USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -0.395 K(o=0.078,f=-8.2!) USER MOD Set 1.2: A 90 SER OG : rot 70:sc= 0.472! USER MOD Set 2.1: A 40 TYR OH : rot 145:sc= 1.21 USER MOD Set 2.2: A 50 GLN : amide:sc= -1.32 K(o=-0.11,f=-6.3!) USER MOD Set 3.1: A 21 SER OG : rot 129:sc= 0.459 USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= 1.05 F(o=-3.3!,f=1.5) USER MOD Single : A 20 SER OG : rot 82:sc= -2.18! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 34 SER OG : rot -140:sc= -0.628 USER MOD Single : A 43 SER OG : rot 120:sc= -1.43 USER MOD Single : A 51 TYR OH : rot 89:sc= 0.985 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 -151:sc= -3.28! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 80 SER OG : rot 177:sc= -5.08! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.71 F(o=-6.1!,f=-1.7) 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 -160:sc= -0.114 USER MOD Single : A 93 GLN : amide:sc= -6.04! C(o=-6!,f=-6.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -164:sc= -1.29! USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.485 -7.861 0.557 1.00 0.00 N ATOM 264 CA SER A 20 8.218 -8.581 0.652 1.00 0.00 C ATOM 265 C SER A 20 7.047 -7.630 0.434 1.00 0.00 C ATOM 266 O SER A 20 5.932 -7.882 0.890 1.00 0.00 O ATOM 267 CB SER A 20 8.102 -9.237 2.027 1.00 0.00 C ATOM 268 OG SER A 20 8.959 -8.562 2.938 1.00 0.00 O ATOM 0 HA SER A 20 8.192 -9.349 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.071 -9.194 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.374 -10.291 1.965 1.00 0.00 H new ATOM 0 HG SER A 20 8.512 -7.756 3.271 1.00 0.00 H new ATOM 274 N SER A 21 7.314 -6.528 -0.258 1.00 0.00 N ATOM 275 CA SER A 21 6.287 -5.529 -0.523 1.00 0.00 C ATOM 276 C SER A 21 5.189 -6.078 -1.423 1.00 0.00 C ATOM 277 O SER A 21 5.230 -7.227 -1.862 1.00 0.00 O ATOM 278 CB SER A 21 6.906 -4.312 -1.213 1.00 0.00 C ATOM 279 OG SER A 21 6.529 -4.310 -2.584 1.00 0.00 O ATOM 0 H SER A 21 8.231 -6.305 -0.645 1.00 0.00 H new ATOM 0 HA SER A 21 5.854 -5.249 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.570 -3.395 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.992 -4.341 -1.122 1.00 0.00 H new ATOM 0 HG SER A 21 6.156 -3.435 -2.820 1.00 0.00 H new ATOM 285 N PHE A 22 4.229 -5.214 -1.712 1.00 0.00 N ATOM 286 CA PHE A 22 3.120 -5.554 -2.588 1.00 0.00 C ATOM 287 C PHE A 22 2.789 -4.354 -3.453 1.00 0.00 C ATOM 288 O PHE A 22 2.738 -3.230 -2.958 1.00 0.00 O ATOM 289 CB PHE A 22 1.838 -5.869 -1.801 1.00 0.00 C ATOM 290 CG PHE A 22 1.958 -7.128 -0.988 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.353 -8.327 -1.584 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.631 -7.091 0.368 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.427 -9.496 -0.816 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.707 -8.253 1.139 1.00 0.00 C ATOM 295 CZ PHE A 22 2.105 -9.459 0.546 1.00 0.00 C ATOM 0 H PHE A 22 4.197 -4.262 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 22 3.428 -6.426 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.607 -5.034 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.004 -5.967 -2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.601 -8.353 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.319 -6.162 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.732 -10.425 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.460 -8.222 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.163 -10.359 1.140 1.00 0.00 H new ATOM 305 N VAL A 23 2.486 -4.583 -4.715 1.00 0.00 N ATOM 306 CA VAL A 23 2.078 -3.481 -5.560 1.00 0.00 C ATOM 307 C VAL A 23 0.628 -3.718 -5.924 1.00 0.00 C ATOM 308 O VAL A 23 0.317 -4.548 -6.778 1.00 0.00 O ATOM 309 CB VAL A 23 2.940 -3.379 -6.818 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.232 -2.486 -7.837 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.288 -2.754 -6.456 1.00 0.00 C ATOM 0 H VAL A 23 2.513 -5.496 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 23 2.202 -2.538 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 23 3.096 -4.372 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.841 -2.408 -8.738 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.264 -2.919 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.086 -1.493 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.906 -2.679 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.128 -1.759 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.792 -3.378 -5.718 1.00 0.00 H new ATOM 321 N VAL A 24 -0.257 -3.013 -5.238 1.00 0.00 N ATOM 322 CA VAL A 24 -1.679 -3.187 -5.459 1.00 0.00 C ATOM 323 C VAL A 24 -2.290 -1.961 -6.115 1.00 0.00 C ATOM 324 O VAL A 24 -2.044 -0.828 -5.701 1.00 0.00 O ATOM 325 CB VAL A 24 -2.369 -3.465 -4.121 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.887 -3.480 -4.318 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.906 -4.827 -3.588 1.00 0.00 C ATOM 0 H VAL A 24 -0.016 -2.320 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.824 -4.032 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.108 -2.684 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.376 -3.678 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.214 -2.513 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.154 -4.260 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.395 -5.030 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.169 -5.606 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.825 -4.814 -3.446 1.00 0.00 H new ATOM 337 N SER A 25 -3.098 -2.205 -7.136 1.00 0.00 N ATOM 338 CA SER A 25 -3.759 -1.126 -7.845 1.00 0.00 C ATOM 339 C SER A 25 -5.264 -1.329 -7.796 1.00 0.00 C ATOM 340 O SER A 25 -5.743 -2.456 -7.676 1.00 0.00 O ATOM 341 CB SER A 25 -3.287 -1.075 -9.296 1.00 0.00 C ATOM 342 OG SER A 25 -3.686 -2.267 -9.963 1.00 0.00 O ATOM 0 H SER A 25 -3.310 -3.138 -7.489 1.00 0.00 H new ATOM 0 HA SER A 25 -3.506 -0.181 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.710 -0.205 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.203 -0.969 -9.334 1.00 0.00 H new ATOM 0 HG SER A 25 -3.386 -2.236 -10.895 1.00 0.00 H new ATOM 348 N TRP A 26 -6.007 -0.237 -7.882 1.00 0.00 N ATOM 349 CA TRP A 26 -7.456 -0.321 -7.836 1.00 0.00 C ATOM 350 C TRP A 26 -8.081 0.697 -8.775 1.00 0.00 C ATOM 351 O TRP A 26 -7.388 1.349 -9.555 1.00 0.00 O ATOM 352 CB TRP A 26 -7.938 -0.061 -6.409 1.00 0.00 C ATOM 353 CG TRP A 26 -7.365 1.232 -5.924 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.937 2.446 -6.086 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.120 1.458 -5.205 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.120 3.406 -5.515 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.987 2.844 -4.957 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.100 0.602 -4.747 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.882 3.364 -4.279 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -3.989 1.121 -4.064 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.879 2.499 -3.832 1.00 0.00 C ATOM 0 H TRP A 26 -5.635 0.707 -7.983 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.758 -1.320 -8.152 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.027 -0.023 -6.382 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.631 -0.877 -5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.878 2.636 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.328 4.405 -5.507 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.173 -0.461 -4.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.803 4.426 -4.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.214 0.454 -3.715 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.020 2.892 -3.308 1.00 0.00 H new ATOM 372 N VAL A 27 -9.396 0.831 -8.688 1.00 0.00 N ATOM 373 CA VAL A 27 -10.110 1.776 -9.526 1.00 0.00 C ATOM 374 C VAL A 27 -10.901 2.732 -8.650 1.00 0.00 C ATOM 375 O VAL A 27 -11.676 2.301 -7.794 1.00 0.00 O ATOM 376 CB VAL A 27 -11.061 1.029 -10.461 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.645 2.003 -11.485 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.296 -0.078 -11.186 1.00 0.00 C ATOM 0 H VAL A 27 -9.986 0.299 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.393 2.339 -10.124 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.871 0.590 -9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.323 1.468 -12.151 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.192 2.791 -10.967 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.837 2.445 -12.068 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.973 -0.611 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.485 0.361 -11.767 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.884 -0.774 -10.455 1.00 0.00 H new ATOM 388 N SER A 28 -10.706 4.023 -8.857 1.00 0.00 N ATOM 389 CA SER A 28 -11.419 5.006 -8.059 1.00 0.00 C ATOM 390 C SER A 28 -12.919 4.727 -8.114 1.00 0.00 C ATOM 391 O SER A 28 -13.499 4.626 -9.195 1.00 0.00 O ATOM 392 CB SER A 28 -11.142 6.413 -8.586 1.00 0.00 C ATOM 393 OG SER A 28 -9.807 6.481 -9.069 1.00 0.00 O ATOM 0 H SER A 28 -10.073 4.410 -9.557 1.00 0.00 H new ATOM 0 HA SER A 28 -11.075 4.938 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.842 6.659 -9.384 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.292 7.146 -7.794 1.00 0.00 H new ATOM 0 HG SER A 28 -9.628 7.382 -9.409 1.00 0.00 H new ATOM 446 N VAL A 33 -13.638 11.703 -4.509 1.00 0.00 N ATOM 447 CA VAL A 33 -12.676 11.316 -3.489 1.00 0.00 C ATOM 448 C VAL A 33 -11.620 12.401 -3.327 1.00 0.00 C ATOM 449 O VAL A 33 -11.149 12.972 -4.310 1.00 0.00 O ATOM 450 CB VAL A 33 -12.005 9.993 -3.878 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.529 10.053 -5.329 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.800 9.739 -2.972 1.00 0.00 C ATOM 0 HA VAL A 33 -13.200 11.187 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.730 9.187 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.054 9.109 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.382 10.228 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.811 10.865 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.326 8.798 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.084 10.553 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.130 9.685 -1.935 1.00 0.00 H new ATOM 462 N SER A 34 -11.257 12.685 -2.082 1.00 0.00 N ATOM 463 CA SER A 34 -10.254 13.709 -1.808 1.00 0.00 C ATOM 464 C SER A 34 -8.882 13.066 -1.677 1.00 0.00 C ATOM 465 O SER A 34 -7.853 13.740 -1.727 1.00 0.00 O ATOM 466 CB SER A 34 -10.602 14.447 -0.516 1.00 0.00 C ATOM 467 OG SER A 34 -11.675 15.346 -0.763 1.00 0.00 O ATOM 0 H SER A 34 -11.637 12.227 -1.254 1.00 0.00 H new ATOM 0 HA SER A 34 -10.240 14.421 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.881 13.734 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.732 14.992 -0.150 1.00 0.00 H new ATOM 0 HG SER A 34 -11.517 16.184 -0.280 1.00 0.00 H new ATOM 473 N GLY A 35 -8.887 11.750 -1.515 1.00 0.00 N ATOM 474 CA GLY A 35 -7.655 10.988 -1.381 1.00 0.00 C ATOM 475 C GLY A 35 -7.978 9.521 -1.126 1.00 0.00 C ATOM 476 O GLY A 35 -9.145 9.136 -1.070 1.00 0.00 O ATOM 0 H GLY A 35 -9.736 11.186 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.056 11.086 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.058 11.386 -0.560 1.00 0.00 H new ATOM 480 N PHE A 36 -6.945 8.707 -0.967 1.00 0.00 N ATOM 481 CA PHE A 36 -7.144 7.286 -0.709 1.00 0.00 C ATOM 482 C PHE A 36 -6.382 6.846 0.525 1.00 0.00 C ATOM 483 O PHE A 36 -5.366 7.437 0.885 1.00 0.00 O ATOM 484 CB PHE A 36 -6.654 6.453 -1.893 1.00 0.00 C ATOM 485 CG PHE A 36 -7.567 6.641 -3.071 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.672 5.800 -3.239 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.302 7.648 -4.003 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.515 5.968 -4.341 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.145 7.817 -5.103 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.251 6.977 -5.273 1.00 0.00 C ATOM 0 H PHE A 36 -5.969 9.001 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.212 7.131 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.639 6.748 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.618 5.399 -1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.874 5.022 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.447 8.294 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.369 5.320 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.943 8.596 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.902 7.108 -6.125 1.00 0.00 H new ATOM 500 N ARG A 37 -6.857 5.782 1.150 1.00 0.00 N ATOM 501 CA ARG A 37 -6.182 5.249 2.316 1.00 0.00 C ATOM 502 C ARG A 37 -6.029 3.747 2.162 1.00 0.00 C ATOM 503 O ARG A 37 -7.007 3.034 1.942 1.00 0.00 O ATOM 504 CB ARG A 37 -6.951 5.562 3.598 1.00 0.00 C ATOM 505 CG ARG A 37 -6.033 5.297 4.794 1.00 0.00 C ATOM 506 CD ARG A 37 -6.707 5.757 6.086 1.00 0.00 C ATOM 507 NE ARG A 37 -7.728 4.799 6.498 1.00 0.00 N ATOM 508 CZ ARG A 37 -7.966 4.563 7.784 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.287 5.197 8.701 1.00 0.00 N ATOM 510 NH2 ARG A 37 -8.879 3.698 8.131 1.00 0.00 N ATOM 0 H ARG A 37 -7.698 5.276 0.872 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.202 5.720 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.281 6.601 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.846 4.943 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.800 4.234 4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.088 5.823 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.961 5.864 6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.159 6.738 5.938 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.267 4.303 5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.573 5.874 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.470 5.016 9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.410 3.203 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.061 3.517 9.118 1.00 0.00 H new ATOM 524 N VAL A 38 -4.798 3.271 2.269 1.00 0.00 N ATOM 525 CA VAL A 38 -4.533 1.848 2.128 1.00 0.00 C ATOM 526 C VAL A 38 -4.208 1.232 3.479 1.00 0.00 C ATOM 527 O VAL A 38 -3.443 1.798 4.259 1.00 0.00 O ATOM 528 CB VAL A 38 -3.367 1.625 1.166 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.252 0.133 0.845 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.620 2.412 -0.121 1.00 0.00 C ATOM 0 H VAL A 38 -3.974 3.843 2.451 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.426 1.368 1.728 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.439 1.967 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.421 -0.029 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.077 -0.425 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.177 -0.212 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.791 2.257 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.546 2.068 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.704 3.473 0.112 1.00 0.00 H new ATOM 540 N GLU A 39 -4.794 0.076 3.756 1.00 0.00 N ATOM 541 CA GLU A 39 -4.551 -0.585 5.027 1.00 0.00 C ATOM 542 C GLU A 39 -4.077 -2.014 4.805 1.00 0.00 C ATOM 543 O GLU A 39 -4.697 -2.778 4.067 1.00 0.00 O ATOM 544 CB GLU A 39 -5.836 -0.602 5.855 1.00 0.00 C ATOM 545 CG GLU A 39 -5.521 -1.058 7.280 1.00 0.00 C ATOM 546 CD GLU A 39 -6.815 -1.260 8.060 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.870 -1.039 7.488 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.734 -1.634 9.218 1.00 0.00 O ATOM 0 H GLU A 39 -5.430 -0.416 3.129 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.776 -0.034 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.284 0.392 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.565 -1.273 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.952 -1.988 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.898 -0.316 7.779 1.00 0.00 H new ATOM 555 N TYR A 40 -2.980 -2.372 5.460 1.00 0.00 N ATOM 556 CA TYR A 40 -2.438 -3.716 5.336 1.00 0.00 C ATOM 557 C TYR A 40 -2.001 -4.234 6.703 1.00 0.00 C ATOM 558 O TYR A 40 -1.299 -3.549 7.444 1.00 0.00 O ATOM 559 CB TYR A 40 -1.259 -3.719 4.359 1.00 0.00 C ATOM 560 CG TYR A 40 -0.184 -2.785 4.854 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.351 -1.403 4.719 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.976 -3.296 5.449 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.641 -0.531 5.175 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.969 -2.422 5.905 1.00 0.00 C ATOM 565 CZ TYR A 40 1.801 -1.039 5.768 1.00 0.00 C ATOM 566 OH TYR A 40 2.779 -0.175 6.219 1.00 0.00 O ATOM 0 H TYR A 40 -2.453 -1.755 6.078 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.213 -4.376 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.859 -4.728 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.594 -3.410 3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.247 -1.010 4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.104 -4.363 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.512 0.536 5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.865 -2.814 6.363 1.00 0.00 H new ATOM 0 HH TYR A 40 3.194 -0.543 7.027 1.00 0.00 H new ATOM 576 N GLU A 41 -2.430 -5.450 7.027 1.00 0.00 N ATOM 577 CA GLU A 41 -2.091 -6.061 8.307 1.00 0.00 C ATOM 578 C GLU A 41 -1.895 -7.558 8.129 1.00 0.00 C ATOM 579 O GLU A 41 -2.345 -8.130 7.143 1.00 0.00 O ATOM 580 CB GLU A 41 -3.211 -5.820 9.321 1.00 0.00 C ATOM 581 CG GLU A 41 -4.397 -6.737 9.008 1.00 0.00 C ATOM 582 CD GLU A 41 -5.542 -6.449 9.973 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.269 -5.947 11.052 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.673 -6.744 9.625 1.00 0.00 O ATOM 0 H GLU A 41 -3.012 -6.030 6.422 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.169 -5.610 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.848 -6.011 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.527 -4.777 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.727 -6.582 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.093 -7.781 9.091 1.00 0.00 H new ATOM 591 N LEU A 42 -1.235 -8.193 9.089 1.00 0.00 N ATOM 592 CA LEU A 42 -1.006 -9.631 9.007 1.00 0.00 C ATOM 593 C LEU A 42 -2.280 -10.408 9.305 1.00 0.00 C ATOM 594 O LEU A 42 -2.915 -10.210 10.340 1.00 0.00 O ATOM 595 CB LEU A 42 0.085 -10.049 9.994 1.00 0.00 C ATOM 596 CG LEU A 42 1.418 -9.448 9.556 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.504 -9.828 10.560 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.784 -10.006 8.182 1.00 0.00 C ATOM 0 H LEU A 42 -0.854 -7.744 9.922 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.688 -9.860 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.168 -9.709 10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.158 -11.136 10.034 1.00 0.00 H new ATOM 0 HG LEU A 42 1.335 -8.362 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.456 -9.399 10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.239 -9.444 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.593 -10.913 10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.735 -9.583 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.871 -11.091 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.007 -9.743 7.464 1.00 0.00 H new ATOM 610 N SER A 43 -2.641 -11.300 8.389 1.00 0.00 N ATOM 611 CA SER A 43 -3.837 -12.115 8.560 1.00 0.00 C ATOM 612 C SER A 43 -3.599 -13.180 9.624 1.00 0.00 C ATOM 613 O SER A 43 -4.541 -13.730 10.194 1.00 0.00 O ATOM 614 CB SER A 43 -4.187 -12.803 7.243 1.00 0.00 C ATOM 615 OG SER A 43 -3.368 -13.952 7.090 1.00 0.00 O ATOM 0 H SER A 43 -2.126 -11.476 7.526 1.00 0.00 H new ATOM 0 HA SER A 43 -4.657 -11.467 8.869 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.239 -13.087 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.035 -12.118 6.409 1.00 0.00 H new ATOM 0 HG SER A 43 -3.933 -14.751 7.029 1.00 0.00 H new ATOM 621 N GLU A 44 -2.327 -13.474 9.872 1.00 0.00 N ATOM 622 CA GLU A 44 -1.956 -14.488 10.853 1.00 0.00 C ATOM 623 C GLU A 44 -1.817 -13.882 12.245 1.00 0.00 C ATOM 624 O GLU A 44 -2.654 -14.106 13.119 1.00 0.00 O ATOM 625 CB GLU A 44 -0.629 -15.136 10.449 1.00 0.00 C ATOM 626 CG GLU A 44 -0.754 -15.707 9.035 1.00 0.00 C ATOM 627 CD GLU A 44 0.506 -16.481 8.665 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.512 -16.292 9.329 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.446 -17.258 7.726 1.00 0.00 O ATOM 0 H GLU A 44 -1.537 -13.026 9.408 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.746 -15.239 10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.174 -14.400 10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.369 -15.928 11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.623 -16.363 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.915 -14.899 8.322 1.00 0.00 H new ATOM 685 N PRO A 49 -3.036 -2.724 12.327 1.00 0.00 N ATOM 686 CA PRO A 49 -3.049 -2.283 10.905 1.00 0.00 C ATOM 687 C PRO A 49 -2.263 -0.995 10.679 1.00 0.00 C ATOM 688 O PRO A 49 -2.158 -0.150 11.569 1.00 0.00 O ATOM 689 CB PRO A 49 -4.533 -2.062 10.621 1.00 0.00 C ATOM 690 CG PRO A 49 -5.120 -1.678 11.940 1.00 0.00 C ATOM 691 CD PRO A 49 -4.315 -2.431 13.000 1.00 0.00 C ATOM 0 HA PRO A 49 -2.576 -3.014 10.249 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.681 -1.278 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.000 -2.965 10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.057 -0.601 12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.175 -1.946 11.989 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.167 -1.826 13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.821 -3.344 13.313 1.00 0.00 H new ATOM 699 N GLN A 50 -1.739 -0.848 9.471 1.00 0.00 N ATOM 700 CA GLN A 50 -0.991 0.345 9.104 1.00 0.00 C ATOM 701 C GLN A 50 -1.767 1.082 8.024 1.00 0.00 C ATOM 702 O GLN A 50 -2.441 0.453 7.212 1.00 0.00 O ATOM 703 CB GLN A 50 0.391 -0.043 8.580 1.00 0.00 C ATOM 704 CG GLN A 50 1.123 -0.862 9.643 1.00 0.00 C ATOM 705 CD GLN A 50 2.033 -1.887 8.976 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.045 -1.524 8.377 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.726 -3.155 9.041 1.00 0.00 N ATOM 0 H GLN A 50 -1.818 -1.541 8.727 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.860 0.986 9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.295 -0.621 7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.964 0.851 8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.711 -0.202 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.402 -1.367 10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.886 -3.452 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.326 -3.849 8.594 1.00 0.00 H new ATOM 716 N TYR A 51 -1.703 2.405 8.019 1.00 0.00 N ATOM 717 CA TYR A 51 -2.452 3.162 7.025 1.00 0.00 C ATOM 718 C TYR A 51 -1.556 4.075 6.191 1.00 0.00 C ATOM 719 O TYR A 51 -0.678 4.762 6.713 1.00 0.00 O ATOM 720 CB TYR A 51 -3.526 3.999 7.718 1.00 0.00 C ATOM 721 CG TYR A 51 -4.521 3.092 8.402 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.516 2.453 7.652 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.452 2.894 9.787 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.443 1.616 8.288 1.00 0.00 C ATOM 725 CE2 TYR A 51 -5.381 2.059 10.422 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.375 1.420 9.673 1.00 0.00 C ATOM 727 OH TYR A 51 -7.291 0.598 10.300 1.00 0.00 O ATOM 0 H TYR A 51 -1.156 2.965 8.673 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.910 2.442 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.066 4.665 8.448 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.036 4.629 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.569 2.605 6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.683 3.385 10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.210 1.122 7.710 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.330 1.909 11.490 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.959 -0.324 10.297 1.00 0.00 H new ATOM 737 N LEU A 52 -1.820 4.087 4.885 1.00 0.00 N ATOM 738 CA LEU A 52 -1.078 4.927 3.950 1.00 0.00 C ATOM 739 C LEU A 52 -2.058 5.814 3.194 1.00 0.00 C ATOM 740 O LEU A 52 -3.107 5.348 2.761 1.00 0.00 O ATOM 741 CB LEU A 52 -0.302 4.054 2.963 1.00 0.00 C ATOM 742 CG LEU A 52 0.636 3.133 3.736 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.310 2.159 2.768 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.704 3.975 4.437 1.00 0.00 C ATOM 0 H LEU A 52 -2.548 3.520 4.450 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.370 5.546 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.993 3.465 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.268 4.680 2.276 1.00 0.00 H new ATOM 0 HG LEU A 52 0.067 2.571 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.980 1.501 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.550 1.562 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.881 2.719 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.377 3.321 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.272 4.535 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.225 4.670 5.126 1.00 0.00 H new ATOM 756 N ASP A 53 -1.736 7.093 3.058 1.00 0.00 N ATOM 757 CA ASP A 53 -2.641 8.012 2.372 1.00 0.00 C ATOM 758 C ASP A 53 -2.109 8.438 1.005 1.00 0.00 C ATOM 759 O ASP A 53 -0.937 8.786 0.860 1.00 0.00 O ATOM 760 CB ASP A 53 -2.864 9.246 3.240 1.00 0.00 C ATOM 761 CG ASP A 53 -3.435 8.826 4.589 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.177 7.859 4.620 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.116 9.473 5.573 1.00 0.00 O ATOM 0 H ASP A 53 -0.874 7.514 3.405 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.582 7.487 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.923 9.778 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.548 9.934 2.743 1.00 0.00 H new ATOM 768 N LEU A 54 -2.992 8.415 0.007 1.00 0.00 N ATOM 769 CA LEU A 54 -2.623 8.808 -1.349 1.00 0.00 C ATOM 770 C LEU A 54 -3.626 9.826 -1.889 1.00 0.00 C ATOM 771 O LEU A 54 -4.783 9.844 -1.473 1.00 0.00 O ATOM 772 CB LEU A 54 -2.621 7.588 -2.269 1.00 0.00 C ATOM 773 CG LEU A 54 -2.058 6.375 -1.531 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.357 5.115 -2.340 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.546 6.533 -1.375 1.00 0.00 C ATOM 0 H LEU A 54 -3.965 8.129 0.113 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.626 9.249 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.635 7.378 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.023 7.793 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.518 6.297 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.958 4.245 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.435 5.005 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.892 5.195 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.142 5.668 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.084 6.606 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.332 7.437 -0.805 1.00 0.00 H new ATOM 787 N PRO A 55 -3.210 10.658 -2.807 1.00 0.00 N ATOM 788 CA PRO A 55 -4.102 11.689 -3.415 1.00 0.00 C ATOM 789 C PRO A 55 -5.251 11.067 -4.213 1.00 0.00 C ATOM 790 O PRO A 55 -5.159 9.928 -4.669 1.00 0.00 O ATOM 791 CB PRO A 55 -3.181 12.508 -4.324 1.00 0.00 C ATOM 792 CG PRO A 55 -1.951 11.683 -4.533 1.00 0.00 C ATOM 793 CD PRO A 55 -1.847 10.711 -3.358 1.00 0.00 C ATOM 0 HA PRO A 55 -4.587 12.296 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.668 12.727 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.933 13.465 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.009 11.140 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.067 12.318 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.512 9.727 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.131 11.061 -2.615 1.00 0.00 H new ATOM 801 N SER A 56 -6.331 11.830 -4.372 1.00 0.00 N ATOM 802 CA SER A 56 -7.500 11.356 -5.112 1.00 0.00 C ATOM 803 C SER A 56 -7.122 10.957 -6.536 1.00 0.00 C ATOM 804 O SER A 56 -7.886 10.275 -7.220 1.00 0.00 O ATOM 805 CB SER A 56 -8.573 12.446 -5.153 1.00 0.00 C ATOM 806 OG SER A 56 -7.984 13.672 -5.573 1.00 0.00 O ATOM 0 H SER A 56 -6.421 12.775 -4.000 1.00 0.00 H new ATOM 0 HA SER A 56 -7.892 10.478 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.372 12.160 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.024 12.565 -4.168 1.00 0.00 H new ATOM 0 HG SER A 56 -8.670 14.371 -5.602 1.00 0.00 H new ATOM 812 N THR A 57 -5.947 11.387 -6.982 1.00 0.00 N ATOM 813 CA THR A 57 -5.495 11.062 -8.332 1.00 0.00 C ATOM 814 C THR A 57 -4.687 9.767 -8.329 1.00 0.00 C ATOM 815 O THR A 57 -4.335 9.243 -9.385 1.00 0.00 O ATOM 816 CB THR A 57 -4.630 12.201 -8.877 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.370 12.193 -8.221 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.327 13.540 -8.624 1.00 0.00 C ATOM 0 H THR A 57 -5.297 11.954 -6.438 1.00 0.00 H new ATOM 0 HA THR A 57 -6.370 10.930 -8.968 1.00 0.00 H new ATOM 0 HB THR A 57 -4.484 12.065 -9.949 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.815 12.921 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.710 14.350 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.294 13.547 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.474 13.677 -7.553 1.00 0.00 H new ATOM 826 N ALA A 58 -4.400 9.256 -7.135 1.00 0.00 N ATOM 827 CA ALA A 58 -3.636 8.019 -7.005 1.00 0.00 C ATOM 828 C ALA A 58 -4.550 6.804 -7.125 1.00 0.00 C ATOM 829 O ALA A 58 -5.641 6.782 -6.556 1.00 0.00 O ATOM 830 CB ALA A 58 -2.922 7.991 -5.658 1.00 0.00 C ATOM 0 H ALA A 58 -4.683 9.676 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.901 7.983 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.354 7.065 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.244 8.842 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.657 8.046 -4.855 1.00 0.00 H new ATOM 836 N THR A 59 -4.099 5.795 -7.862 1.00 0.00 N ATOM 837 CA THR A 59 -4.894 4.585 -8.038 1.00 0.00 C ATOM 838 C THR A 59 -4.040 3.330 -7.855 1.00 0.00 C ATOM 839 O THR A 59 -4.466 2.229 -8.202 1.00 0.00 O ATOM 840 CB THR A 59 -5.541 4.581 -9.426 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.564 4.903 -10.406 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.672 5.614 -9.466 1.00 0.00 C ATOM 0 H THR A 59 -3.199 5.789 -8.342 1.00 0.00 H new ATOM 0 HA THR A 59 -5.673 4.578 -7.276 1.00 0.00 H new ATOM 0 HB THR A 59 -5.948 3.592 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.978 4.899 -11.294 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.133 5.611 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.421 5.362 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.268 6.604 -9.257 1.00 0.00 H new ATOM 850 N SER A 60 -2.840 3.495 -7.303 1.00 0.00 N ATOM 851 CA SER A 60 -1.955 2.353 -7.077 1.00 0.00 C ATOM 852 C SER A 60 -0.831 2.726 -6.116 1.00 0.00 C ATOM 853 O SER A 60 -0.355 3.861 -6.119 1.00 0.00 O ATOM 854 CB SER A 60 -1.361 1.877 -8.402 1.00 0.00 C ATOM 855 OG SER A 60 -0.387 2.815 -8.841 1.00 0.00 O ATOM 0 H SER A 60 -2.461 4.395 -7.007 1.00 0.00 H new ATOM 0 HA SER A 60 -2.542 1.548 -6.635 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.907 0.894 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.147 1.773 -9.150 1.00 0.00 H new ATOM 0 HG SER A 60 -0.002 2.513 -9.690 1.00 0.00 H new ATOM 861 N VAL A 61 -0.417 1.770 -5.287 1.00 0.00 N ATOM 862 CA VAL A 61 0.647 2.034 -4.324 1.00 0.00 C ATOM 863 C VAL A 61 1.399 0.762 -3.942 1.00 0.00 C ATOM 864 O VAL A 61 0.835 -0.330 -3.924 1.00 0.00 O ATOM 865 CB VAL A 61 0.057 2.655 -3.065 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.603 1.561 -2.218 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.169 3.333 -2.261 1.00 0.00 C ATOM 0 H VAL A 61 -0.794 0.823 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 61 1.352 2.719 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.692 3.398 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.026 2.004 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.396 1.084 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.143 0.816 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.747 3.778 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.920 2.593 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.633 4.111 -2.867 1.00 0.00 H new ATOM 877 N ASN A 62 2.674 0.931 -3.608 1.00 0.00 N ATOM 878 CA ASN A 62 3.509 -0.188 -3.190 1.00 0.00 C ATOM 879 C ASN A 62 3.679 -0.155 -1.671 1.00 0.00 C ATOM 880 O ASN A 62 4.023 0.882 -1.108 1.00 0.00 O ATOM 881 CB ASN A 62 4.880 -0.107 -3.867 1.00 0.00 C ATOM 882 CG ASN A 62 5.790 -1.214 -3.343 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.359 -2.445 -3.313 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.924 -0.947 -2.944 1.00 0.00 N flip ATOM 0 H ASN A 62 3.151 1.832 -3.619 1.00 0.00 H new ATOM 0 HA ASN A 62 3.028 -1.121 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.767 -0.199 -4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.332 0.867 -3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.260 0.016 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.528 -1.689 -2.589 1.00 0.00 H new ATOM 891 N ILE A 63 3.423 -1.285 -1.013 1.00 0.00 N ATOM 892 CA ILE A 63 3.542 -1.357 0.446 1.00 0.00 C ATOM 893 C ILE A 63 4.866 -2.001 0.857 1.00 0.00 C ATOM 894 O ILE A 63 5.020 -3.217 0.759 1.00 0.00 O ATOM 895 CB ILE A 63 2.391 -2.183 1.017 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.093 -1.830 0.284 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.240 -1.884 2.510 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.104 -2.297 1.111 1.00 0.00 C ATOM 0 H ILE A 63 3.135 -2.156 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 63 3.507 -0.341 0.839 1.00 0.00 H new ATOM 0 HB ILE A 63 2.602 -3.244 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.037 -0.754 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.077 -2.304 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.419 -2.473 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.164 -2.142 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.030 -0.824 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.027 -2.046 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.050 -3.376 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.090 -1.803 2.082 1.00 0.00 H new ATOM 910 N PRO A 64 5.821 -1.222 1.310 1.00 0.00 N ATOM 911 CA PRO A 64 7.147 -1.736 1.728 1.00 0.00 C ATOM 912 C PRO A 64 7.204 -2.120 3.207 1.00 0.00 C ATOM 913 O PRO A 64 6.227 -1.987 3.943 1.00 0.00 O ATOM 914 CB PRO A 64 8.063 -0.551 1.443 1.00 0.00 C ATOM 915 CG PRO A 64 7.219 0.660 1.680 1.00 0.00 C ATOM 916 CD PRO A 64 5.755 0.238 1.479 1.00 0.00 C ATOM 0 HA PRO A 64 7.417 -2.653 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.934 -0.559 2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.435 -0.578 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.374 1.046 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.488 1.458 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.140 0.512 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.318 0.721 0.605 1.00 0.00 H new ATOM 924 N ASP A 65 8.376 -2.585 3.615 1.00 0.00 N ATOM 925 CA ASP A 65 8.627 -2.994 4.995 1.00 0.00 C ATOM 926 C ASP A 65 7.694 -4.118 5.428 1.00 0.00 C ATOM 927 O ASP A 65 7.263 -4.170 6.580 1.00 0.00 O ATOM 928 CB ASP A 65 8.451 -1.802 5.939 1.00 0.00 C ATOM 929 CG ASP A 65 9.513 -0.745 5.655 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.398 -1.019 4.861 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.428 0.323 6.238 1.00 0.00 O ATOM 0 H ASP A 65 9.183 -2.691 3.000 1.00 0.00 H new ATOM 0 HA ASP A 65 9.652 -3.360 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.457 -1.373 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.526 -2.134 6.974 1.00 0.00 H new ATOM 936 N LEU A 66 7.403 -5.027 4.509 1.00 0.00 N ATOM 937 CA LEU A 66 6.540 -6.159 4.817 1.00 0.00 C ATOM 938 C LEU A 66 7.379 -7.353 5.270 1.00 0.00 C ATOM 939 O LEU A 66 8.530 -7.500 4.859 1.00 0.00 O ATOM 940 CB LEU A 66 5.707 -6.532 3.590 1.00 0.00 C ATOM 941 CG LEU A 66 4.902 -5.312 3.133 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.877 -5.743 2.081 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.172 -4.702 4.333 1.00 0.00 C ATOM 0 H LEU A 66 7.749 -5.004 3.550 1.00 0.00 H new ATOM 0 HA LEU A 66 5.866 -5.879 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.358 -6.875 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.035 -7.356 3.830 1.00 0.00 H new ATOM 0 HG LEU A 66 5.577 -4.572 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.303 -4.875 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.394 -6.178 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.202 -6.483 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.599 -3.834 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.497 -5.442 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.900 -4.396 5.084 1.00 0.00 H new ATOM 955 N LEU A 67 6.804 -8.199 6.122 1.00 0.00 N ATOM 956 CA LEU A 67 7.514 -9.368 6.625 1.00 0.00 C ATOM 957 C LEU A 67 7.305 -10.570 5.700 1.00 0.00 C ATOM 958 O LEU A 67 6.201 -11.110 5.624 1.00 0.00 O ATOM 959 CB LEU A 67 6.994 -9.728 8.018 1.00 0.00 C ATOM 960 CG LEU A 67 7.592 -8.781 9.057 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.763 -8.848 10.341 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.032 -9.204 9.359 1.00 0.00 C ATOM 0 H LEU A 67 5.853 -8.096 6.476 1.00 0.00 H new ATOM 0 HA LEU A 67 8.576 -9.127 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.906 -9.663 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.256 -10.758 8.259 1.00 0.00 H new ATOM 0 HG LEU A 67 7.584 -7.762 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.188 -8.173 11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.736 -8.552 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.774 -9.867 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.461 -8.530 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.038 -10.222 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.623 -9.161 8.444 1.00 0.00 H new ATOM 974 N PRO A 68 8.330 -11.009 5.008 1.00 0.00 N ATOM 975 CA PRO A 68 8.226 -12.184 4.092 1.00 0.00 C ATOM 976 C PRO A 68 7.758 -13.437 4.826 1.00 0.00 C ATOM 977 O PRO A 68 8.131 -13.669 5.975 1.00 0.00 O ATOM 978 CB PRO A 68 9.646 -12.386 3.552 1.00 0.00 C ATOM 979 CG PRO A 68 10.401 -11.133 3.861 1.00 0.00 C ATOM 980 CD PRO A 68 9.684 -10.440 5.020 1.00 0.00 C ATOM 0 HA PRO A 68 7.494 -12.007 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.119 -13.249 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.630 -12.574 2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.432 -11.363 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.437 -10.482 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.186 -10.631 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.661 -9.359 4.883 1.00 0.00 H new ATOM 988 N GLY A 69 6.952 -14.247 4.149 1.00 0.00 N ATOM 989 CA GLY A 69 6.452 -15.480 4.742 1.00 0.00 C ATOM 990 C GLY A 69 5.225 -15.223 5.612 1.00 0.00 C ATOM 991 O GLY A 69 4.785 -16.104 6.351 1.00 0.00 O ATOM 0 H GLY A 69 6.633 -14.073 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.198 -16.188 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.236 -15.940 5.343 1.00 0.00 H new ATOM 995 N ARG A 70 4.666 -14.021 5.512 1.00 0.00 N ATOM 996 CA ARG A 70 3.481 -13.677 6.289 1.00 0.00 C ATOM 997 C ARG A 70 2.367 -13.239 5.352 1.00 0.00 C ATOM 998 O ARG A 70 2.624 -12.638 4.309 1.00 0.00 O ATOM 999 CB ARG A 70 3.799 -12.556 7.282 1.00 0.00 C ATOM 1000 CG ARG A 70 5.091 -12.887 8.030 1.00 0.00 C ATOM 1001 CD ARG A 70 4.808 -13.951 9.091 1.00 0.00 C ATOM 1002 NE ARG A 70 5.040 -13.409 10.425 1.00 0.00 N ATOM 1003 CZ ARG A 70 6.198 -12.841 10.743 1.00 0.00 C ATOM 1004 NH1 ARG A 70 7.150 -12.766 9.855 1.00 0.00 N ATOM 1005 NH2 ARG A 70 6.384 -12.361 11.943 1.00 0.00 N ATOM 0 H ARG A 70 5.010 -13.276 4.907 1.00 0.00 H new ATOM 0 HA ARG A 70 3.159 -14.555 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.905 -11.608 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.977 -12.438 7.989 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.846 -13.247 7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.493 -11.989 8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.777 -14.295 9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.448 -14.818 8.927 1.00 0.00 H new ATOM 0 HE ARG A 70 4.301 -13.467 11.125 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.005 -13.143 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.040 -12.330 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.640 -12.422 12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.274 -11.925 12.186 1.00 0.00 H new ATOM 1019 N LYS A 71 1.128 -13.540 5.721 1.00 0.00 N ATOM 1020 CA LYS A 71 0.000 -13.168 4.888 1.00 0.00 C ATOM 1021 C LYS A 71 -0.588 -11.848 5.358 1.00 0.00 C ATOM 1022 O LYS A 71 -0.791 -11.637 6.553 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.071 -14.255 4.935 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.074 -14.020 3.805 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.216 -15.030 3.915 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.056 -14.987 2.638 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.875 -16.228 2.545 1.00 0.00 N ATOM 0 H LYS A 71 0.884 -14.034 6.580 1.00 0.00 H new ATOM 0 HA LYS A 71 0.349 -13.056 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.613 -15.239 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.580 -14.240 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.467 -13.005 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.579 -14.119 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.816 -16.033 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.838 -14.800 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.703 -14.110 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.408 -14.899 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.448 -16.202 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.248 -17.057 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.502 -16.293 3.372 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.859 -10.964 4.412 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.425 -9.665 4.746 1.00 0.00 C ATOM 1043 C TYR A 72 -2.795 -9.467 4.109 1.00 0.00 C ATOM 1044 O TYR A 72 -3.066 -9.962 3.015 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.533 -8.532 4.237 1.00 0.00 C ATOM 1046 CG TYR A 72 0.828 -8.560 4.885 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.719 -9.600 4.605 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.208 -7.525 5.749 1.00 0.00 C ATOM 1049 CE1 TYR A 72 2.989 -9.608 5.191 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.480 -7.529 6.331 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.371 -8.573 6.052 1.00 0.00 C ATOM 1052 OH TYR A 72 4.625 -8.579 6.622 1.00 0.00 O ATOM 0 H TYR A 72 -0.699 -11.118 3.417 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.506 -9.641 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.423 -8.613 3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.012 -7.574 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.427 -10.397 3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.518 -6.723 5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.676 -10.414 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.774 -6.729 6.994 1.00 0.00 H new ATOM 0 HH TYR A 72 4.594 -8.119 7.487 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.623 -8.674 4.776 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.934 -8.330 4.251 1.00 0.00 C ATOM 1064 C ILE A 73 -4.878 -6.877 3.834 1.00 0.00 C ATOM 1065 O ILE A 73 -4.576 -6.009 4.648 1.00 0.00 O ATOM 1066 CB ILE A 73 -6.017 -8.522 5.307 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.977 -9.960 5.805 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.388 -8.233 4.692 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.911 -10.111 7.004 1.00 0.00 C ATOM 0 H ILE A 73 -3.408 -8.258 5.682 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.181 -8.977 3.409 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.844 -7.839 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.278 -10.640 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.959 -10.230 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.162 -8.370 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.414 -7.206 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.566 -8.917 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.882 -11.141 7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.590 -9.442 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.929 -9.858 6.706 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.150 -6.609 2.573 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.096 -5.244 2.087 1.00 0.00 C ATOM 1083 C VAL A 74 -6.475 -4.753 1.682 1.00 0.00 C ATOM 1084 O VAL A 74 -7.204 -5.426 0.955 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.141 -5.149 0.897 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.049 -3.691 0.443 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.750 -5.640 1.318 1.00 0.00 C ATOM 0 H VAL A 74 -5.407 -7.306 1.874 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.731 -4.611 2.896 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.511 -5.767 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.369 -3.616 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.037 -3.339 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.675 -3.078 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.068 -5.573 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.377 -5.021 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.815 -6.676 1.650 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.817 -3.568 2.163 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.103 -2.970 1.858 1.00 0.00 C ATOM 1099 C ASN A 75 -7.911 -1.514 1.466 1.00 0.00 C ATOM 1100 O ASN A 75 -7.213 -0.766 2.153 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.012 -3.067 3.082 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.078 -4.514 3.550 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.791 -5.328 2.962 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.367 -4.887 4.578 1.00 0.00 N ATOM 0 H ASN A 75 -6.220 -3.003 2.767 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.564 -3.502 1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.632 -2.432 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.011 -2.707 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.401 -5.855 4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.777 -4.210 5.063 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.521 -1.115 0.361 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.389 0.258 -0.101 1.00 0.00 C ATOM 1113 C VAL A 76 -9.662 1.039 0.177 1.00 0.00 C ATOM 1114 O VAL A 76 -10.762 0.588 -0.140 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.103 0.280 -1.602 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.710 1.695 -2.026 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.961 -0.686 -1.917 1.00 0.00 C ATOM 0 H VAL A 76 -9.104 -1.712 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.562 0.721 0.436 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.996 -0.025 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.506 1.711 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.526 2.382 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.817 2.003 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.756 -0.671 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.067 -0.382 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.244 -1.695 -1.616 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.507 2.219 0.761 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.649 3.062 1.064 1.00 0.00 C ATOM 1129 C TYR A 77 -10.472 4.419 0.406 1.00 0.00 C ATOM 1130 O TYR A 77 -9.386 4.995 0.451 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.767 3.266 2.576 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.829 1.929 3.270 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.066 1.316 3.502 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.649 1.306 3.693 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.121 0.078 4.155 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.704 0.071 4.346 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.939 -0.543 4.578 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.993 -1.761 5.223 1.00 0.00 O ATOM 0 H TYR A 77 -8.605 2.611 1.032 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.549 2.576 0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.914 3.837 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.661 3.846 2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.977 1.797 3.178 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.695 1.780 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.074 -0.397 4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.793 -0.409 4.671 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.085 -2.053 5.448 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.533 4.946 -0.180 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.441 6.256 -0.805 1.00 0.00 C ATOM 1150 C GLN A 78 -12.046 7.286 0.136 1.00 0.00 C ATOM 1151 O GLN A 78 -13.086 7.044 0.750 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.172 6.271 -2.149 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.651 6.588 -1.929 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.437 6.319 -3.208 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.797 6.041 -4.312 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.667 6.366 -3.202 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.449 4.500 -0.237 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.394 6.494 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.725 7.015 -2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.067 5.304 -2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.045 5.979 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.768 7.630 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.165 6.583 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.188 6.188 -4.060 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.378 8.423 0.275 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.850 9.461 1.178 1.00 0.00 C ATOM 1167 C ILE A 79 -12.595 10.550 0.428 1.00 0.00 C ATOM 1168 O ILE A 79 -12.073 11.153 -0.509 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.665 10.075 1.918 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.883 8.960 2.610 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.170 11.068 2.964 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.658 9.541 3.314 1.00 0.00 C ATOM 0 H ILE A 79 -10.516 8.648 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.538 9.003 1.889 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.020 10.598 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.521 8.451 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.573 8.214 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.321 11.505 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.737 11.858 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.812 10.551 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.106 8.739 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.015 10.029 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.978 10.270 4.059 1.00 0.00 H new ATOM 1184 N SER A 80 -13.816 10.802 0.866 1.00 0.00 N ATOM 1185 CA SER A 80 -14.636 11.825 0.255 1.00 0.00 C ATOM 1186 C SER A 80 -14.303 13.182 0.862 1.00 0.00 C ATOM 1187 O SER A 80 -13.586 13.268 1.858 1.00 0.00 O ATOM 1188 CB SER A 80 -16.110 11.499 0.467 1.00 0.00 C ATOM 1189 OG SER A 80 -16.472 11.799 1.806 1.00 0.00 O ATOM 0 H SER A 80 -14.259 10.311 1.643 1.00 0.00 H new ATOM 0 HA SER A 80 -14.434 11.859 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.724 12.075 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.295 10.446 0.256 1.00 0.00 H new ATOM 0 HG SER A 80 -17.431 11.637 1.930 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.814 14.237 0.250 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.552 15.587 0.728 1.00 0.00 C ATOM 1197 C GLU A 81 -15.045 15.782 2.163 1.00 0.00 C ATOM 1198 O GLU A 81 -14.648 16.735 2.833 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.223 16.598 -0.200 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.542 16.548 -1.571 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.183 17.558 -2.516 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -15.988 18.348 -2.050 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.866 17.522 -3.693 1.00 0.00 O ATOM 0 H GLU A 81 -15.411 14.187 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.474 15.745 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.285 16.371 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.149 17.601 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.479 16.763 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.624 15.545 -1.989 1.00 0.00 H new ATOM 1210 N ASP A 82 -15.906 14.885 2.634 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.426 14.998 3.996 1.00 0.00 C ATOM 1212 C ASP A 82 -15.621 14.129 4.964 1.00 0.00 C ATOM 1213 O ASP A 82 -15.911 14.091 6.160 1.00 0.00 O ATOM 1214 CB ASP A 82 -17.893 14.572 4.040 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.003 13.070 3.814 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -16.977 12.413 3.851 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.110 12.598 3.619 1.00 0.00 O ATOM 0 H ASP A 82 -16.254 14.085 2.106 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.338 16.041 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.329 14.837 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.459 15.106 3.277 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.611 13.436 4.447 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.780 12.578 5.288 1.00 0.00 C ATOM 1224 C GLY A 83 -14.371 11.178 5.424 1.00 0.00 C ATOM 1225 O GLY A 83 -13.968 10.408 6.297 1.00 0.00 O ATOM 0 H GLY A 83 -14.349 13.450 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.779 12.511 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.677 13.027 6.276 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.320 10.846 4.556 1.00 0.00 N ATOM 1230 CA GLU A 84 -15.943 9.526 4.593 1.00 0.00 C ATOM 1231 C GLU A 84 -15.101 8.505 3.837 1.00 0.00 C ATOM 1232 O GLU A 84 -14.527 8.810 2.791 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.347 9.587 3.986 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.322 10.171 5.011 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.428 9.236 6.213 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.068 8.079 6.070 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.866 9.691 7.256 1.00 0.00 O ATOM 0 H GLU A 84 -15.673 11.464 3.825 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.013 9.215 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.339 10.201 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.670 8.589 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.980 11.155 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.303 10.307 4.557 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.041 7.289 4.371 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.277 6.222 3.738 1.00 0.00 C ATOM 1246 C GLN A 85 -15.201 5.113 3.259 1.00 0.00 C ATOM 1247 O GLN A 85 -16.158 4.749 3.941 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.261 5.645 4.723 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.084 6.607 4.861 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.128 6.108 5.938 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -9.841 6.163 5.730 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.565 5.652 6.995 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.510 7.020 5.236 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.752 6.642 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.730 5.485 5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.911 4.673 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.560 6.693 3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.445 7.603 5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.572 5.610 7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.920 5.316 7.711 1.00 0.00 H new ATOM 1261 N SER A 86 -14.899 4.571 2.085 1.00 0.00 N ATOM 1262 CA SER A 86 -15.699 3.492 1.524 1.00 0.00 C ATOM 1263 C SER A 86 -14.788 2.415 0.956 1.00 0.00 C ATOM 1264 O SER A 86 -13.833 2.714 0.237 1.00 0.00 O ATOM 1265 CB SER A 86 -16.607 4.029 0.420 1.00 0.00 C ATOM 1266 OG SER A 86 -17.603 3.061 0.118 1.00 0.00 O ATOM 0 H SER A 86 -14.110 4.860 1.507 1.00 0.00 H new ATOM 0 HA SER A 86 -16.315 3.064 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.074 4.961 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.021 4.255 -0.471 1.00 0.00 H new ATOM 0 HG SER A 86 -18.188 3.404 -0.589 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.080 1.162 1.278 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.267 0.061 0.785 1.00 0.00 C ATOM 1274 C LEU A 87 -14.511 -0.151 -0.701 1.00 0.00 C ATOM 1275 O LEU A 87 -15.622 -0.476 -1.118 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.605 -1.219 1.550 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.717 -2.367 1.061 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.305 -2.204 1.628 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.299 -3.706 1.532 1.00 0.00 C ATOM 0 H LEU A 87 -15.863 0.886 1.870 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.216 0.306 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.458 -1.064 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.655 -1.473 1.406 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.677 -2.349 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.676 -3.022 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.886 -1.255 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.346 -2.218 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.665 -4.521 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.342 -3.721 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.304 -3.829 1.127 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.468 0.047 -1.498 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.589 -0.115 -2.940 1.00 0.00 C ATOM 1293 C ILE A 88 -12.851 -1.362 -3.409 1.00 0.00 C ATOM 1294 O ILE A 88 -13.136 -1.893 -4.482 1.00 0.00 O ATOM 1295 CB ILE A 88 -13.026 1.123 -3.642 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.506 1.182 -3.458 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.652 2.376 -3.029 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.930 2.274 -4.360 1.00 0.00 C ATOM 0 H ILE A 88 -12.539 0.317 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.643 -0.229 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.259 1.070 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.262 1.389 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.061 0.218 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.255 3.261 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.734 2.343 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.415 2.419 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.849 2.319 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.163 2.047 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.367 3.236 -4.092 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.902 -1.825 -2.604 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.136 -3.014 -2.966 1.00 0.00 C ATOM 1312 C LEU A 89 -10.563 -3.709 -1.734 1.00 0.00 C ATOM 1313 O LEU A 89 -9.865 -3.092 -0.929 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.992 -2.638 -3.906 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.265 -3.910 -4.355 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.118 -4.654 -5.384 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.920 -3.536 -4.982 1.00 0.00 C ATOM 0 H LEU A 89 -11.646 -1.405 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.818 -3.702 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.379 -2.102 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.297 -1.967 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.097 -4.553 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.599 -5.558 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.075 -4.923 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.289 -4.011 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.403 -4.441 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.087 -2.890 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.310 -3.010 -4.248 1.00 0.00 H new ATOM 1329 N SER A 90 -10.848 -5.003 -1.606 1.00 0.00 N ATOM 1330 CA SER A 90 -10.342 -5.785 -0.484 1.00 0.00 C ATOM 1331 C SER A 90 -9.725 -7.086 -0.994 1.00 0.00 C ATOM 1332 O SER A 90 -10.394 -7.878 -1.659 1.00 0.00 O ATOM 1333 CB SER A 90 -11.478 -6.103 0.489 1.00 0.00 C ATOM 1334 OG SER A 90 -10.951 -6.760 1.635 1.00 0.00 O ATOM 0 H SER A 90 -11.424 -5.529 -2.263 1.00 0.00 H new ATOM 0 HA SER A 90 -9.580 -5.204 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.986 -5.185 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.221 -6.736 0.003 1.00 0.00 H new ATOM 0 HG SER A 90 -10.417 -6.127 2.158 1.00 0.00 H new ATOM 1340 N THR A 91 -8.451 -7.305 -0.685 1.00 0.00 N ATOM 1341 CA THR A 91 -7.772 -8.517 -1.127 1.00 0.00 C ATOM 1342 C THR A 91 -6.626 -8.861 -0.189 1.00 0.00 C ATOM 1343 O THR A 91 -6.060 -7.985 0.455 1.00 0.00 O ATOM 1344 CB THR A 91 -7.227 -8.321 -2.543 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.963 -9.589 -3.127 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.934 -7.505 -2.485 1.00 0.00 C ATOM 0 H THR A 91 -7.874 -6.667 -0.137 1.00 0.00 H new ATOM 0 HA THR A 91 -8.491 -9.336 -1.121 1.00 0.00 H new ATOM 0 HB THR A 91 -7.963 -7.789 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.615 -9.465 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.546 -7.366 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.137 -6.532 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.196 -8.035 -1.883 1.00 0.00 H new ATOM 1354 N SER A 92 -6.277 -10.138 -0.124 1.00 0.00 N ATOM 1355 CA SER A 92 -5.183 -10.568 0.735 1.00 0.00 C ATOM 1356 C SER A 92 -4.020 -11.069 -0.110 1.00 0.00 C ATOM 1357 O SER A 92 -4.207 -11.504 -1.245 1.00 0.00 O ATOM 1358 CB SER A 92 -5.655 -11.678 1.676 1.00 0.00 C ATOM 1359 OG SER A 92 -5.927 -12.851 0.921 1.00 0.00 O ATOM 0 H SER A 92 -6.729 -10.887 -0.649 1.00 0.00 H new ATOM 0 HA SER A 92 -4.851 -9.717 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.891 -11.884 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.550 -11.361 2.211 1.00 0.00 H new ATOM 0 HG SER A 92 -6.513 -13.444 1.437 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.818 -11.002 0.447 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.636 -11.451 -0.276 1.00 0.00 C ATOM 1367 C GLN A 93 -0.654 -12.151 0.648 1.00 0.00 C ATOM 1368 O GLN A 93 -0.648 -11.931 1.859 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.938 -10.264 -0.940 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.708 -9.838 -2.188 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.946 -8.723 -2.894 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.522 -7.691 -3.237 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.332 -8.872 -3.121 1.00 0.00 N ATOM 0 H GLN A 93 -2.637 -10.646 1.385 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.967 -12.159 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.874 -9.431 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.083 -10.535 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.836 -10.688 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.706 -9.495 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.804 -9.729 -2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.857 -8.131 -3.585 1.00 0.00 H new ATOM 1382 N THR A 94 0.185 -12.986 0.053 1.00 0.00 N ATOM 1383 CA THR A 94 1.191 -13.715 0.806 1.00 0.00 C ATOM 1384 C THR A 94 2.579 -13.305 0.327 1.00 0.00 C ATOM 1385 O THR A 94 2.998 -13.672 -0.770 1.00 0.00 O ATOM 1386 CB THR A 94 0.995 -15.218 0.609 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.356 -15.473 0.249 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.322 -15.953 1.907 1.00 0.00 C ATOM 0 H THR A 94 0.188 -13.175 -0.949 1.00 0.00 H new ATOM 0 HA THR A 94 1.092 -13.481 1.866 1.00 0.00 H new ATOM 0 HB THR A 94 1.658 -15.570 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.484 -16.436 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.181 -17.024 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.357 -15.757 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.661 -15.603 2.700 1.00 0.00 H new ATOM 1396 N THR A 95 3.282 -12.536 1.148 1.00 0.00 N ATOM 1397 CA THR A 95 4.616 -12.076 0.785 1.00 0.00 C ATOM 1398 C THR A 95 5.472 -13.237 0.289 1.00 0.00 C ATOM 1399 O THR A 95 6.309 -13.696 1.050 1.00 0.00 O ATOM 1400 CB THR A 95 5.289 -11.422 1.990 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.372 -12.362 3.052 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.471 -10.212 2.440 1.00 0.00 C ATOM 1403 OXT THR A 95 5.280 -13.650 -0.842 1.00 0.00 O ATOM 0 H THR A 95 2.955 -12.220 2.061 1.00 0.00 H new ATOM 0 HA THR A 95 4.519 -11.345 -0.018 1.00 0.00 H new ATOM 0 HB THR A 95 6.292 -11.096 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.554 -11.891 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.953 -9.747 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.409 -9.491 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.467 -10.534 2.717 1.00 0.00 H new