATOM 1019 N LYS A 71 1.295 -13.578 5.637 1.00 0.00 N ATOM 1020 CA LYS A 71 0.142 -13.204 4.837 1.00 0.00 C ATOM 1021 C LYS A 71 -0.437 -11.883 5.322 1.00 0.00 C ATOM 1022 O LYS A 71 -0.604 -11.666 6.524 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.937 -14.287 4.910 1.00 0.00 C ATOM 1024 CG LYS A 71 -1.938 -14.073 3.772 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.115 -15.035 3.935 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.022 -14.944 2.704 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.012 -16.056 2.734 1.00 0.00 N ATOM 0 H LYS A 71 1.072 -14.028 6.525 1.00 0.00 H new ATOM 0 HA LYS A 71 0.471 -13.095 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.484 -15.275 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.447 -14.246 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.294 -13.043 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.451 -14.238 2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.751 -16.055 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.679 -14.788 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.538 -13.984 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.425 -14.999 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.628 -15.995 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.511 -16.967 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.589 -15.984 3.596 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.748 -11.010 4.380 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.320 -9.710 4.708 1.00 0.00 C ATOM 1043 C TYR A 72 -2.681 -9.521 4.052 1.00 0.00 C ATOM 1044 O TYR A 72 -2.955 -10.062 2.981 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.420 -8.578 4.218 1.00 0.00 C ATOM 1046 CG TYR A 72 0.828 -8.476 5.054 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.904 -9.332 4.810 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.917 -7.506 6.062 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.069 -9.223 5.574 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.085 -7.396 6.826 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.161 -8.256 6.580 1.00 0.00 C ATOM 1052 OH TYR A 72 4.313 -8.151 7.330 1.00 0.00 O ATOM 0 H TYR A 72 -0.615 -11.175 3.382 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.418 -9.681 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.150 -8.749 3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.964 -7.634 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.836 -10.078 4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.085 -6.844 6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.900 -9.887 5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.155 -6.649 7.603 1.00 0.00 H new ATOM 0 HH TYR A 72 4.212 -7.429 7.985 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.506 -8.698 4.685 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.818 -8.366 4.154 1.00 0.00 C ATOM 1064 C ILE A 73 -4.795 -6.904 3.746 1.00 0.00 C ATOM 1065 O ILE A 73 -4.336 -6.061 4.508 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.898 -8.605 5.210 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.882 -10.078 5.609 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.273 -8.238 4.644 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.884 -10.312 6.740 1.00 0.00 C ATOM 0 H ILE A 73 -3.286 -8.246 5.573 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.049 -8.997 3.296 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.700 -7.983 6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.134 -10.701 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.881 -10.368 5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.037 -8.411 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.279 -7.187 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.483 -8.855 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.872 -11.364 7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.611 -9.700 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.884 -10.039 6.403 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.254 -6.603 2.543 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.230 -5.223 2.071 1.00 0.00 C ATOM 1083 C VAL A 74 -6.633 -4.705 1.790 1.00 0.00 C ATOM 1084 O VAL A 74 -7.444 -5.376 1.152 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.391 -5.121 0.794 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.139 -3.647 0.468 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -3.053 -5.835 1.002 1.00 0.00 C ATOM 0 H VAL A 74 -5.641 -7.278 1.884 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.788 -4.612 2.858 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.926 -5.590 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.542 -3.572 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.092 -3.139 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.603 -3.178 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.456 -5.762 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.516 -5.368 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.233 -6.885 1.235 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.897 -3.492 2.255 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.187 -2.860 2.039 1.00 0.00 C ATOM 1099 C ASN A 75 -7.974 -1.414 1.615 1.00 0.00 C ATOM 1100 O ASN A 75 -7.315 -0.645 2.317 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.021 -2.904 3.320 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.036 -4.317 3.890 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.832 -5.152 3.462 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.190 -4.636 4.829 1.00 0.00 N ATOM 0 H ASN A 75 -6.233 -2.927 2.785 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.721 -3.398 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.609 -2.212 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.040 -2.578 3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.186 -5.581 5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.532 -3.940 5.181 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.521 -1.045 0.467 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.360 0.318 -0.018 1.00 0.00 C ATOM 1113 C VAL A 76 -9.635 1.117 0.202 1.00 0.00 C ATOM 1114 O VAL A 76 -10.728 0.668 -0.143 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.008 0.317 -1.504 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.609 1.731 -1.931 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.842 -0.643 -1.751 1.00 0.00 C ATOM 0 H VAL A 76 -9.070 -1.657 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.548 0.783 0.541 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.872 -0.007 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.357 1.733 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.441 2.413 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.744 2.056 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.590 -0.644 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.976 -0.320 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.128 -1.649 -1.445 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.488 2.303 0.776 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.638 3.153 1.032 1.00 0.00 C ATOM 1129 C TYR A 77 -10.464 4.499 0.352 1.00 0.00 C ATOM 1130 O TYR A 77 -9.383 5.084 0.387 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.795 3.394 2.532 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.770 2.081 3.276 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.931 1.304 3.379 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.583 1.646 3.878 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.903 0.092 4.082 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.556 0.437 4.584 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.714 -0.341 4.686 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.687 -1.532 5.387 1.00 0.00 O ATOM 0 H TYR A 77 -8.593 2.694 1.070 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.521 2.648 0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.992 4.039 2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.733 3.914 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.848 1.639 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.687 2.244 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.797 -0.509 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.640 0.105 5.050 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.342 -2.152 5.003 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.533 5.011 -0.232 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.461 6.314 -0.869 1.00 0.00 C ATOM 1150 C GLN A 78 -12.072 7.335 0.074 1.00 0.00 C ATOM 1151 O GLN A 78 -13.121 7.092 0.671 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.209 6.317 -2.204 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.687 6.637 -1.970 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.487 6.368 -3.239 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.715 6.287 -3.193 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -13.864 6.229 -4.377 1.00 0.00 N ATOM 0 H GLN A 78 -12.444 4.555 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.420 6.561 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.770 7.055 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.110 5.346 -2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.074 6.030 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.799 7.680 -1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.847 6.296 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.394 6.053 -5.230 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.406 8.468 0.232 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.893 9.495 1.133 1.00 0.00 C ATOM 1167 C ILE A 79 -12.646 10.566 0.366 1.00 0.00 C ATOM 1168 O ILE A 79 -12.117 11.176 -0.564 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.715 10.116 1.877 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.898 8.998 2.521 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.237 11.053 2.966 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.624 9.570 3.136 1.00 0.00 C ATOM 0 H ILE A 79 -10.535 8.697 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.578 9.041 1.849 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.093 10.681 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.490 8.500 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.645 8.245 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.396 11.497 3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.836 11.842 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.853 10.489 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.048 8.766 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.027 10.048 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.886 10.306 3.896 1.00 0.00 H new ATOM 1184 N SER A 80 -13.888 10.785 0.768 1.00 0.00 N ATOM 1185 CA SER A 80 -14.724 11.777 0.125 1.00 0.00 C ATOM 1186 C SER A 80 -14.449 13.158 0.699 1.00 0.00 C ATOM 1187 O SER A 80 -13.806 13.296 1.739 1.00 0.00 O ATOM 1188 CB SER A 80 -16.192 11.411 0.319 1.00 0.00 C ATOM 1189 OG SER A 80 -16.564 11.655 1.666 1.00 0.00 O ATOM 0 H SER A 80 -14.336 10.287 1.537 1.00 0.00 H new ATOM 0 HA SER A 80 -14.495 11.796 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.817 11.998 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.353 10.362 0.070 1.00 0.00 H new ATOM 0 HG SER A 80 -17.503 11.407 1.796 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.936 14.175 0.006 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.740 15.551 0.432 1.00 0.00 C ATOM 1197 C GLU A 81 -15.289 15.772 1.840 1.00 0.00 C ATOM 1198 O GLU A 81 -14.930 16.741 2.508 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.434 16.494 -0.550 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.887 16.245 -1.955 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.462 17.264 -2.932 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.672 17.423 -2.950 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.684 17.875 -3.646 1.00 0.00 O ATOM 0 H GLU A 81 -15.471 14.073 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.670 15.759 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.511 16.330 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.265 17.531 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.799 16.312 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.142 15.236 -2.279 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.163 14.873 2.288 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.747 15.000 3.619 1.00 0.00 C ATOM 1212 C ASP A 82 -15.916 14.234 4.651 1.00 0.00 C ATOM 1213 O ASP A 82 -16.228 14.242 5.842 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.177 14.457 3.610 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.154 12.950 3.405 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.114 12.359 3.643 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.175 12.407 3.017 1.00 0.00 O ATOM 0 H ASP A 82 -16.478 14.061 1.757 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.756 16.055 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.673 14.698 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.752 14.933 2.815 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.851 13.582 4.185 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.974 12.826 5.078 1.00 0.00 C ATOM 1224 C GLY A 83 -14.470 11.394 5.293 1.00 0.00 C ATOM 1225 O GLY A 83 -14.002 10.699 6.195 1.00 0.00 O ATOM 0 H GLY A 83 -14.576 13.562 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.967 12.802 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.910 13.335 6.039 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.410 10.957 4.461 1.00 0.00 N ATOM 1230 CA GLU A 84 -15.955 9.604 4.573 1.00 0.00 C ATOM 1231 C GLU A 84 -15.097 8.587 3.823 1.00 0.00 C ATOM 1232 O GLU A 84 -14.574 8.874 2.745 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.378 9.567 4.016 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.337 10.252 4.992 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.527 9.383 6.228 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.124 8.232 6.186 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.079 9.878 7.195 1.00 0.00 O ATOM 0 H GLU A 84 -15.810 11.514 3.706 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.959 9.338 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.412 10.067 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.687 8.535 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.943 11.227 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.298 10.427 4.509 1.00 0.00 H new ATOM 1244 N GLN A 85 -14.978 7.389 4.392 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.203 6.324 3.761 1.00 0.00 C ATOM 1246 C GLN A 85 -15.123 5.240 3.211 1.00 0.00 C ATOM 1247 O GLN A 85 -16.114 4.874 3.841 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.235 5.700 4.767 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.081 6.662 5.021 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.034 5.998 5.903 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -11.314 5.653 7.051 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -9.837 5.787 5.427 1.00 0.00 N ATOM 0 H GLN A 85 -15.405 7.133 5.282 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.638 6.764 2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.754 5.482 5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.856 4.752 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.633 6.963 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.451 7.568 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.609 6.074 4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.130 5.335 6.007 1.00 0.00 H new ATOM 1261 N SER A 86 -14.780 4.723 2.037 1.00 0.00 N ATOM 1262 CA SER A 86 -15.578 3.673 1.414 1.00 0.00 C ATOM 1263 C SER A 86 -14.668 2.576 0.875 1.00 0.00 C ATOM 1264 O SER A 86 -13.677 2.863 0.204 1.00 0.00 O ATOM 1265 CB SER A 86 -16.412 4.260 0.276 1.00 0.00 C ATOM 1266 OG SER A 86 -17.354 3.293 -0.167 1.00 0.00 O ATOM 0 H SER A 86 -13.961 5.011 1.501 1.00 0.00 H new ATOM 0 HA SER A 86 -16.245 3.245 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.928 5.158 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.764 4.557 -0.549 1.00 0.00 H new ATOM 0 HG SER A 86 -17.891 3.669 -0.896 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.003 1.322 1.166 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.189 0.213 0.692 1.00 0.00 C ATOM 1274 C LEU A 87 -14.386 0.001 -0.801 1.00 0.00 C ATOM 1275 O LEU A 87 -15.496 -0.274 -1.258 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.542 -1.075 1.435 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.654 -2.215 0.927 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.217 -1.994 1.399 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.173 -3.547 1.474 1.00 0.00 C ATOM 0 H LEU A 87 -15.818 1.054 1.718 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.146 0.463 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.401 -0.940 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.593 -1.321 1.280 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.677 -2.235 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.586 -2.806 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.848 -1.046 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.191 -1.973 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.542 -4.359 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.150 -3.526 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.197 -3.705 1.135 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.305 0.139 -1.554 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.373 -0.031 -2.995 1.00 0.00 C ATOM 1293 C ILE A 88 -12.613 -1.279 -3.438 1.00 0.00 C ATOM 1294 O ILE A 88 -12.871 -1.815 -4.515 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.812 1.216 -3.682 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.307 1.323 -3.429 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.502 2.460 -3.114 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.753 2.513 -4.214 1.00 0.00 C ATOM 0 H ILE A 88 -12.378 0.366 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.416 -0.162 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.993 1.143 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.113 1.451 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.807 0.404 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.105 3.351 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.575 2.395 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.318 2.520 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.680 2.597 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.937 2.364 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.247 3.427 -3.885 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.684 -1.746 -2.609 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.915 -2.944 -2.960 1.00 0.00 C ATOM 1312 C LEU A 89 -10.340 -3.634 -1.725 1.00 0.00 C ATOM 1313 O LEU A 89 -9.600 -3.027 -0.950 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.769 -2.580 -3.910 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.995 -3.849 -4.295 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.802 -4.668 -5.304 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.651 -3.461 -4.916 1.00 0.00 C ATOM 0 H LEU A 89 -11.446 -1.328 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.602 -3.634 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.164 -2.098 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.100 -1.865 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.826 -4.447 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.246 -5.566 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.757 -4.951 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.979 -4.071 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.102 -4.363 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.823 -2.857 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.069 -2.887 -4.195 1.00 0.00 H new ATOM 1329 N SER A 90 -10.656 -4.918 -1.568 1.00 0.00 N ATOM 1330 CA SER A 90 -10.136 -5.696 -0.448 1.00 0.00 C ATOM 1331 C SER A 90 -9.586 -7.025 -0.955 1.00 0.00 C ATOM 1332 O SER A 90 -10.313 -7.814 -1.560 1.00 0.00 O ATOM 1333 CB SER A 90 -11.239 -5.963 0.576 1.00 0.00 C ATOM 1334 OG SER A 90 -10.689 -6.669 1.679 1.00 0.00 O ATOM 0 H SER A 90 -11.266 -5.438 -2.199 1.00 0.00 H new ATOM 0 HA SER A 90 -9.339 -5.126 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.676 -5.023 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.042 -6.543 0.121 1.00 0.00 H new ATOM 0 HG SER A 90 -10.720 -6.103 2.478 1.00 0.00 H new ATOM 1340 N THR A 91 -8.302 -7.272 -0.713 1.00 0.00 N ATOM 1341 CA THR A 91 -7.681 -8.517 -1.164 1.00 0.00 C ATOM 1342 C THR A 91 -6.495 -8.886 -0.278 1.00 0.00 C ATOM 1343 O THR A 91 -5.891 -8.020 0.348 1.00 0.00 O ATOM 1344 CB THR A 91 -7.214 -8.369 -2.615 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.043 -9.657 -3.188 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.885 -7.611 -2.657 1.00 0.00 C ATOM 0 H THR A 91 -7.677 -6.638 -0.215 1.00 0.00 H new ATOM 0 HA THR A 91 -8.423 -9.313 -1.098 1.00 0.00 H new ATOM 0 HB THR A 91 -7.962 -7.813 -3.180 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.746 -9.565 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.557 -7.508 -3.691 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.016 -6.622 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.134 -8.162 -2.091 1.00 0.00 H new ATOM 1354 N SER A 92 -6.162 -10.174 -0.235 1.00 0.00 N ATOM 1355 CA SER A 92 -5.040 -10.632 0.579 1.00 0.00 C ATOM 1356 C SER A 92 -3.998 -11.343 -0.276 1.00 0.00 C ATOM 1357 O SER A 92 -4.310 -11.902 -1.327 1.00 0.00 O ATOM 1358 CB SER A 92 -5.532 -11.582 1.670 1.00 0.00 C ATOM 1359 OG SER A 92 -6.081 -12.746 1.067 1.00 0.00 O ATOM 0 H SER A 92 -6.647 -10.911 -0.748 1.00 0.00 H new ATOM 0 HA SER A 92 -4.580 -9.756 1.037 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.708 -11.854 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.284 -11.089 2.286 1.00 0.00 H new ATOM 0 HG SER A 92 -6.396 -13.358 1.764 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.759 -11.326 0.201 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.663 -11.979 -0.503 1.00 0.00 C ATOM 1367 C GLN A 93 -0.645 -12.538 0.472 1.00 0.00 C ATOM 1368 O GLN A 93 -0.536 -12.084 1.611 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.952 -10.995 -1.427 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.870 -10.577 -2.571 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.065 -9.761 -3.573 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.588 -9.350 -4.608 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.190 -9.504 -3.318 1.00 0.00 N ATOM 0 H GLN A 93 -2.489 -10.868 1.071 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.095 -12.792 -1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.642 -10.116 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.047 -11.452 -1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.294 -11.457 -3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.705 -9.989 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.616 -9.848 -2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.744 -8.959 -3.979 1.00 0.00 H new ATOM 1382 N THR A 94 0.117 -13.511 -0.002 1.00 0.00 N ATOM 1383 CA THR A 94 1.154 -14.125 0.805 1.00 0.00 C ATOM 1384 C THR A 94 2.520 -13.710 0.269 1.00 0.00 C ATOM 1385 O THR A 94 2.856 -13.995 -0.880 1.00 0.00 O ATOM 1386 CB THR A 94 1.010 -15.642 0.751 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.315 -15.970 0.361 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.297 -16.232 2.131 1.00 0.00 C ATOM 0 H THR A 94 0.035 -13.892 -0.945 1.00 0.00 H new ATOM 0 HA THR A 94 1.059 -13.796 1.840 1.00 0.00 H new ATOM 0 HB THR A 94 1.717 -16.052 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.413 -16.944 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.194 -17.316 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.312 -15.975 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.590 -15.826 2.854 1.00 0.00 H new ATOM 1396 N THR A 95 3.296 -13.025 1.098 1.00 0.00 N ATOM 1397 CA THR A 95 4.613 -12.565 0.673 1.00 0.00 C ATOM 1398 C THR A 95 5.440 -13.724 0.122 1.00 0.00 C ATOM 1399 O THR A 95 5.785 -14.601 0.895 1.00 0.00 O ATOM 1400 CB THR A 95 5.356 -11.915 1.845 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.675 -12.907 2.810 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.473 -10.842 2.487 1.00 0.00 C ATOM 1403 OXT THR A 95 5.715 -13.715 -1.068 1.00 0.00 O ATOM 0 H THR A 95 3.043 -12.778 2.055 1.00 0.00 H new ATOM 0 HA THR A 95 4.473 -11.827 -0.116 1.00 0.00 H new ATOM 0 HB THR A 95 6.273 -11.453 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.439 -13.792 2.460 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.006 -10.383 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.231 -10.080 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.553 -11.299 2.852 1.00 0.00 H new