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= -1.11! C(o=-0.28!,f=-5.8!) USER MOD Set 1.2: A 90 SER OG : rot 92:sc= 0.833 USER MOD Set 2.1: A 21 SER OG : rot 137:sc= 1.21 USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= 0.799 F(o=-0.65,f=2) USER MOD Single : A 20 SER OG : rot 57:sc= -2.34! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -130:sc= -1.12 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 130:sc= -1.11 USER MOD Single : A 50 GLN : amide:sc= -3.99! C(o=-4!,f=-3.8!) USER MOD Single : A 51 TYR OH : rot 83:sc= 0.987 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00778 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 -156:sc= -1.88! USER MOD Single : A 77 TYR OH : rot 180:sc=-0.000934 USER MOD Single : A 78 GLN :FLIP amide:sc= -2.62! C(o=-5.8!,f=-2.6!) USER MOD Single : A 80 SER OG : rot 180:sc= -3.69! USER MOD Single : A 85 GLN :FLIP amide:sc= -3.91 F(o=-8.4!,f=-3.9) 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 -170:sc= -0.025 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0297 F(o=-1.6!,f=-0.03) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -5:sc= -0.517! USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.721 -8.247 0.413 1.00 0.00 N ATOM 264 CA SER A 20 8.423 -8.875 0.203 1.00 0.00 C ATOM 265 C SER A 20 7.340 -7.820 0.005 1.00 0.00 C ATOM 266 O SER A 20 6.200 -8.008 0.421 1.00 0.00 O ATOM 267 CB SER A 20 8.070 -9.766 1.394 1.00 0.00 C ATOM 268 OG SER A 20 8.656 -9.233 2.575 1.00 0.00 O ATOM 0 HA SER A 20 8.480 -9.487 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.988 -9.827 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.430 -10.780 1.222 1.00 0.00 H new ATOM 0 HG SER A 20 8.350 -8.311 2.705 1.00 0.00 H new ATOM 274 N SER A 21 7.711 -6.709 -0.628 1.00 0.00 N ATOM 275 CA SER A 21 6.767 -5.620 -0.869 1.00 0.00 C ATOM 276 C SER A 21 5.640 -6.050 -1.802 1.00 0.00 C ATOM 277 O SER A 21 5.741 -7.058 -2.500 1.00 0.00 O ATOM 278 CB SER A 21 7.485 -4.429 -1.506 1.00 0.00 C ATOM 279 OG SER A 21 6.977 -4.230 -2.819 1.00 0.00 O ATOM 0 H SER A 21 8.653 -6.540 -0.981 1.00 0.00 H new ATOM 0 HA SER A 21 6.346 -5.342 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.334 -3.533 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.559 -4.612 -1.542 1.00 0.00 H new ATOM 0 HG SER A 21 6.840 -3.272 -2.975 1.00 0.00 H new ATOM 285 N PHE A 22 4.581 -5.249 -1.817 1.00 0.00 N ATOM 286 CA PHE A 22 3.434 -5.507 -2.677 1.00 0.00 C ATOM 287 C PHE A 22 3.082 -4.270 -3.482 1.00 0.00 C ATOM 288 O PHE A 22 3.143 -3.149 -2.979 1.00 0.00 O ATOM 289 CB PHE A 22 2.186 -5.848 -1.857 1.00 0.00 C ATOM 290 CG PHE A 22 2.264 -7.185 -1.153 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.127 -8.211 -1.576 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.411 -7.399 -0.069 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.126 -9.440 -0.908 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.417 -8.625 0.599 1.00 0.00 C ATOM 295 CZ PHE A 22 2.271 -9.645 0.180 1.00 0.00 C ATOM 0 H PHE A 22 4.494 -4.412 -1.240 1.00 0.00 H new ATOM 0 HA PHE A 22 3.715 -6.340 -3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.026 -5.066 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.318 -5.845 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.789 -8.051 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.744 -6.613 0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.786 -10.231 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.760 -8.784 1.441 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.272 -10.594 0.696 1.00 0.00 H new ATOM 305 N VAL A 23 2.647 -4.487 -4.712 1.00 0.00 N ATOM 306 CA VAL A 23 2.210 -3.385 -5.546 1.00 0.00 C ATOM 307 C VAL A 23 0.751 -3.623 -5.908 1.00 0.00 C ATOM 308 O VAL A 23 0.441 -4.451 -6.764 1.00 0.00 O ATOM 309 CB VAL A 23 3.063 -3.281 -6.812 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.330 -2.416 -7.837 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.398 -2.622 -6.468 1.00 0.00 C ATOM 0 H VAL A 23 2.588 -5.406 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 23 2.320 -2.446 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 23 3.238 -4.276 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.931 -2.337 -8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.370 -2.872 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.165 -1.421 -7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.009 -2.546 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.219 -1.625 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.920 -3.224 -5.725 1.00 0.00 H new ATOM 321 N VAL A 24 -0.143 -2.915 -5.225 1.00 0.00 N ATOM 322 CA VAL A 24 -1.570 -3.085 -5.459 1.00 0.00 C ATOM 323 C VAL A 24 -2.183 -1.845 -6.093 1.00 0.00 C ATOM 324 O VAL A 24 -1.909 -0.719 -5.679 1.00 0.00 O ATOM 325 CB VAL A 24 -2.282 -3.377 -4.135 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.779 -3.573 -4.389 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.699 -4.648 -3.511 1.00 0.00 C ATOM 0 H VAL A 24 0.093 -2.225 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.697 -3.922 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.138 -2.538 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.284 -3.781 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.195 -2.668 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.926 -4.410 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.206 -4.856 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.842 -5.487 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.634 -4.507 -3.327 1.00 0.00 H new ATOM 337 N SER A 25 -3.032 -2.072 -7.086 1.00 0.00 N ATOM 338 CA SER A 25 -3.707 -0.981 -7.766 1.00 0.00 C ATOM 339 C SER A 25 -5.210 -1.199 -7.707 1.00 0.00 C ATOM 340 O SER A 25 -5.675 -2.336 -7.609 1.00 0.00 O ATOM 341 CB SER A 25 -3.241 -0.893 -9.220 1.00 0.00 C ATOM 342 OG SER A 25 -3.610 -2.083 -9.903 1.00 0.00 O ATOM 0 H SER A 25 -3.268 -3.001 -7.436 1.00 0.00 H new ATOM 0 HA SER A 25 -3.461 -0.043 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.690 -0.027 -9.706 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.160 -0.757 -9.260 1.00 0.00 H new ATOM 0 HG SER A 25 -3.315 -2.030 -10.836 1.00 0.00 H new ATOM 348 N TRP A 26 -5.968 -0.113 -7.756 1.00 0.00 N ATOM 349 CA TRP A 26 -7.418 -0.219 -7.691 1.00 0.00 C ATOM 350 C TRP A 26 -8.073 0.832 -8.576 1.00 0.00 C ATOM 351 O TRP A 26 -7.419 1.457 -9.409 1.00 0.00 O ATOM 352 CB TRP A 26 -7.872 -0.019 -6.244 1.00 0.00 C ATOM 353 CG TRP A 26 -7.264 1.241 -5.713 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.828 2.467 -5.789 1.00 0.00 C ATOM 355 CD2 TRP A 26 -5.985 1.421 -5.038 1.00 0.00 C ATOM 356 NE1 TRP A 26 -6.978 3.389 -5.204 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.830 2.790 -4.723 1.00 0.00 C ATOM 358 CE3 TRP A 26 -4.958 0.534 -4.668 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.690 3.267 -4.069 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -3.810 1.008 -4.010 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.679 2.371 -3.710 1.00 0.00 C ATOM 0 H TRP A 26 -5.610 0.838 -7.839 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.715 -1.206 -8.044 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -8.959 0.038 -6.195 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.569 -0.870 -5.633 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.786 2.691 -6.234 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.175 4.388 -5.136 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.052 -0.519 -4.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.591 4.319 -3.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.025 0.319 -3.734 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.796 2.729 -3.201 1.00 0.00 H new ATOM 372 N VAL A 27 -9.371 1.028 -8.381 1.00 0.00 N ATOM 373 CA VAL A 27 -10.110 2.008 -9.159 1.00 0.00 C ATOM 374 C VAL A 27 -10.717 3.050 -8.231 1.00 0.00 C ATOM 375 O VAL A 27 -11.342 2.711 -7.228 1.00 0.00 O ATOM 376 CB VAL A 27 -11.212 1.316 -9.963 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.976 2.354 -10.791 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.580 0.287 -10.903 1.00 0.00 C ATOM 0 H VAL A 27 -9.930 0.523 -7.693 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.428 2.502 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.901 0.819 -9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.760 1.858 -11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.424 3.092 -10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.288 2.852 -11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.362 -0.209 -11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.892 0.790 -11.583 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.035 -0.454 -10.318 1.00 0.00 H new ATOM 388 N SER A 28 -10.525 4.319 -8.565 1.00 0.00 N ATOM 389 CA SER A 28 -11.056 5.396 -7.741 1.00 0.00 C ATOM 390 C SER A 28 -12.545 5.196 -7.495 1.00 0.00 C ATOM 391 O SER A 28 -13.084 5.637 -6.481 1.00 0.00 O ATOM 392 CB SER A 28 -10.825 6.743 -8.427 1.00 0.00 C ATOM 393 OG SER A 28 -11.442 6.735 -9.707 1.00 0.00 O ATOM 0 H SER A 28 -10.011 4.626 -9.391 1.00 0.00 H new ATOM 0 HA SER A 28 -10.536 5.385 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.236 7.548 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.756 6.933 -8.528 1.00 0.00 H new ATOM 0 HG SER A 28 -11.296 7.599 -10.146 1.00 0.00 H new ATOM 446 N VAL A 33 -13.633 11.544 -4.820 1.00 0.00 N ATOM 447 CA VAL A 33 -12.722 11.186 -3.746 1.00 0.00 C ATOM 448 C VAL A 33 -11.719 12.307 -3.513 1.00 0.00 C ATOM 449 O VAL A 33 -11.202 12.895 -4.462 1.00 0.00 O ATOM 450 CB VAL A 33 -11.979 9.898 -4.112 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.359 10.042 -5.502 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.870 9.630 -3.096 1.00 0.00 C ATOM 0 HA VAL A 33 -13.295 11.029 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.685 9.068 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.830 9.125 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.145 10.227 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.659 10.877 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.346 8.712 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.167 10.463 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.305 9.523 -2.102 1.00 0.00 H new ATOM 462 N SER A 34 -11.446 12.596 -2.246 1.00 0.00 N ATOM 463 CA SER A 34 -10.497 13.651 -1.905 1.00 0.00 C ATOM 464 C SER A 34 -9.110 13.052 -1.707 1.00 0.00 C ATOM 465 O SER A 34 -8.103 13.759 -1.723 1.00 0.00 O ATOM 466 CB SER A 34 -10.946 14.375 -0.633 1.00 0.00 C ATOM 467 OG SER A 34 -12.150 15.082 -0.894 1.00 0.00 O ATOM 0 H SER A 34 -11.863 12.121 -1.445 1.00 0.00 H new ATOM 0 HA SER A 34 -10.460 14.373 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.100 13.657 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.170 15.065 -0.301 1.00 0.00 H new ATOM 0 HG SER A 34 -12.060 16.007 -0.582 1.00 0.00 H new ATOM 473 N GLY A 35 -9.077 11.738 -1.534 1.00 0.00 N ATOM 474 CA GLY A 35 -7.823 11.021 -1.344 1.00 0.00 C ATOM 475 C GLY A 35 -8.104 9.547 -1.098 1.00 0.00 C ATOM 476 O GLY A 35 -9.259 9.134 -1.051 1.00 0.00 O ATOM 0 H GLY A 35 -9.907 11.145 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.190 11.138 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.277 11.442 -0.500 1.00 0.00 H new ATOM 480 N PHE A 36 -7.055 8.756 -0.930 1.00 0.00 N ATOM 481 CA PHE A 36 -7.233 7.330 -0.674 1.00 0.00 C ATOM 482 C PHE A 36 -6.460 6.907 0.564 1.00 0.00 C ATOM 483 O PHE A 36 -5.418 7.476 0.884 1.00 0.00 O ATOM 484 CB PHE A 36 -6.750 6.499 -1.863 1.00 0.00 C ATOM 485 CG PHE A 36 -7.643 6.734 -3.050 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.824 5.998 -3.197 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.287 7.687 -4.006 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.650 6.221 -4.306 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.111 7.909 -5.112 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.292 7.177 -5.263 1.00 0.00 C ATOM 0 H PHE A 36 -6.085 9.068 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.298 7.156 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.723 6.767 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.749 5.441 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.098 5.260 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.374 8.253 -3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.563 5.655 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.835 8.647 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.928 7.349 -6.118 1.00 0.00 H new ATOM 500 N ARG A 37 -6.964 5.886 1.241 1.00 0.00 N ATOM 501 CA ARG A 37 -6.293 5.376 2.421 1.00 0.00 C ATOM 502 C ARG A 37 -6.154 3.872 2.304 1.00 0.00 C ATOM 503 O ARG A 37 -7.145 3.156 2.156 1.00 0.00 O ATOM 504 CB ARG A 37 -7.081 5.719 3.685 1.00 0.00 C ATOM 505 CG ARG A 37 -6.196 5.468 4.911 1.00 0.00 C ATOM 506 CD ARG A 37 -6.945 5.867 6.185 1.00 0.00 C ATOM 507 NE ARG A 37 -7.900 4.832 6.556 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.386 4.758 7.792 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.034 5.643 8.686 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.217 3.804 8.109 1.00 0.00 N ATOM 0 H ARG A 37 -7.827 5.400 0.995 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.309 5.839 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.400 6.761 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.984 5.111 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.915 4.416 4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.273 6.041 4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.236 6.025 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.465 6.812 6.028 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.201 4.153 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.387 6.391 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.407 5.586 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.494 3.115 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.590 3.747 9.057 1.00 0.00 H new ATOM 524 N VAL A 38 -4.923 3.395 2.368 1.00 0.00 N ATOM 525 CA VAL A 38 -4.677 1.966 2.269 1.00 0.00 C ATOM 526 C VAL A 38 -4.271 1.419 3.625 1.00 0.00 C ATOM 527 O VAL A 38 -3.404 1.978 4.296 1.00 0.00 O ATOM 528 CB VAL A 38 -3.580 1.689 1.239 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.456 0.181 1.013 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.945 2.375 -0.079 1.00 0.00 C ATOM 0 H VAL A 38 -4.087 3.968 2.487 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.592 1.470 1.945 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.629 2.076 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.674 -0.014 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.201 -0.308 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.404 -0.211 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.167 2.181 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.895 1.984 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.033 3.449 0.082 1.00 0.00 H new ATOM 540 N GLU A 39 -4.909 0.330 4.031 1.00 0.00 N ATOM 541 CA GLU A 39 -4.603 -0.267 5.319 1.00 0.00 C ATOM 542 C GLU A 39 -4.168 -1.712 5.153 1.00 0.00 C ATOM 543 O GLU A 39 -4.818 -2.490 4.454 1.00 0.00 O ATOM 544 CB GLU A 39 -5.837 -0.217 6.221 1.00 0.00 C ATOM 545 CG GLU A 39 -5.468 -0.708 7.624 1.00 0.00 C ATOM 546 CD GLU A 39 -6.727 -0.846 8.475 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.796 -0.561 7.965 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.602 -1.239 9.624 1.00 0.00 O ATOM 0 H GLU A 39 -5.631 -0.151 3.495 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.789 0.299 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.222 0.801 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.630 -0.838 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.955 -1.668 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.776 -0.008 8.093 1.00 0.00 H new ATOM 555 N TYR A 40 -3.072 -2.075 5.807 1.00 0.00 N ATOM 556 CA TYR A 40 -2.583 -3.440 5.723 1.00 0.00 C ATOM 557 C TYR A 40 -2.122 -3.942 7.083 1.00 0.00 C ATOM 558 O TYR A 40 -1.457 -3.230 7.835 1.00 0.00 O ATOM 559 CB TYR A 40 -1.441 -3.538 4.704 1.00 0.00 C ATOM 560 CG TYR A 40 -0.264 -2.709 5.159 1.00 0.00 C ATOM 561 CD1 TYR A 40 0.722 -3.275 5.976 1.00 0.00 C ATOM 562 CD2 TYR A 40 -0.153 -1.374 4.752 1.00 0.00 C ATOM 563 CE1 TYR A 40 1.818 -2.505 6.387 1.00 0.00 C ATOM 564 CE2 TYR A 40 0.942 -0.604 5.162 1.00 0.00 C ATOM 565 CZ TYR A 40 1.928 -1.170 5.980 1.00 0.00 C ATOM 566 OH TYR A 40 3.009 -0.412 6.385 1.00 0.00 O ATOM 0 H TYR A 40 -2.514 -1.453 6.392 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.406 -4.072 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.138 -4.578 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.783 -3.192 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.638 -4.305 6.289 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.913 -0.938 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.578 -2.941 7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.026 0.426 4.848 1.00 0.00 H new ATOM 0 HH TYR A 40 2.932 0.492 6.014 1.00 0.00 H new ATOM 576 N GLU A 41 -2.487 -5.182 7.382 1.00 0.00 N ATOM 577 CA GLU A 41 -2.121 -5.804 8.645 1.00 0.00 C ATOM 578 C GLU A 41 -1.899 -7.295 8.430 1.00 0.00 C ATOM 579 O GLU A 41 -2.381 -7.863 7.449 1.00 0.00 O ATOM 580 CB GLU A 41 -3.233 -5.588 9.674 1.00 0.00 C ATOM 581 CG GLU A 41 -4.445 -6.446 9.305 1.00 0.00 C ATOM 582 CD GLU A 41 -5.609 -6.133 10.237 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.421 -5.339 11.143 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.673 -6.693 10.030 1.00 0.00 O ATOM 0 H GLU A 41 -3.038 -5.777 6.764 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.202 -5.351 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.877 -5.852 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.515 -4.536 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.735 -6.255 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.187 -7.503 9.374 1.00 0.00 H new ATOM 591 N LEU A 42 -1.165 -7.928 9.334 1.00 0.00 N ATOM 592 CA LEU A 42 -0.898 -9.356 9.198 1.00 0.00 C ATOM 593 C LEU A 42 -2.134 -10.182 9.533 1.00 0.00 C ATOM 594 O LEU A 42 -2.704 -10.063 10.617 1.00 0.00 O ATOM 595 CB LEU A 42 0.265 -9.771 10.101 1.00 0.00 C ATOM 596 CG LEU A 42 1.579 -9.287 9.486 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.707 -9.424 10.510 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.903 -10.144 8.260 1.00 0.00 C ATOM 0 H LEU A 42 -0.750 -7.488 10.155 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.629 -9.546 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.137 -9.346 11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.282 -10.855 10.217 1.00 0.00 H new ATOM 0 HG LEU A 42 1.482 -8.242 9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.642 -9.079 10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.476 -8.822 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.808 -10.469 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.839 -9.805 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.001 -11.187 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.100 -10.051 7.529 1.00 0.00 H new ATOM 610 N SER A 43 -2.534 -11.024 8.586 1.00 0.00 N ATOM 611 CA SER A 43 -3.699 -11.879 8.767 1.00 0.00 C ATOM 612 C SER A 43 -3.437 -12.921 9.851 1.00 0.00 C ATOM 613 O SER A 43 -4.361 -13.388 10.518 1.00 0.00 O ATOM 614 CB SER A 43 -4.017 -12.592 7.453 1.00 0.00 C ATOM 615 OG SER A 43 -3.147 -13.707 7.301 1.00 0.00 O ATOM 0 H SER A 43 -2.068 -11.132 7.685 1.00 0.00 H new ATOM 0 HA SER A 43 -4.542 -11.258 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.056 -12.923 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.897 -11.905 6.615 1.00 0.00 H new ATOM 0 HG SER A 43 -3.673 -14.505 7.085 1.00 0.00 H new ATOM 621 N GLU A 44 -2.171 -13.287 10.005 1.00 0.00 N ATOM 622 CA GLU A 44 -1.784 -14.287 10.993 1.00 0.00 C ATOM 623 C GLU A 44 -1.543 -13.654 12.361 1.00 0.00 C ATOM 624 O GLU A 44 -2.292 -13.892 13.309 1.00 0.00 O ATOM 625 CB GLU A 44 -0.501 -14.992 10.538 1.00 0.00 C ATOM 626 CG GLU A 44 -0.754 -15.735 9.222 1.00 0.00 C ATOM 627 CD GLU A 44 -1.856 -16.771 9.410 1.00 0.00 C ATOM 628 OE1 GLU A 44 -1.785 -17.513 10.375 1.00 0.00 O ATOM 629 OE2 GLU A 44 -2.754 -16.809 8.585 1.00 0.00 O ATOM 0 H GLU A 44 -1.396 -12.908 9.460 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.600 -15.004 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.298 -14.263 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.170 -15.693 11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.039 -15.027 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.162 -16.223 8.889 1.00 0.00 H new ATOM 685 N PRO A 49 -2.737 -2.369 12.660 1.00 0.00 N ATOM 686 CA PRO A 49 -2.898 -1.952 11.240 1.00 0.00 C ATOM 687 C PRO A 49 -2.099 -0.695 10.907 1.00 0.00 C ATOM 688 O PRO A 49 -1.928 0.189 11.747 1.00 0.00 O ATOM 689 CB PRO A 49 -4.399 -1.693 11.109 1.00 0.00 C ATOM 690 CG PRO A 49 -4.860 -1.349 12.487 1.00 0.00 C ATOM 691 CD PRO A 49 -3.951 -2.110 13.452 1.00 0.00 C ATOM 0 HA PRO A 49 -2.526 -2.709 10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.599 -0.879 10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.918 -2.572 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.797 -0.275 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.902 -1.634 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.730 -1.521 14.342 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.413 -3.037 13.790 1.00 0.00 H new ATOM 699 N GLN A 50 -1.633 -0.618 9.667 1.00 0.00 N ATOM 700 CA GLN A 50 -0.874 0.539 9.212 1.00 0.00 C ATOM 701 C GLN A 50 -1.677 1.254 8.136 1.00 0.00 C ATOM 702 O GLN A 50 -2.405 0.614 7.384 1.00 0.00 O ATOM 703 CB GLN A 50 0.475 0.083 8.652 1.00 0.00 C ATOM 704 CG GLN A 50 1.288 -0.583 9.764 1.00 0.00 C ATOM 705 CD GLN A 50 1.749 -1.964 9.316 1.00 0.00 C ATOM 706 OE1 GLN A 50 2.948 -2.204 9.171 1.00 0.00 O ATOM 707 NE2 GLN A 50 0.862 -2.894 9.090 1.00 0.00 N ATOM 0 H GLN A 50 -1.767 -1.341 8.960 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.691 1.219 10.044 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.322 -0.616 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.021 0.936 8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.151 0.034 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.684 -0.667 10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.131 -2.692 9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.161 -3.823 8.792 1.00 0.00 H new ATOM 716 N TYR A 51 -1.571 2.575 8.072 1.00 0.00 N ATOM 717 CA TYR A 51 -2.339 3.321 7.081 1.00 0.00 C ATOM 718 C TYR A 51 -1.451 4.170 6.180 1.00 0.00 C ATOM 719 O TYR A 51 -0.536 4.851 6.643 1.00 0.00 O ATOM 720 CB TYR A 51 -3.347 4.234 7.780 1.00 0.00 C ATOM 721 CG TYR A 51 -4.318 3.406 8.586 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.408 2.794 7.957 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.133 3.259 9.967 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.314 2.034 8.707 1.00 0.00 C ATOM 725 CE2 TYR A 51 -5.037 2.497 10.716 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.128 1.886 10.087 1.00 0.00 C ATOM 727 OH TYR A 51 -7.019 1.139 10.827 1.00 0.00 O ATOM 0 H TYR A 51 -0.977 3.141 8.677 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.852 2.588 6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.825 4.935 8.432 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.887 4.827 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.551 2.908 6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.293 3.733 10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.156 1.562 8.221 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.893 2.380 11.780 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.789 0.189 10.754 1.00 0.00 H new ATOM 737 N LEU A 52 -1.764 4.149 4.889 1.00 0.00 N ATOM 738 CA LEU A 52 -1.036 4.943 3.913 1.00 0.00 C ATOM 739 C LEU A 52 -2.017 5.865 3.205 1.00 0.00 C ATOM 740 O LEU A 52 -3.040 5.416 2.691 1.00 0.00 O ATOM 741 CB LEU A 52 -0.342 4.038 2.893 1.00 0.00 C ATOM 742 CG LEU A 52 0.635 3.117 3.618 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.275 2.162 2.610 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.726 3.960 4.280 1.00 0.00 C ATOM 0 H LEU A 52 -2.520 3.588 4.496 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.271 5.530 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.081 3.448 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.188 4.641 2.156 1.00 0.00 H new ATOM 0 HG LEU A 52 0.103 2.543 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.973 1.503 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.499 1.565 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.810 2.736 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.426 3.306 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.258 4.530 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.272 4.646 4.995 1.00 0.00 H new ATOM 756 N ASP A 53 -1.714 7.153 3.196 1.00 0.00 N ATOM 757 CA ASP A 53 -2.602 8.115 2.561 1.00 0.00 C ATOM 758 C ASP A 53 -2.092 8.505 1.179 1.00 0.00 C ATOM 759 O ASP A 53 -0.921 8.843 1.006 1.00 0.00 O ATOM 760 CB ASP A 53 -2.730 9.361 3.433 1.00 0.00 C ATOM 761 CG ASP A 53 -3.293 8.987 4.799 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.723 7.855 4.951 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.286 9.837 5.674 1.00 0.00 O ATOM 0 H ASP A 53 -0.874 7.553 3.614 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.580 7.648 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.755 9.835 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.382 10.088 2.949 1.00 0.00 H new ATOM 768 N LEU A 54 -2.985 8.446 0.199 1.00 0.00 N ATOM 769 CA LEU A 54 -2.632 8.785 -1.172 1.00 0.00 C ATOM 770 C LEU A 54 -3.620 9.817 -1.715 1.00 0.00 C ATOM 771 O LEU A 54 -4.755 9.900 -1.247 1.00 0.00 O ATOM 772 CB LEU A 54 -2.674 7.522 -2.042 1.00 0.00 C ATOM 773 CG LEU A 54 -2.131 6.323 -1.256 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.602 5.029 -1.916 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.604 6.364 -1.254 1.00 0.00 C ATOM 0 H LEU A 54 -3.957 8.167 0.329 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.626 9.203 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.697 7.324 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.082 7.673 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.497 6.365 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.217 4.175 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.692 4.998 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.234 4.989 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.218 5.512 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.238 6.322 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.265 7.288 -0.786 1.00 0.00 H new ATOM 787 N PRO A 55 -3.214 10.600 -2.680 1.00 0.00 N ATOM 788 CA PRO A 55 -4.095 11.645 -3.280 1.00 0.00 C ATOM 789 C PRO A 55 -5.236 11.048 -4.096 1.00 0.00 C ATOM 790 O PRO A 55 -5.142 9.927 -4.594 1.00 0.00 O ATOM 791 CB PRO A 55 -3.158 12.467 -4.168 1.00 0.00 C ATOM 792 CG PRO A 55 -1.968 11.603 -4.432 1.00 0.00 C ATOM 793 CD PRO A 55 -1.883 10.576 -3.300 1.00 0.00 C ATOM 0 HA PRO A 55 -4.584 12.243 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.650 12.746 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.865 13.392 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.064 11.104 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.060 12.204 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.641 9.584 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.106 10.840 -2.582 1.00 0.00 H new ATOM 801 N SER A 56 -6.312 11.814 -4.231 1.00 0.00 N ATOM 802 CA SER A 56 -7.473 11.362 -4.990 1.00 0.00 C ATOM 803 C SER A 56 -7.072 11.000 -6.415 1.00 0.00 C ATOM 804 O SER A 56 -7.847 10.392 -7.153 1.00 0.00 O ATOM 805 CB SER A 56 -8.543 12.453 -5.021 1.00 0.00 C ATOM 806 OG SER A 56 -7.928 13.713 -5.263 1.00 0.00 O ATOM 0 H SER A 56 -6.405 12.746 -3.827 1.00 0.00 H new ATOM 0 HA SER A 56 -7.877 10.476 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.275 12.238 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.082 12.475 -4.074 1.00 0.00 H new ATOM 0 HG SER A 56 -8.614 14.413 -5.285 1.00 0.00 H new ATOM 812 N THR A 57 -5.862 11.384 -6.803 1.00 0.00 N ATOM 813 CA THR A 57 -5.382 11.094 -8.148 1.00 0.00 C ATOM 814 C THR A 57 -4.573 9.798 -8.169 1.00 0.00 C ATOM 815 O THR A 57 -4.232 9.287 -9.237 1.00 0.00 O ATOM 816 CB THR A 57 -4.519 12.253 -8.650 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.308 12.290 -7.909 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.275 13.570 -8.464 1.00 0.00 C ATOM 0 H THR A 57 -5.202 11.891 -6.213 1.00 0.00 H new ATOM 0 HA THR A 57 -6.244 10.972 -8.804 1.00 0.00 H new ATOM 0 HB THR A 57 -4.295 12.112 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.751 13.030 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.660 14.396 -8.822 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.206 13.538 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.498 13.715 -7.407 1.00 0.00 H new ATOM 826 N ALA A 58 -4.271 9.264 -6.987 1.00 0.00 N ATOM 827 CA ALA A 58 -3.506 8.024 -6.894 1.00 0.00 C ATOM 828 C ALA A 58 -4.423 6.814 -7.035 1.00 0.00 C ATOM 829 O ALA A 58 -5.498 6.763 -6.437 1.00 0.00 O ATOM 830 CB ALA A 58 -2.776 7.958 -5.551 1.00 0.00 C ATOM 0 H ALA A 58 -4.541 9.666 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.778 8.010 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.208 7.030 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.096 8.806 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.503 7.992 -4.740 1.00 0.00 H new ATOM 836 N THR A 59 -3.988 5.834 -7.820 1.00 0.00 N ATOM 837 CA THR A 59 -4.778 4.625 -8.017 1.00 0.00 C ATOM 838 C THR A 59 -3.933 3.378 -7.777 1.00 0.00 C ATOM 839 O THR A 59 -4.351 2.269 -8.110 1.00 0.00 O ATOM 840 CB THR A 59 -5.348 4.592 -9.437 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.302 4.825 -10.370 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.423 5.672 -9.585 1.00 0.00 C ATOM 0 H THR A 59 -3.102 5.852 -8.325 1.00 0.00 H new ATOM 0 HA THR A 59 -5.597 4.636 -7.298 1.00 0.00 H new ATOM 0 HB THR A 59 -5.793 3.616 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.665 4.803 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.827 5.647 -10.597 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.224 5.488 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.984 6.651 -9.394 1.00 0.00 H new ATOM 850 N SER A 60 -2.749 3.554 -7.195 1.00 0.00 N ATOM 851 CA SER A 60 -1.877 2.419 -6.921 1.00 0.00 C ATOM 852 C SER A 60 -0.789 2.809 -5.929 1.00 0.00 C ATOM 853 O SER A 60 -0.361 3.963 -5.886 1.00 0.00 O ATOM 854 CB SER A 60 -1.241 1.919 -8.216 1.00 0.00 C ATOM 855 OG SER A 60 -0.324 2.895 -8.691 1.00 0.00 O ATOM 0 H SER A 60 -2.377 4.459 -6.908 1.00 0.00 H new ATOM 0 HA SER A 60 -2.478 1.620 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.727 0.974 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.011 1.730 -8.964 1.00 0.00 H new ATOM 0 HG SER A 60 0.089 2.579 -9.522 1.00 0.00 H new ATOM 861 N VAL A 61 -0.351 1.841 -5.131 1.00 0.00 N ATOM 862 CA VAL A 61 0.686 2.102 -4.138 1.00 0.00 C ATOM 863 C VAL A 61 1.495 0.847 -3.829 1.00 0.00 C ATOM 864 O VAL A 61 0.986 -0.272 -3.896 1.00 0.00 O ATOM 865 CB VAL A 61 0.053 2.609 -2.845 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.643 1.447 -2.133 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.140 3.191 -1.938 1.00 0.00 C ATOM 0 H VAL A 61 -0.692 0.880 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 61 1.355 2.855 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.678 3.385 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.096 1.806 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.417 1.035 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.088 0.672 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.688 3.553 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.872 2.418 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.635 4.017 -2.448 1.00 0.00 H new ATOM 877 N ASN A 62 2.755 1.051 -3.468 1.00 0.00 N ATOM 878 CA ASN A 62 3.635 -0.056 -3.121 1.00 0.00 C ATOM 879 C ASN A 62 3.794 -0.127 -1.603 1.00 0.00 C ATOM 880 O ASN A 62 4.129 0.871 -0.967 1.00 0.00 O ATOM 881 CB ASN A 62 5.006 0.142 -3.772 1.00 0.00 C ATOM 882 CG ASN A 62 6.033 -0.776 -3.120 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.689 -1.985 -2.775 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 7.181 -0.379 -2.918 1.00 0.00 N flip ATOM 0 H ASN A 62 3.190 1.972 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 62 3.199 -0.986 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.944 -0.069 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.319 1.181 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.448 0.567 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.865 -0.997 -2.480 1.00 0.00 H new ATOM 891 N ILE A 63 3.542 -1.300 -1.023 1.00 0.00 N ATOM 892 CA ILE A 63 3.657 -1.463 0.423 1.00 0.00 C ATOM 893 C ILE A 63 4.982 -2.141 0.793 1.00 0.00 C ATOM 894 O ILE A 63 5.138 -3.348 0.605 1.00 0.00 O ATOM 895 CB ILE A 63 2.494 -2.308 0.941 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.199 -1.875 0.246 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.362 -2.105 2.451 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.005 -2.372 1.051 1.00 0.00 C ATOM 0 H ILE A 63 3.260 -2.141 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 63 3.630 -0.475 0.882 1.00 0.00 H new ATOM 0 HB ILE A 63 2.679 -3.361 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.167 -0.789 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.165 -2.279 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.534 -2.705 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.286 -2.412 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.173 -1.052 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.926 -2.064 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.025 -3.460 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.028 -1.947 2.054 1.00 0.00 H new ATOM 910 N PRO A 64 5.934 -1.398 1.306 1.00 0.00 N ATOM 911 CA PRO A 64 7.259 -1.942 1.700 1.00 0.00 C ATOM 912 C PRO A 64 7.311 -2.409 3.152 1.00 0.00 C ATOM 913 O PRO A 64 6.326 -2.335 3.889 1.00 0.00 O ATOM 914 CB PRO A 64 8.175 -0.743 1.490 1.00 0.00 C ATOM 915 CG PRO A 64 7.332 0.446 1.824 1.00 0.00 C ATOM 916 CD PRO A 64 5.870 0.048 1.572 1.00 0.00 C ATOM 0 HA PRO A 64 7.528 -2.829 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.053 -0.799 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.536 -0.696 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.477 0.741 2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.610 1.301 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.242 0.267 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.449 0.591 0.726 1.00 0.00 H new ATOM 924 N ASP A 65 8.488 -2.872 3.545 1.00 0.00 N ATOM 925 CA ASP A 65 8.732 -3.349 4.905 1.00 0.00 C ATOM 926 C ASP A 65 7.830 -4.527 5.262 1.00 0.00 C ATOM 927 O ASP A 65 7.385 -4.655 6.403 1.00 0.00 O ATOM 928 CB ASP A 65 8.495 -2.210 5.898 1.00 0.00 C ATOM 929 CG ASP A 65 9.488 -1.082 5.645 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.425 -1.299 4.894 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.296 -0.014 6.204 1.00 0.00 O ATOM 0 H ASP A 65 9.302 -2.929 2.934 1.00 0.00 H new ATOM 0 HA ASP A 65 9.767 -3.688 4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.476 -1.837 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.602 -2.578 6.918 1.00 0.00 H new ATOM 936 N LEU A 66 7.578 -5.394 4.290 1.00 0.00 N ATOM 937 CA LEU A 66 6.743 -6.567 4.529 1.00 0.00 C ATOM 938 C LEU A 66 7.602 -7.767 4.923 1.00 0.00 C ATOM 939 O LEU A 66 8.722 -7.925 4.438 1.00 0.00 O ATOM 940 CB LEU A 66 5.923 -6.888 3.282 1.00 0.00 C ATOM 941 CG LEU A 66 5.085 -5.664 2.910 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.129 -6.018 1.770 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.274 -5.214 4.129 1.00 0.00 C ATOM 0 H LEU A 66 7.935 -5.310 3.338 1.00 0.00 H new ATOM 0 HA LEU A 66 6.063 -6.348 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.582 -7.158 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.276 -7.745 3.467 1.00 0.00 H new ATOM 0 HG LEU A 66 5.747 -4.859 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.534 -5.143 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.703 -6.340 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.468 -6.824 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.676 -4.342 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.616 -6.023 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.952 -4.957 4.943 1.00 0.00 H new ATOM 955 N LEU A 67 7.075 -8.604 5.811 1.00 0.00 N ATOM 956 CA LEU A 67 7.804 -9.778 6.272 1.00 0.00 C ATOM 957 C LEU A 67 7.537 -10.982 5.366 1.00 0.00 C ATOM 958 O LEU A 67 6.427 -11.511 5.344 1.00 0.00 O ATOM 959 CB LEU A 67 7.360 -10.124 7.692 1.00 0.00 C ATOM 960 CG LEU A 67 8.063 -9.207 8.689 1.00 0.00 C ATOM 961 CD1 LEU A 67 7.278 -9.183 10.001 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.472 -9.739 8.952 1.00 0.00 C ATOM 0 H LEU A 67 6.149 -8.491 6.224 1.00 0.00 H new ATOM 0 HA LEU A 67 8.869 -9.549 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.279 -10.015 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.595 -11.165 7.913 1.00 0.00 H new ATOM 0 HG LEU A 67 8.120 -8.198 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.780 -8.528 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.270 -8.812 9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.224 -10.191 10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.980 -9.088 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.410 -10.747 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.033 -9.762 8.017 1.00 0.00 H new ATOM 974 N PRO A 68 8.527 -11.435 4.635 1.00 0.00 N ATOM 975 CA PRO A 68 8.373 -12.614 3.736 1.00 0.00 C ATOM 976 C PRO A 68 7.831 -13.831 4.481 1.00 0.00 C ATOM 977 O PRO A 68 8.197 -14.080 5.630 1.00 0.00 O ATOM 978 CB PRO A 68 9.791 -12.891 3.226 1.00 0.00 C ATOM 979 CG PRO A 68 10.560 -11.628 3.435 1.00 0.00 C ATOM 980 CD PRO A 68 9.885 -10.875 4.581 1.00 0.00 C ATOM 0 HA PRO A 68 7.661 -12.416 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.246 -13.719 3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.779 -13.170 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.600 -11.846 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.564 -11.025 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.415 -11.025 5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.865 -9.801 4.394 1.00 0.00 H new ATOM 988 N GLY A 69 6.962 -14.587 3.822 1.00 0.00 N ATOM 989 CA GLY A 69 6.386 -15.777 4.434 1.00 0.00 C ATOM 990 C GLY A 69 5.227 -15.416 5.359 1.00 0.00 C ATOM 991 O GLY A 69 4.816 -16.222 6.193 1.00 0.00 O ATOM 0 H GLY A 69 6.643 -14.399 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.036 -16.456 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.154 -16.307 4.998 1.00 0.00 H new ATOM 995 N ARG A 70 4.701 -14.205 5.206 1.00 0.00 N ATOM 996 CA ARG A 70 3.586 -13.760 6.034 1.00 0.00 C ATOM 997 C ARG A 70 2.422 -13.330 5.155 1.00 0.00 C ATOM 998 O ARG A 70 2.624 -12.789 4.069 1.00 0.00 O ATOM 999 CB ARG A 70 4.019 -12.581 6.909 1.00 0.00 C ATOM 1000 CG ARG A 70 5.242 -12.967 7.741 1.00 0.00 C ATOM 1001 CD ARG A 70 4.830 -13.930 8.854 1.00 0.00 C ATOM 1002 NE ARG A 70 5.447 -13.528 10.110 1.00 0.00 N ATOM 1003 CZ ARG A 70 6.698 -13.869 10.398 1.00 0.00 C ATOM 1004 NH1 ARG A 70 7.393 -14.581 9.552 1.00 0.00 N ATOM 1005 NH2 ARG A 70 7.234 -13.489 11.524 1.00 0.00 N ATOM 0 H ARG A 70 5.025 -13.520 4.523 1.00 0.00 H new ATOM 0 HA ARG A 70 3.274 -14.588 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.252 -11.720 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.201 -12.286 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.994 -13.433 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.697 -12.075 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.745 -13.937 8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.133 -14.946 8.599 1.00 0.00 H new ATOM 0 HE ARG A 70 4.910 -12.976 10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.975 -14.876 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.354 -14.842 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.693 -12.930 12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.195 -13.751 11.745 1.00 0.00 H new ATOM 1019 N LYS A 71 1.203 -13.557 5.632 1.00 0.00 N ATOM 1020 CA LYS A 71 0.031 -13.166 4.872 1.00 0.00 C ATOM 1021 C LYS A 71 -0.505 -11.842 5.395 1.00 0.00 C ATOM 1022 O LYS A 71 -0.661 -11.656 6.603 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.048 -14.242 4.970 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.147 -13.941 3.951 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.216 -15.031 4.011 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.148 -14.890 2.807 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.039 -16.083 2.727 1.00 0.00 N ATOM 0 H LYS A 71 1.006 -14.003 6.528 1.00 0.00 H new ATOM 0 HA LYS A 71 0.313 -13.049 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.617 -15.225 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.465 -14.266 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.593 -12.969 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.723 -13.889 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.748 -16.016 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.784 -14.949 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.745 -13.983 2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.565 -14.796 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.673 -15.988 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.461 -16.941 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.605 -16.153 3.597 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.784 -10.928 4.480 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.303 -9.619 4.854 1.00 0.00 C ATOM 1043 C TYR A 72 -2.680 -9.391 4.247 1.00 0.00 C ATOM 1044 O TYR A 72 -3.015 -9.956 3.205 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.383 -8.507 4.343 1.00 0.00 C ATOM 1046 CG TYR A 72 1.002 -8.627 4.934 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.900 -9.579 4.435 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.395 -7.769 5.968 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.189 -9.672 4.973 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.684 -7.860 6.502 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.581 -8.812 6.006 1.00 0.00 C ATOM 1052 OH TYR A 72 4.853 -8.897 6.531 1.00 0.00 O ATOM 0 H TYR A 72 -0.661 -11.066 3.477 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.361 -9.594 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.322 -8.553 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.807 -7.536 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.598 -10.240 3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.702 -7.036 6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.881 -10.408 4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.987 -7.195 7.297 1.00 0.00 H new ATOM 0 HH TYR A 72 4.856 -8.536 7.442 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.451 -8.520 4.880 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.768 -8.168 4.373 1.00 0.00 C ATOM 1064 C ILE A 73 -4.703 -6.745 3.849 1.00 0.00 C ATOM 1065 O ILE A 73 -4.259 -5.842 4.551 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.822 -8.273 5.473 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.835 -9.699 6.020 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.197 -7.938 4.892 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.830 -9.794 7.179 1.00 0.00 C ATOM 0 H ILE A 73 -3.188 -8.045 5.744 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.052 -8.857 3.577 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.587 -7.574 6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.111 -10.399 5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.838 -9.978 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.951 -8.012 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.186 -6.923 4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.435 -8.639 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.839 -10.812 7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.534 -9.105 7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.827 -9.533 6.825 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.123 -6.555 2.613 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.079 -5.235 2.005 1.00 0.00 C ATOM 1083 C VAL A 74 -6.481 -4.695 1.768 1.00 0.00 C ATOM 1084 O VAL A 74 -7.339 -5.381 1.214 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.330 -5.309 0.673 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.171 -3.900 0.106 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.947 -5.933 0.894 1.00 0.00 C ATOM 0 H VAL A 74 -5.496 -7.290 2.012 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.561 -4.561 2.687 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.893 -5.924 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.638 -3.948 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.155 -3.458 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.607 -3.287 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.415 -5.985 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.379 -5.321 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.062 -6.938 1.301 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.702 -3.457 2.186 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.999 -2.824 2.007 1.00 0.00 C ATOM 1099 C ASN A 75 -7.814 -1.381 1.565 1.00 0.00 C ATOM 1100 O ASN A 75 -7.115 -0.608 2.219 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.784 -2.868 3.319 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.818 -4.296 3.848 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.613 -5.115 3.381 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.996 -4.647 4.794 1.00 0.00 N ATOM 0 H ASN A 75 -6.004 -2.874 2.649 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.555 -3.363 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.321 -2.209 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.799 -2.505 3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.008 -5.602 5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.340 -3.967 5.178 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.439 -1.020 0.454 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.327 0.339 -0.055 1.00 0.00 C ATOM 1113 C VAL A 76 -9.605 1.112 0.214 1.00 0.00 C ATOM 1114 O VAL A 76 -10.699 0.665 -0.132 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.056 0.320 -1.559 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.859 1.752 -2.057 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.790 -0.496 -1.837 1.00 0.00 C ATOM 0 H VAL A 76 -9.022 -1.641 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.497 0.827 0.456 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.902 -0.132 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.666 1.741 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.759 2.334 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.012 2.204 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.595 -0.511 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.944 -0.042 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.929 -1.516 -1.479 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.463 2.279 0.824 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.613 3.110 1.122 1.00 0.00 C ATOM 1129 C TYR A 77 -10.475 4.445 0.414 1.00 0.00 C ATOM 1130 O TYR A 77 -9.407 5.052 0.434 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.709 3.360 2.629 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.676 2.050 3.379 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.855 1.323 3.579 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.462 1.566 3.879 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.820 0.112 4.281 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.425 0.356 4.580 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.604 -0.372 4.781 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.567 -1.566 5.472 1.00 0.00 O ATOM 0 H TYR A 77 -8.568 2.668 1.120 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.511 2.596 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.883 3.994 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.630 3.895 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.792 1.696 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.553 2.127 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.730 -0.449 4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.488 -0.016 4.966 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.646 -1.756 5.748 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.550 4.918 -0.190 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.495 6.201 -0.864 1.00 0.00 C ATOM 1150 C GLN A 78 -12.142 7.240 0.033 1.00 0.00 C ATOM 1151 O GLN A 78 -13.191 6.993 0.631 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.208 6.137 -2.218 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.701 6.414 -2.043 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.474 5.833 -3.223 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.825 5.435 -4.284 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.700 5.740 -3.177 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.453 4.445 -0.228 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.457 6.471 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.773 6.867 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.063 5.154 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.056 5.973 -1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.876 7.488 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.204 6.052 -2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.212 5.351 -3.969 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.496 8.387 0.155 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.995 9.441 1.015 1.00 0.00 C ATOM 1167 C ILE A 79 -12.779 10.458 0.210 1.00 0.00 C ATOM 1168 O ILE A 79 -12.262 11.075 -0.720 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.813 10.115 1.707 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.999 9.040 2.426 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.323 11.142 2.720 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.715 9.644 2.985 1.00 0.00 C ATOM 0 H ILE A 79 -10.627 8.610 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.664 9.013 1.762 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.191 10.627 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.588 8.606 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.760 8.231 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.476 11.620 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.917 11.897 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.940 10.642 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.141 8.871 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.122 10.057 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.963 10.437 3.690 1.00 0.00 H new ATOM 1184 N SER A 80 -14.040 10.618 0.574 1.00 0.00 N ATOM 1185 CA SER A 80 -14.906 11.547 -0.117 1.00 0.00 C ATOM 1186 C SER A 80 -14.681 12.965 0.385 1.00 0.00 C ATOM 1187 O SER A 80 -13.944 13.192 1.345 1.00 0.00 O ATOM 1188 CB SER A 80 -16.362 11.145 0.090 1.00 0.00 C ATOM 1189 OG SER A 80 -16.788 11.564 1.378 1.00 0.00 O ATOM 0 H SER A 80 -14.483 10.116 1.343 1.00 0.00 H new ATOM 0 HA SER A 80 -14.671 11.518 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.989 11.598 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.470 10.065 -0.007 1.00 0.00 H new ATOM 0 HG SER A 80 -17.724 11.308 1.512 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.308 13.914 -0.290 1.00 0.00 N ATOM 1196 CA GLU A 81 -15.172 15.320 0.061 1.00 0.00 C ATOM 1197 C GLU A 81 -15.618 15.588 1.499 1.00 0.00 C ATOM 1198 O GLU A 81 -15.213 16.582 2.101 1.00 0.00 O ATOM 1199 CB GLU A 81 -16.012 16.165 -0.898 1.00 0.00 C ATOM 1200 CG GLU A 81 -15.475 16.004 -2.321 1.00 0.00 C ATOM 1201 CD GLU A 81 -16.280 16.874 -3.282 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -17.314 17.377 -2.872 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -15.852 17.024 -4.414 1.00 0.00 O ATOM 0 H GLU A 81 -15.919 13.736 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.119 15.589 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.056 15.855 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.978 17.213 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.423 16.286 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.535 14.959 -2.626 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.458 14.714 2.044 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.944 14.901 3.409 1.00 0.00 C ATOM 1212 C ASP A 82 -16.054 14.175 4.418 1.00 0.00 C ATOM 1213 O ASP A 82 -16.309 14.217 5.622 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.378 14.384 3.527 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.401 12.872 3.337 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.338 12.276 3.382 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.479 12.332 3.152 1.00 0.00 O ATOM 0 H ASP A 82 -16.812 13.882 1.572 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.918 15.968 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.788 14.643 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -19.009 14.863 2.779 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.006 13.521 3.927 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.088 12.805 4.810 1.00 0.00 C ATOM 1224 C GLY A 83 -14.573 11.389 5.104 1.00 0.00 C ATOM 1225 O GLY A 83 -14.032 10.710 5.977 1.00 0.00 O ATOM 0 H GLY A 83 -14.772 13.471 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.100 12.763 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.981 13.354 5.745 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.581 10.943 4.367 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.109 9.597 4.559 1.00 0.00 C ATOM 1231 C GLU A 84 -15.281 8.581 3.778 1.00 0.00 C ATOM 1232 O GLU A 84 -14.871 8.843 2.647 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.570 9.534 4.106 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.447 10.301 5.099 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.433 9.602 6.454 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.061 8.441 6.494 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.791 10.237 7.431 1.00 0.00 O ATOM 0 H GLU A 84 -16.046 11.485 3.639 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.053 9.353 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.671 9.963 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.897 8.496 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.083 11.323 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.468 10.363 4.723 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.043 7.424 4.385 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.267 6.378 3.730 1.00 0.00 C ATOM 1246 C GLN A 85 -15.176 5.277 3.203 1.00 0.00 C ATOM 1247 O GLN A 85 -16.169 4.917 3.836 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.252 5.781 4.708 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.074 6.741 4.869 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.096 6.203 5.908 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -9.828 6.499 5.813 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.496 5.490 6.827 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.373 7.188 5.321 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.738 6.827 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.724 5.602 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.901 4.816 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.566 6.869 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.435 7.724 5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.487 5.260 6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.837 5.129 7.516 1.00 0.00 H new ATOM 1261 N SER A 86 -14.825 4.742 2.040 1.00 0.00 N ATOM 1262 CA SER A 86 -15.608 3.676 1.433 1.00 0.00 C ATOM 1263 C SER A 86 -14.687 2.596 0.885 1.00 0.00 C ATOM 1264 O SER A 86 -13.757 2.886 0.131 1.00 0.00 O ATOM 1265 CB SER A 86 -16.464 4.242 0.299 1.00 0.00 C ATOM 1266 OG SER A 86 -17.444 3.283 -0.075 1.00 0.00 O ATOM 0 H SER A 86 -14.007 5.028 1.502 1.00 0.00 H new ATOM 0 HA SER A 86 -16.256 3.240 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.946 5.166 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.836 4.490 -0.557 1.00 0.00 H new ATOM 0 HG SER A 86 -17.995 3.644 -0.801 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.945 1.351 1.262 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.123 0.247 0.788 1.00 0.00 C ATOM 1274 C LEU A 87 -14.418 -0.044 -0.675 1.00 0.00 C ATOM 1275 O LEU A 87 -15.546 -0.380 -1.036 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.386 -1.007 1.621 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.505 -2.149 1.111 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.032 -1.790 1.318 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -13.830 -3.426 1.890 1.00 0.00 C ATOM 0 H LEU A 87 -15.706 1.083 1.886 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.076 0.532 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.173 -0.810 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.437 -1.287 1.555 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.694 -2.308 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.405 -2.604 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.799 -0.878 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.842 -1.632 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.204 -4.242 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.639 -3.264 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.879 -3.683 1.746 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.399 0.089 -1.514 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.566 -0.160 -2.941 1.00 0.00 C ATOM 1293 C ILE A 88 -12.822 -1.420 -3.369 1.00 0.00 C ATOM 1294 O ILE A 88 -13.129 -2.006 -4.407 1.00 0.00 O ATOM 1295 CB ILE A 88 -13.046 1.034 -3.742 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.549 1.207 -3.474 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.796 2.298 -3.317 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.955 2.183 -4.490 1.00 0.00 C ATOM 0 H ILE A 88 -12.457 0.365 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.629 -0.301 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.207 0.862 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.391 1.579 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.044 0.244 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.426 3.150 -3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.862 2.170 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.635 2.476 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.889 2.305 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.099 1.792 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.452 3.149 -4.401 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.840 -1.834 -2.575 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.069 -3.025 -2.909 1.00 0.00 C ATOM 1312 C LEU A 89 -10.452 -3.658 -1.667 1.00 0.00 C ATOM 1313 O LEU A 89 -9.645 -3.038 -0.977 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.956 -2.670 -3.896 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.223 -3.945 -4.322 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.043 -4.678 -5.383 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.853 -3.585 -4.899 1.00 0.00 C ATOM 0 H LEU A 89 -11.563 -1.371 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.753 -3.744 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.376 -2.171 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.256 -1.973 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.092 -4.590 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.520 -5.585 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.018 -4.941 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.177 -4.031 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.335 -4.495 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.982 -2.937 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.264 -3.066 -4.142 1.00 0.00 H new ATOM 1329 N SER A 90 -10.816 -4.909 -1.412 1.00 0.00 N ATOM 1330 CA SER A 90 -10.274 -5.642 -0.277 1.00 0.00 C ATOM 1331 C SER A 90 -9.709 -6.967 -0.770 1.00 0.00 C ATOM 1332 O SER A 90 -10.416 -7.749 -1.406 1.00 0.00 O ATOM 1333 CB SER A 90 -11.367 -5.900 0.762 1.00 0.00 C ATOM 1334 OG SER A 90 -10.796 -6.546 1.893 1.00 0.00 O ATOM 0 H SER A 90 -11.483 -5.436 -1.976 1.00 0.00 H new ATOM 0 HA SER A 90 -9.486 -5.052 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.830 -4.960 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.154 -6.520 0.333 1.00 0.00 H new ATOM 0 HG SER A 90 -10.528 -5.873 2.553 1.00 0.00 H new ATOM 1340 N THR A 91 -8.436 -7.214 -0.493 1.00 0.00 N ATOM 1341 CA THR A 91 -7.804 -8.449 -0.937 1.00 0.00 C ATOM 1342 C THR A 91 -6.612 -8.788 -0.058 1.00 0.00 C ATOM 1343 O THR A 91 -5.946 -7.899 0.461 1.00 0.00 O ATOM 1344 CB THR A 91 -7.336 -8.295 -2.387 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.003 -9.572 -2.913 1.00 0.00 O ATOM 1346 CG2 THR A 91 -6.111 -7.383 -2.433 1.00 0.00 C ATOM 0 H THR A 91 -7.827 -6.585 0.030 1.00 0.00 H new ATOM 0 HA THR A 91 -8.534 -9.256 -0.866 1.00 0.00 H new ATOM 0 HB THR A 91 -8.135 -7.855 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.705 -9.476 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.778 -7.273 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.371 -6.404 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.310 -7.820 -1.837 1.00 0.00 H new ATOM 1354 N SER A 92 -6.337 -10.076 0.091 1.00 0.00 N ATOM 1355 CA SER A 92 -5.209 -10.512 0.901 1.00 0.00 C ATOM 1356 C SER A 92 -4.140 -11.134 0.014 1.00 0.00 C ATOM 1357 O SER A 92 -4.435 -11.627 -1.074 1.00 0.00 O ATOM 1358 CB SER A 92 -5.672 -11.533 1.939 1.00 0.00 C ATOM 1359 OG SER A 92 -6.166 -12.687 1.273 1.00 0.00 O ATOM 0 H SER A 92 -6.874 -10.831 -0.334 1.00 0.00 H new ATOM 0 HA SER A 92 -4.790 -9.646 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.844 -11.804 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.450 -11.101 2.569 1.00 0.00 H new ATOM 0 HG SER A 92 -6.607 -13.275 1.921 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.901 -11.115 0.485 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.805 -11.688 -0.284 1.00 0.00 C ATOM 1367 C GLN A 93 -0.829 -12.417 0.622 1.00 0.00 C ATOM 1368 O GLN A 93 -0.728 -12.129 1.815 1.00 0.00 O ATOM 1369 CB GLN A 93 -1.046 -10.599 -1.039 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.973 -9.897 -2.033 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.147 -9.023 -2.973 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.158 -9.011 -2.863 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.702 -8.343 -3.835 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.631 -10.715 1.384 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.240 -12.392 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.641 -9.873 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.199 -11.036 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.535 -10.635 -2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.701 -9.287 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.719 -8.355 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.146 -7.767 -4.467 1.00 0.00 H new ATOM 1382 N THR A 94 -0.098 -13.350 0.032 1.00 0.00 N ATOM 1383 CA THR A 94 0.892 -14.111 0.767 1.00 0.00 C ATOM 1384 C THR A 94 2.267 -13.868 0.157 1.00 0.00 C ATOM 1385 O THR A 94 2.540 -14.291 -0.966 1.00 0.00 O ATOM 1386 CB THR A 94 0.548 -15.599 0.705 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.840 -15.752 0.439 1.00 0.00 O ATOM 1388 CG2 THR A 94 0.890 -16.259 2.040 1.00 0.00 C ATOM 0 H THR A 94 -0.174 -13.596 -0.955 1.00 0.00 H new ATOM 0 HA THR A 94 0.899 -13.793 1.810 1.00 0.00 H new ATOM 0 HB THR A 94 1.124 -16.073 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.062 -16.706 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.644 -17.320 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.955 -16.141 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.315 -15.787 2.837 1.00 0.00 H new ATOM 1396 N THR A 95 3.125 -13.174 0.894 1.00 0.00 N ATOM 1397 CA THR A 95 4.463 -12.869 0.402 1.00 0.00 C ATOM 1398 C THR A 95 5.170 -14.142 -0.054 1.00 0.00 C ATOM 1399 O THR A 95 4.529 -15.179 -0.069 1.00 0.00 O ATOM 1400 CB THR A 95 5.283 -12.191 1.502 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.348 -13.044 2.635 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.622 -10.869 1.897 1.00 0.00 C ATOM 1403 OXT THR A 95 6.342 -14.060 -0.383 1.00 0.00 O ATOM 0 H THR A 95 2.921 -12.814 1.826 1.00 0.00 H new ATOM 0 HA THR A 95 4.372 -12.194 -0.449 1.00 0.00 H new ATOM 0 HB THR A 95 6.290 -11.995 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.787 -13.833 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.208 -10.389 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.572 -10.213 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.614 -11.062 2.265 1.00 0.00 H new