USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= 0.593 K(o=1.6,f=-2.2!) USER MOD Set 1.2: A 90 SER OG : rot 83:sc= 1.04 USER MOD Set 2.1: A 21 SER OG : rot 111:sc= 0.182 USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -0.232 F(o=-3.3!,f=-0.05) USER MOD Set 3.1: A 40 TYR OH : rot 141:sc= 0.866 USER MOD Set 3.2: A 50 GLN : amide:sc= -2.65! C(o=-1.8!,f=-7.2!) USER MOD Single : A 20 SER OG : rot -27:sc= -0.312 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 -122:sc= -0.861 USER MOD Single : A 43 SER OG : rot 130:sc= -1.45! USER MOD Single : A 51 TYR OH : rot 63:sc= 0.227 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00551 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 77 TYR OH : rot -148:sc= 0.0207 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.161 F(o=-2!,f=-0.16) USER MOD Single : A 80 SER OG : rot -13:sc= -4.25! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.194 F(o=-5!,f=-0.19) 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 -150:sc= -0.986 USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 13:sc= -0.099! USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.995 -7.752 -0.082 1.00 0.00 N ATOM 264 CA SER A 20 8.724 -8.448 -0.203 1.00 0.00 C ATOM 265 C SER A 20 7.604 -7.426 -0.304 1.00 0.00 C ATOM 266 O SER A 20 6.486 -7.654 0.156 1.00 0.00 O ATOM 267 CB SER A 20 8.494 -9.358 1.003 1.00 0.00 C ATOM 268 OG SER A 20 8.889 -8.679 2.187 1.00 0.00 O ATOM 0 HA SER A 20 8.739 -9.067 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.443 -9.639 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.065 -10.280 0.891 1.00 0.00 H new ATOM 0 HG SER A 20 9.580 -8.019 1.970 1.00 0.00 H new ATOM 274 N SER A 21 7.931 -6.279 -0.898 1.00 0.00 N ATOM 275 CA SER A 21 6.965 -5.199 -1.044 1.00 0.00 C ATOM 276 C SER A 21 5.789 -5.620 -1.914 1.00 0.00 C ATOM 277 O SER A 21 5.953 -6.302 -2.928 1.00 0.00 O ATOM 278 CB SER A 21 7.641 -3.980 -1.665 1.00 0.00 C ATOM 279 OG SER A 21 7.950 -4.255 -3.026 1.00 0.00 O ATOM 0 H SER A 21 8.854 -6.077 -1.283 1.00 0.00 H new ATOM 0 HA SER A 21 6.588 -4.951 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.985 -3.112 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.550 -3.735 -1.116 1.00 0.00 H new ATOM 0 HG SER A 21 7.380 -3.709 -3.607 1.00 0.00 H new ATOM 285 N PHE A 22 4.601 -5.190 -1.505 1.00 0.00 N ATOM 286 CA PHE A 22 3.373 -5.493 -2.231 1.00 0.00 C ATOM 287 C PHE A 22 3.004 -4.367 -3.184 1.00 0.00 C ATOM 288 O PHE A 22 3.348 -3.212 -2.959 1.00 0.00 O ATOM 289 CB PHE A 22 2.206 -5.631 -1.251 1.00 0.00 C ATOM 290 CG PHE A 22 2.158 -6.985 -0.603 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.270 -7.832 -0.608 1.00 0.00 C ATOM 292 CD2 PHE A 22 0.972 -7.388 0.017 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.188 -9.085 0.006 1.00 0.00 C ATOM 294 CE2 PHE A 22 0.892 -8.635 0.631 1.00 0.00 C ATOM 295 CZ PHE A 22 1.996 -9.486 0.627 1.00 0.00 C ATOM 0 H PHE A 22 4.462 -4.625 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 22 3.549 -6.417 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.290 -4.865 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.269 -5.450 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.188 -7.520 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.115 -6.730 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.043 -9.745 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.025 -8.943 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.934 -10.454 1.102 1.00 0.00 H new ATOM 305 N VAL A 23 2.251 -4.710 -4.216 1.00 0.00 N ATOM 306 CA VAL A 23 1.776 -3.712 -5.162 1.00 0.00 C ATOM 307 C VAL A 23 0.288 -3.924 -5.409 1.00 0.00 C ATOM 308 O VAL A 23 -0.103 -4.841 -6.132 1.00 0.00 O ATOM 309 CB VAL A 23 2.547 -3.788 -6.481 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.867 -2.889 -7.519 1.00 0.00 C ATOM 311 CG2 VAL A 23 3.977 -3.298 -6.251 1.00 0.00 C ATOM 0 H VAL A 23 1.957 -5.665 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 23 1.942 -2.721 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 23 2.560 -4.817 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.415 -2.941 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.842 -3.225 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.860 -1.860 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.534 -3.349 -7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.956 -2.267 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.462 -3.928 -5.505 1.00 0.00 H new ATOM 321 N VAL A 24 -0.538 -3.077 -4.802 1.00 0.00 N ATOM 322 CA VAL A 24 -1.981 -3.197 -4.961 1.00 0.00 C ATOM 323 C VAL A 24 -2.526 -2.034 -5.771 1.00 0.00 C ATOM 324 O VAL A 24 -2.167 -0.881 -5.542 1.00 0.00 O ATOM 325 CB VAL A 24 -2.667 -3.228 -3.590 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.175 -3.392 -3.777 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.136 -4.407 -2.774 1.00 0.00 C ATOM 0 H VAL A 24 -0.236 -2.309 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.188 -4.128 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.458 -2.296 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.662 -3.414 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.563 -2.555 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.377 -4.324 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.626 -4.426 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.343 -5.338 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.060 -4.299 -2.637 1.00 0.00 H new ATOM 337 N SER A 25 -3.402 -2.346 -6.716 1.00 0.00 N ATOM 338 CA SER A 25 -3.997 -1.316 -7.552 1.00 0.00 C ATOM 339 C SER A 25 -5.514 -1.429 -7.529 1.00 0.00 C ATOM 340 O SER A 25 -6.061 -2.516 -7.343 1.00 0.00 O ATOM 341 CB SER A 25 -3.493 -1.448 -8.985 1.00 0.00 C ATOM 342 OG SER A 25 -3.949 -2.682 -9.532 1.00 0.00 O ATOM 0 H SER A 25 -3.713 -3.295 -6.921 1.00 0.00 H new ATOM 0 HA SER A 25 -3.708 -0.341 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.853 -0.614 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.404 -1.408 -9.005 1.00 0.00 H new ATOM 0 HG SER A 25 -3.628 -2.770 -10.454 1.00 0.00 H new ATOM 348 N TRP A 26 -6.189 -0.301 -7.714 1.00 0.00 N ATOM 349 CA TRP A 26 -7.644 -0.294 -7.707 1.00 0.00 C ATOM 350 C TRP A 26 -8.179 0.794 -8.637 1.00 0.00 C ATOM 351 O TRP A 26 -7.443 1.337 -9.460 1.00 0.00 O ATOM 352 CB TRP A 26 -8.140 -0.046 -6.279 1.00 0.00 C ATOM 353 CG TRP A 26 -7.554 1.232 -5.764 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.089 2.464 -5.948 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.333 1.430 -4.993 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.272 3.402 -5.344 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.180 2.813 -4.741 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.355 0.553 -4.492 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.092 3.308 -4.019 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.259 1.049 -3.768 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.129 2.424 -3.531 1.00 0.00 C ATOM 0 H TRP A 26 -5.757 0.610 -7.869 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.006 -1.259 -8.061 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.229 0.008 -6.265 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.854 -0.876 -5.633 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.004 2.678 -6.480 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.454 4.406 -5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.447 -0.509 -4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.996 4.369 -3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.511 0.367 -3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.285 2.799 -2.971 1.00 0.00 H new ATOM 372 N VAL A 27 -9.460 1.112 -8.492 1.00 0.00 N ATOM 373 CA VAL A 27 -10.083 2.144 -9.311 1.00 0.00 C ATOM 374 C VAL A 27 -10.626 3.246 -8.413 1.00 0.00 C ATOM 375 O VAL A 27 -11.270 2.971 -7.401 1.00 0.00 O ATOM 376 CB VAL A 27 -11.216 1.548 -10.150 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.814 2.634 -11.047 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.659 0.421 -11.020 1.00 0.00 C ATOM 0 H VAL A 27 -10.086 0.672 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.335 2.561 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.991 1.155 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.621 2.209 -11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.207 3.441 -10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.041 3.026 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.462 -0.007 -11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.886 0.818 -11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.230 -0.353 -10.383 1.00 0.00 H new ATOM 388 N SER A 28 -10.354 4.493 -8.777 1.00 0.00 N ATOM 389 CA SER A 28 -10.813 5.624 -7.976 1.00 0.00 C ATOM 390 C SER A 28 -12.303 5.515 -7.658 1.00 0.00 C ATOM 391 O SER A 28 -12.857 6.368 -6.964 1.00 0.00 O ATOM 392 CB SER A 28 -10.554 6.933 -8.712 1.00 0.00 C ATOM 393 OG SER A 28 -11.125 6.864 -10.011 1.00 0.00 O ATOM 0 H SER A 28 -9.824 4.747 -9.611 1.00 0.00 H new ATOM 0 HA SER A 28 -10.255 5.609 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.985 7.767 -8.157 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.482 7.117 -8.783 1.00 0.00 H new ATOM 0 HG SER A 28 -10.961 7.706 -10.486 1.00 0.00 H new ATOM 446 N VAL A 33 -13.355 11.478 -4.883 1.00 0.00 N ATOM 447 CA VAL A 33 -12.469 11.179 -3.775 1.00 0.00 C ATOM 448 C VAL A 33 -11.462 12.306 -3.582 1.00 0.00 C ATOM 449 O VAL A 33 -10.932 12.844 -4.553 1.00 0.00 O ATOM 450 CB VAL A 33 -11.739 9.866 -4.069 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.043 9.963 -5.429 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.697 9.594 -2.987 1.00 0.00 C ATOM 0 HA VAL A 33 -13.051 11.082 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.463 9.051 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.523 9.028 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.785 10.148 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.324 10.782 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.183 8.658 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.974 10.409 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.190 9.521 -2.018 1.00 0.00 H new ATOM 462 N SER A 34 -11.202 12.654 -2.326 1.00 0.00 N ATOM 463 CA SER A 34 -10.244 13.713 -2.019 1.00 0.00 C ATOM 464 C SER A 34 -8.888 13.090 -1.731 1.00 0.00 C ATOM 465 O SER A 34 -7.864 13.771 -1.689 1.00 0.00 O ATOM 466 CB SER A 34 -10.714 14.515 -0.805 1.00 0.00 C ATOM 467 OG SER A 34 -11.996 15.064 -1.079 1.00 0.00 O ATOM 0 H SER A 34 -11.636 12.223 -1.510 1.00 0.00 H new ATOM 0 HA SER A 34 -10.166 14.387 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.760 13.873 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.004 15.311 -0.582 1.00 0.00 H new ATOM 0 HG SER A 34 -11.960 16.039 -0.990 1.00 0.00 H new ATOM 473 N GLY A 35 -8.906 11.780 -1.548 1.00 0.00 N ATOM 474 CA GLY A 35 -7.695 11.026 -1.275 1.00 0.00 C ATOM 475 C GLY A 35 -8.036 9.560 -1.044 1.00 0.00 C ATOM 476 O GLY A 35 -9.206 9.178 -1.048 1.00 0.00 O ATOM 0 H GLY A 35 -9.753 11.214 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.002 11.119 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.193 11.434 -0.398 1.00 0.00 H new ATOM 480 N PHE A 36 -7.013 8.747 -0.839 1.00 0.00 N ATOM 481 CA PHE A 36 -7.219 7.328 -0.593 1.00 0.00 C ATOM 482 C PHE A 36 -6.465 6.895 0.648 1.00 0.00 C ATOM 483 O PHE A 36 -5.429 7.464 0.989 1.00 0.00 O ATOM 484 CB PHE A 36 -6.747 6.507 -1.794 1.00 0.00 C ATOM 485 CG PHE A 36 -7.668 6.763 -2.959 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.836 6.005 -3.109 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.362 7.766 -3.883 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.695 6.253 -4.182 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.220 8.011 -4.959 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.387 7.257 -5.107 1.00 0.00 C ATOM 0 H PHE A 36 -6.037 9.042 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.285 7.156 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.724 6.778 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.741 5.446 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.072 5.229 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.462 8.352 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.597 5.670 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.981 8.783 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.052 7.449 -5.936 1.00 0.00 H new ATOM 500 N ARG A 37 -6.980 5.874 1.313 1.00 0.00 N ATOM 501 CA ARG A 37 -6.331 5.362 2.504 1.00 0.00 C ATOM 502 C ARG A 37 -6.178 3.855 2.387 1.00 0.00 C ATOM 503 O ARG A 37 -7.145 3.137 2.138 1.00 0.00 O ATOM 504 CB ARG A 37 -7.143 5.700 3.754 1.00 0.00 C ATOM 505 CG ARG A 37 -6.279 5.441 4.989 1.00 0.00 C ATOM 506 CD ARG A 37 -7.102 5.662 6.254 1.00 0.00 C ATOM 507 NE ARG A 37 -7.935 4.494 6.512 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.426 4.256 7.718 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.217 5.106 8.684 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.120 3.174 7.936 1.00 0.00 N ATOM 0 H ARG A 37 -7.838 5.388 1.050 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.350 5.829 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.460 6.743 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.047 5.093 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.895 4.421 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.416 6.106 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.441 5.843 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.727 6.548 6.142 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.143 3.849 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.676 5.953 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.595 4.924 9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.284 2.512 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.499 2.990 8.865 1.00 0.00 H new ATOM 524 N VAL A 38 -4.953 3.387 2.556 1.00 0.00 N ATOM 525 CA VAL A 38 -4.678 1.962 2.457 1.00 0.00 C ATOM 526 C VAL A 38 -4.399 1.378 3.828 1.00 0.00 C ATOM 527 O VAL A 38 -3.645 1.949 4.612 1.00 0.00 O ATOM 528 CB VAL A 38 -3.470 1.735 1.556 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.279 0.237 1.323 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.697 2.440 0.221 1.00 0.00 C ATOM 0 H VAL A 38 -4.139 3.966 2.761 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.552 1.467 2.034 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.577 2.139 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.415 0.076 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.117 -0.262 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.169 -0.173 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.835 2.280 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.589 2.036 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.829 3.508 0.392 1.00 0.00 H new ATOM 540 N GLU A 39 -5.001 0.235 4.114 1.00 0.00 N ATOM 541 CA GLU A 39 -4.787 -0.404 5.399 1.00 0.00 C ATOM 542 C GLU A 39 -4.336 -1.844 5.210 1.00 0.00 C ATOM 543 O GLU A 39 -4.990 -2.621 4.514 1.00 0.00 O ATOM 544 CB GLU A 39 -6.075 -0.394 6.217 1.00 0.00 C ATOM 545 CG GLU A 39 -5.781 -0.901 7.631 1.00 0.00 C ATOM 546 CD GLU A 39 -7.088 -1.174 8.368 1.00 0.00 C ATOM 547 OE1 GLU A 39 -8.129 -0.835 7.829 1.00 0.00 O ATOM 548 OE2 GLU A 39 -7.031 -1.725 9.453 1.00 0.00 O ATOM 0 H GLU A 39 -5.631 -0.262 3.484 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.013 0.153 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.485 0.615 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.826 -1.024 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.184 -1.811 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.193 -0.163 8.176 1.00 0.00 H new ATOM 555 N TYR A 40 -3.228 -2.204 5.844 1.00 0.00 N ATOM 556 CA TYR A 40 -2.732 -3.564 5.738 1.00 0.00 C ATOM 557 C TYR A 40 -2.281 -4.089 7.091 1.00 0.00 C ATOM 558 O TYR A 40 -1.694 -3.364 7.895 1.00 0.00 O ATOM 559 CB TYR A 40 -1.595 -3.654 4.716 1.00 0.00 C ATOM 560 CG TYR A 40 -0.412 -2.830 5.163 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.446 -1.439 5.033 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.722 -3.457 5.695 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.651 -0.671 5.434 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.822 -2.687 6.095 1.00 0.00 C ATOM 565 CZ TYR A 40 1.786 -1.293 5.965 1.00 0.00 C ATOM 566 OH TYR A 40 2.868 -0.532 6.358 1.00 0.00 O ATOM 0 H TYR A 40 -2.666 -1.584 6.427 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.553 -4.191 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.294 -4.694 4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.943 -3.303 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.321 -0.957 4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.748 -4.532 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.622 0.404 5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.698 -3.169 6.504 1.00 0.00 H new ATOM 0 HH TYR A 40 3.245 -0.901 7.184 1.00 0.00 H new ATOM 576 N GLU A 41 -2.577 -5.358 7.330 1.00 0.00 N ATOM 577 CA GLU A 41 -2.224 -6.000 8.584 1.00 0.00 C ATOM 578 C GLU A 41 -1.939 -7.479 8.355 1.00 0.00 C ATOM 579 O GLU A 41 -2.328 -8.043 7.334 1.00 0.00 O ATOM 580 CB GLU A 41 -3.373 -5.852 9.581 1.00 0.00 C ATOM 581 CG GLU A 41 -4.629 -6.513 9.009 1.00 0.00 C ATOM 582 CD GLU A 41 -5.795 -6.338 9.974 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.540 -6.059 11.133 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.926 -6.480 9.540 1.00 0.00 O ATOM 0 H GLU A 41 -3.062 -5.964 6.668 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.330 -5.522 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.106 -6.314 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.562 -4.797 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.875 -6.071 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.445 -7.573 8.836 1.00 0.00 H new ATOM 591 N LEU A 42 -1.260 -8.102 9.306 1.00 0.00 N ATOM 592 CA LEU A 42 -0.934 -9.516 9.184 1.00 0.00 C ATOM 593 C LEU A 42 -2.150 -10.395 9.453 1.00 0.00 C ATOM 594 O LEU A 42 -2.808 -10.271 10.485 1.00 0.00 O ATOM 595 CB LEU A 42 0.179 -9.887 10.161 1.00 0.00 C ATOM 596 CG LEU A 42 1.512 -9.346 9.648 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.539 -9.385 10.774 1.00 0.00 C ATOM 598 CD2 LEU A 42 2.003 -10.228 8.505 1.00 0.00 C ATOM 0 H LEU A 42 -0.927 -7.658 10.162 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.601 -9.688 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.037 -9.476 11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.233 -10.970 10.272 1.00 0.00 H new ATOM 0 HG LEU A 42 1.381 -8.321 9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.492 -8.999 10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.192 -8.771 11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.669 -10.413 11.113 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.955 -9.847 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.136 -11.249 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.270 -10.220 7.698 1.00 0.00 H new ATOM 610 N SER A 43 -2.427 -11.298 8.519 1.00 0.00 N ATOM 611 CA SER A 43 -3.551 -12.213 8.667 1.00 0.00 C ATOM 612 C SER A 43 -3.199 -13.305 9.667 1.00 0.00 C ATOM 613 O SER A 43 -4.050 -14.102 10.059 1.00 0.00 O ATOM 614 CB SER A 43 -3.877 -12.866 7.324 1.00 0.00 C ATOM 615 OG SER A 43 -2.973 -13.936 7.093 1.00 0.00 O ATOM 0 H SER A 43 -1.893 -11.415 7.658 1.00 0.00 H new ATOM 0 HA SER A 43 -4.414 -11.648 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.903 -13.235 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.803 -12.132 6.522 1.00 0.00 H new ATOM 0 HG SER A 43 -3.475 -14.741 6.847 1.00 0.00 H new ATOM 621 N GLU A 44 -1.927 -13.351 10.048 1.00 0.00 N ATOM 622 CA GLU A 44 -1.458 -14.372 10.972 1.00 0.00 C ATOM 623 C GLU A 44 -1.282 -13.829 12.390 1.00 0.00 C ATOM 624 O GLU A 44 -2.089 -14.114 13.271 1.00 0.00 O ATOM 625 CB GLU A 44 -0.134 -14.929 10.460 1.00 0.00 C ATOM 626 CG GLU A 44 -0.302 -15.296 8.982 1.00 0.00 C ATOM 627 CD GLU A 44 0.934 -16.020 8.470 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.942 -15.987 9.154 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.854 -16.599 7.396 1.00 0.00 O ATOM 0 H GLU A 44 -1.209 -12.698 9.733 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.210 -15.159 11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.659 -14.191 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.157 -15.806 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.180 -15.929 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.472 -14.394 8.394 1.00 0.00 H new ATOM 685 N PRO A 49 -2.897 -2.629 12.687 1.00 0.00 N ATOM 686 CA PRO A 49 -3.080 -2.194 11.275 1.00 0.00 C ATOM 687 C PRO A 49 -2.334 -0.899 10.980 1.00 0.00 C ATOM 688 O PRO A 49 -2.212 -0.030 11.842 1.00 0.00 O ATOM 689 CB PRO A 49 -4.592 -2.005 11.144 1.00 0.00 C ATOM 690 CG PRO A 49 -5.076 -1.740 12.531 1.00 0.00 C ATOM 691 CD PRO A 49 -4.136 -2.495 13.469 1.00 0.00 C ATOM 0 HA PRO A 49 -2.681 -2.918 10.564 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.829 -1.174 10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.065 -2.893 10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.066 -0.672 12.748 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.104 -2.081 12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.968 -1.945 14.395 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.542 -3.468 13.745 1.00 0.00 H new ATOM 699 N GLN A 50 -1.844 -0.779 9.754 1.00 0.00 N ATOM 700 CA GLN A 50 -1.114 0.413 9.342 1.00 0.00 C ATOM 701 C GLN A 50 -1.898 1.144 8.272 1.00 0.00 C ATOM 702 O GLN A 50 -2.591 0.518 7.478 1.00 0.00 O ATOM 703 CB GLN A 50 0.259 0.024 8.793 1.00 0.00 C ATOM 704 CG GLN A 50 1.076 -0.632 9.903 1.00 0.00 C ATOM 705 CD GLN A 50 1.920 -1.771 9.339 1.00 0.00 C ATOM 706 OE1 GLN A 50 2.748 -1.556 8.453 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.753 -2.979 9.808 1.00 0.00 N ATOM 0 H GLN A 50 -1.938 -1.490 9.029 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.981 1.064 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.147 -0.662 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.777 0.906 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.722 0.109 10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.410 -1.013 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.066 -3.151 10.542 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.310 -3.750 9.440 1.00 0.00 H new ATOM 716 N TYR A 51 -1.801 2.464 8.253 1.00 0.00 N ATOM 717 CA TYR A 51 -2.537 3.231 7.262 1.00 0.00 C ATOM 718 C TYR A 51 -1.616 4.095 6.418 1.00 0.00 C ATOM 719 O TYR A 51 -0.718 4.761 6.930 1.00 0.00 O ATOM 720 CB TYR A 51 -3.564 4.124 7.950 1.00 0.00 C ATOM 721 CG TYR A 51 -4.495 3.269 8.773 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.585 2.630 8.168 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.264 3.115 10.142 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.442 1.835 8.938 1.00 0.00 C ATOM 725 CE2 TYR A 51 -5.119 2.321 10.911 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.208 1.683 10.309 1.00 0.00 C ATOM 727 OH TYR A 51 -7.048 0.900 11.069 1.00 0.00 O ATOM 0 H TYR A 51 -1.234 3.016 8.896 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.037 2.519 6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.062 4.852 8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.129 4.687 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.764 2.750 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.424 3.610 10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.282 1.340 8.475 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.939 2.200 11.969 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.009 -0.026 10.750 1.00 0.00 H new ATOM 737 N LEU A 52 -1.878 4.103 5.118 1.00 0.00 N ATOM 738 CA LEU A 52 -1.106 4.915 4.195 1.00 0.00 C ATOM 739 C LEU A 52 -2.060 5.808 3.419 1.00 0.00 C ATOM 740 O LEU A 52 -3.044 5.336 2.850 1.00 0.00 O ATOM 741 CB LEU A 52 -0.304 4.026 3.248 1.00 0.00 C ATOM 742 CG LEU A 52 0.538 3.062 4.081 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.292 2.102 3.162 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.544 3.859 4.916 1.00 0.00 C ATOM 0 H LEU A 52 -2.620 3.556 4.681 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.398 5.533 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.974 3.472 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.337 4.634 2.610 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.117 2.490 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.890 1.417 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.578 1.533 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.946 2.670 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.147 3.173 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.194 4.432 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.009 4.540 5.578 1.00 0.00 H new ATOM 756 N ASP A 53 -1.782 7.100 3.428 1.00 0.00 N ATOM 757 CA ASP A 53 -2.649 8.053 2.747 1.00 0.00 C ATOM 758 C ASP A 53 -2.106 8.439 1.377 1.00 0.00 C ATOM 759 O ASP A 53 -0.929 8.771 1.229 1.00 0.00 O ATOM 760 CB ASP A 53 -2.808 9.311 3.596 1.00 0.00 C ATOM 761 CG ASP A 53 -3.482 8.971 4.922 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.209 7.991 4.963 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.263 9.698 5.878 1.00 0.00 O ATOM 0 H ASP A 53 -0.973 7.513 3.893 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.616 7.569 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.832 9.760 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.401 10.050 3.057 1.00 0.00 H new ATOM 768 N LEU A 54 -2.983 8.393 0.379 1.00 0.00 N ATOM 769 CA LEU A 54 -2.607 8.740 -0.986 1.00 0.00 C ATOM 770 C LEU A 54 -3.581 9.782 -1.544 1.00 0.00 C ATOM 771 O LEU A 54 -4.724 9.871 -1.098 1.00 0.00 O ATOM 772 CB LEU A 54 -2.626 7.482 -1.860 1.00 0.00 C ATOM 773 CG LEU A 54 -2.084 6.289 -1.069 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.429 4.998 -1.801 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.565 6.401 -0.946 1.00 0.00 C ATOM 0 H LEU A 54 -3.959 8.119 0.491 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.601 9.160 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.643 7.276 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.023 7.641 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.532 6.283 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.044 4.147 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.511 4.911 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.979 5.011 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.182 5.550 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.119 6.408 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.309 7.325 -0.427 1.00 0.00 H new ATOM 787 N PRO A 55 -3.147 10.574 -2.495 1.00 0.00 N ATOM 788 CA PRO A 55 -3.997 11.637 -3.107 1.00 0.00 C ATOM 789 C PRO A 55 -5.123 11.056 -3.961 1.00 0.00 C ATOM 790 O PRO A 55 -5.061 9.907 -4.390 1.00 0.00 O ATOM 791 CB PRO A 55 -3.021 12.456 -3.956 1.00 0.00 C ATOM 792 CG PRO A 55 -1.872 11.549 -4.239 1.00 0.00 C ATOM 793 CD PRO A 55 -1.803 10.538 -3.091 1.00 0.00 C ATOM 0 HA PRO A 55 -4.503 12.237 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.492 12.791 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.693 13.349 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.009 11.040 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.943 12.115 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.555 9.540 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.038 10.812 -2.365 1.00 0.00 H new ATOM 801 N SER A 56 -6.151 11.863 -4.193 1.00 0.00 N ATOM 802 CA SER A 56 -7.293 11.424 -4.985 1.00 0.00 C ATOM 803 C SER A 56 -6.870 11.046 -6.399 1.00 0.00 C ATOM 804 O SER A 56 -7.631 10.422 -7.138 1.00 0.00 O ATOM 805 CB SER A 56 -8.345 12.529 -5.055 1.00 0.00 C ATOM 806 OG SER A 56 -7.713 13.760 -5.382 1.00 0.00 O ATOM 0 H SER A 56 -6.218 12.820 -3.846 1.00 0.00 H new ATOM 0 HA SER A 56 -7.715 10.545 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.098 12.283 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.862 12.615 -4.100 1.00 0.00 H new ATOM 0 HG SER A 56 -8.386 14.471 -5.429 1.00 0.00 H new ATOM 812 N THR A 57 -5.663 11.443 -6.778 1.00 0.00 N ATOM 813 CA THR A 57 -5.171 11.152 -8.118 1.00 0.00 C ATOM 814 C THR A 57 -4.430 9.817 -8.160 1.00 0.00 C ATOM 815 O THR A 57 -4.026 9.363 -9.229 1.00 0.00 O ATOM 816 CB THR A 57 -4.228 12.270 -8.576 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.015 12.203 -7.836 1.00 0.00 O ATOM 818 CG2 THR A 57 -4.892 13.627 -8.342 1.00 0.00 C ATOM 0 H THR A 57 -5.014 11.961 -6.186 1.00 0.00 H new ATOM 0 HA THR A 57 -6.030 11.090 -8.786 1.00 0.00 H new ATOM 0 HB THR A 57 -4.013 12.149 -9.638 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.412 12.917 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.221 14.422 -8.668 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.821 13.681 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.109 13.748 -7.281 1.00 0.00 H new ATOM 826 N ALA A 58 -4.248 9.197 -6.997 1.00 0.00 N ATOM 827 CA ALA A 58 -3.544 7.917 -6.928 1.00 0.00 C ATOM 828 C ALA A 58 -4.489 6.743 -7.187 1.00 0.00 C ATOM 829 O ALA A 58 -5.623 6.732 -6.707 1.00 0.00 O ATOM 830 CB ALA A 58 -2.895 7.756 -5.553 1.00 0.00 C ATOM 0 H ALA A 58 -4.573 9.554 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.778 7.914 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.372 6.801 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.185 8.567 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.665 7.786 -4.782 1.00 0.00 H new ATOM 836 N THR A 59 -4.013 5.754 -7.943 1.00 0.00 N ATOM 837 CA THR A 59 -4.827 4.580 -8.249 1.00 0.00 C ATOM 838 C THR A 59 -4.066 3.286 -7.957 1.00 0.00 C ATOM 839 O THR A 59 -4.522 2.200 -8.318 1.00 0.00 O ATOM 840 CB THR A 59 -5.238 4.599 -9.722 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.095 4.865 -10.526 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.292 5.681 -9.950 1.00 0.00 C ATOM 0 H THR A 59 -3.078 5.742 -8.351 1.00 0.00 H new ATOM 0 HA THR A 59 -5.713 4.614 -7.615 1.00 0.00 H new ATOM 0 HB THR A 59 -5.657 3.631 -9.995 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.355 4.876 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.582 5.691 -11.001 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.167 5.472 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.880 6.653 -9.678 1.00 0.00 H new ATOM 850 N SER A 60 -2.909 3.398 -7.308 1.00 0.00 N ATOM 851 CA SER A 60 -2.107 2.217 -6.983 1.00 0.00 C ATOM 852 C SER A 60 -1.010 2.580 -5.989 1.00 0.00 C ATOM 853 O SER A 60 -0.536 3.716 -5.974 1.00 0.00 O ATOM 854 CB SER A 60 -1.483 1.641 -8.251 1.00 0.00 C ATOM 855 OG SER A 60 -0.881 2.689 -8.998 1.00 0.00 O ATOM 0 H SER A 60 -2.508 4.283 -6.999 1.00 0.00 H new ATOM 0 HA SER A 60 -2.759 1.468 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.738 0.888 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.245 1.143 -8.851 1.00 0.00 H new ATOM 0 HG SER A 60 -0.478 2.321 -9.812 1.00 0.00 H new ATOM 861 N VAL A 61 -0.609 1.627 -5.151 1.00 0.00 N ATOM 862 CA VAL A 61 0.427 1.912 -4.166 1.00 0.00 C ATOM 863 C VAL A 61 1.243 0.674 -3.829 1.00 0.00 C ATOM 864 O VAL A 61 0.731 -0.445 -3.811 1.00 0.00 O ATOM 865 CB VAL A 61 -0.217 2.452 -2.893 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.981 1.328 -2.195 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.866 2.993 -1.955 1.00 0.00 C ATOM 0 H VAL A 61 -0.975 0.675 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 61 1.101 2.653 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.905 3.257 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.442 1.712 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.755 0.946 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.292 0.523 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.402 3.378 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.558 2.191 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.410 3.796 -2.452 1.00 0.00 H new ATOM 877 N ASN A 62 2.514 0.897 -3.532 1.00 0.00 N ATOM 878 CA ASN A 62 3.406 -0.184 -3.161 1.00 0.00 C ATOM 879 C ASN A 62 3.615 -0.172 -1.648 1.00 0.00 C ATOM 880 O ASN A 62 3.963 0.858 -1.076 1.00 0.00 O ATOM 881 CB ASN A 62 4.752 -0.016 -3.870 1.00 0.00 C ATOM 882 CG ASN A 62 5.783 -0.971 -3.278 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.809 -2.216 -3.667 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.587 -0.572 -2.436 1.00 0.00 N flip ATOM 0 H ASN A 62 2.949 1.820 -3.542 1.00 0.00 H new ATOM 0 HA ASN A 62 2.964 -1.135 -3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.636 -0.210 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.098 1.013 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.566 0.401 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.274 -1.215 -2.042 1.00 0.00 H new ATOM 891 N ILE A 63 3.394 -1.317 -1.008 1.00 0.00 N ATOM 892 CA ILE A 63 3.564 -1.424 0.439 1.00 0.00 C ATOM 893 C ILE A 63 4.879 -2.128 0.768 1.00 0.00 C ATOM 894 O ILE A 63 4.976 -3.352 0.667 1.00 0.00 O ATOM 895 CB ILE A 63 2.412 -2.215 1.048 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.088 -1.773 0.413 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.378 -1.977 2.557 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.079 -2.269 1.268 1.00 0.00 C ATOM 0 H ILE A 63 3.098 -2.180 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 63 3.576 -0.417 0.856 1.00 0.00 H new ATOM 0 HB ILE A 63 2.555 -3.278 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.057 -0.687 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.007 -2.171 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.555 -2.541 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.319 -2.305 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.235 -0.915 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.020 -1.955 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.050 -3.357 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.000 -1.849 2.271 1.00 0.00 H new ATOM 910 N PRO A 64 5.887 -1.388 1.147 1.00 0.00 N ATOM 911 CA PRO A 64 7.217 -1.953 1.484 1.00 0.00 C ATOM 912 C PRO A 64 7.333 -2.396 2.941 1.00 0.00 C ATOM 913 O PRO A 64 6.371 -2.349 3.706 1.00 0.00 O ATOM 914 CB PRO A 64 8.159 -0.787 1.205 1.00 0.00 C ATOM 915 CG PRO A 64 7.354 0.448 1.463 1.00 0.00 C ATOM 916 CD PRO A 64 5.879 0.073 1.296 1.00 0.00 C ATOM 0 HA PRO A 64 7.431 -2.855 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.035 -0.827 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.521 -0.812 0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.543 0.827 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.631 1.239 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.291 0.381 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.442 0.559 0.424 1.00 0.00 H new ATOM 924 N ASP A 65 8.538 -2.813 3.302 1.00 0.00 N ATOM 925 CA ASP A 65 8.835 -3.262 4.659 1.00 0.00 C ATOM 926 C ASP A 65 7.939 -4.422 5.075 1.00 0.00 C ATOM 927 O ASP A 65 7.503 -4.501 6.222 1.00 0.00 O ATOM 928 CB ASP A 65 8.656 -2.095 5.633 1.00 0.00 C ATOM 929 CG ASP A 65 9.662 -0.997 5.309 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.755 -1.331 4.881 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.325 0.163 5.487 1.00 0.00 O ATOM 0 H ASP A 65 9.336 -2.851 2.667 1.00 0.00 H new ATOM 0 HA ASP A 65 9.867 -3.613 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.641 -1.704 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.796 -2.439 6.658 1.00 0.00 H new ATOM 936 N LEU A 66 7.683 -5.326 4.140 1.00 0.00 N ATOM 937 CA LEU A 66 6.853 -6.488 4.425 1.00 0.00 C ATOM 938 C LEU A 66 7.715 -7.660 4.900 1.00 0.00 C ATOM 939 O LEU A 66 8.890 -7.754 4.551 1.00 0.00 O ATOM 940 CB LEU A 66 6.064 -6.890 3.178 1.00 0.00 C ATOM 941 CG LEU A 66 5.218 -5.711 2.691 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.229 -6.200 1.633 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.440 -5.112 3.862 1.00 0.00 C ATOM 0 H LEU A 66 8.035 -5.278 3.184 1.00 0.00 H new ATOM 0 HA LEU A 66 6.153 -6.227 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.748 -7.207 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.421 -7.741 3.403 1.00 0.00 H new ATOM 0 HG LEU A 66 5.874 -4.952 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.625 -5.362 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.777 -6.627 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.579 -6.960 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.840 -4.273 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.786 -5.871 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.139 -4.764 4.623 1.00 0.00 H new ATOM 955 N LEU A 67 7.125 -8.546 5.704 1.00 0.00 N ATOM 956 CA LEU A 67 7.850 -9.701 6.222 1.00 0.00 C ATOM 957 C LEU A 67 7.615 -10.939 5.355 1.00 0.00 C ATOM 958 O LEU A 67 6.534 -11.523 5.382 1.00 0.00 O ATOM 959 CB LEU A 67 7.387 -10.006 7.646 1.00 0.00 C ATOM 960 CG LEU A 67 8.101 -9.076 8.620 1.00 0.00 C ATOM 961 CD1 LEU A 67 7.336 -9.031 9.942 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.510 -9.612 8.865 1.00 0.00 C ATOM 0 H LEU A 67 6.153 -8.485 6.008 1.00 0.00 H new ATOM 0 HA LEU A 67 8.913 -9.459 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.308 -9.875 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.601 -11.045 7.895 1.00 0.00 H new ATOM 0 HG LEU A 67 8.151 -8.070 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.849 -8.365 10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.325 -8.663 9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.287 -10.033 10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.033 -8.956 9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.449 -10.615 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.055 -9.648 7.922 1.00 0.00 H new ATOM 974 N PRO A 68 8.602 -11.360 4.606 1.00 0.00 N ATOM 975 CA PRO A 68 8.485 -12.568 3.738 1.00 0.00 C ATOM 976 C PRO A 68 7.972 -13.775 4.519 1.00 0.00 C ATOM 977 O PRO A 68 8.352 -13.986 5.671 1.00 0.00 O ATOM 978 CB PRO A 68 9.915 -12.817 3.250 1.00 0.00 C ATOM 979 CG PRO A 68 10.626 -11.510 3.384 1.00 0.00 C ATOM 980 CD PRO A 68 9.929 -10.734 4.500 1.00 0.00 C ATOM 0 HA PRO A 68 7.775 -12.417 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.402 -13.590 3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.921 -13.161 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.678 -11.666 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.590 -10.954 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.479 -10.807 5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.850 -9.674 4.258 1.00 0.00 H new ATOM 988 N GLY A 69 7.110 -14.563 3.889 1.00 0.00 N ATOM 989 CA GLY A 69 6.558 -15.743 4.542 1.00 0.00 C ATOM 990 C GLY A 69 5.365 -15.374 5.420 1.00 0.00 C ATOM 991 O GLY A 69 4.927 -16.168 6.251 1.00 0.00 O ATOM 0 H GLY A 69 6.781 -14.409 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.250 -16.469 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.327 -16.220 5.149 1.00 0.00 H new ATOM 995 N ARG A 70 4.842 -14.167 5.222 1.00 0.00 N ATOM 996 CA ARG A 70 3.697 -13.704 5.994 1.00 0.00 C ATOM 997 C ARG A 70 2.570 -13.277 5.066 1.00 0.00 C ATOM 998 O ARG A 70 2.811 -12.704 4.004 1.00 0.00 O ATOM 999 CB ARG A 70 4.103 -12.523 6.875 1.00 0.00 C ATOM 1000 CG ARG A 70 5.104 -12.995 7.923 1.00 0.00 C ATOM 1001 CD ARG A 70 4.342 -13.452 9.166 1.00 0.00 C ATOM 1002 NE ARG A 70 4.249 -12.361 10.127 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.339 -11.848 10.692 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.516 -12.335 10.403 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.232 -10.867 11.544 1.00 0.00 N ATOM 0 H ARG A 70 5.192 -13.497 4.537 1.00 0.00 H new ATOM 0 HA ARG A 70 3.350 -14.524 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.543 -11.734 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.224 -12.098 7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.706 -13.813 7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.791 -12.188 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.343 -13.787 8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.849 -14.304 9.620 1.00 0.00 H new ATOM 0 HE ARG A 70 3.333 -11.984 10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.600 -13.109 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.351 -11.941 10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.312 -10.492 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.068 -10.474 11.977 1.00 0.00 H new ATOM 1019 N LYS A 71 1.339 -13.543 5.479 1.00 0.00 N ATOM 1020 CA LYS A 71 0.188 -13.160 4.683 1.00 0.00 C ATOM 1021 C LYS A 71 -0.393 -11.868 5.236 1.00 0.00 C ATOM 1022 O LYS A 71 -0.542 -11.711 6.449 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.875 -14.262 4.707 1.00 0.00 C ATOM 1024 CG LYS A 71 -1.886 -14.022 3.581 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.039 -15.018 3.711 1.00 0.00 C ATOM 1026 CE LYS A 71 -3.976 -14.874 2.511 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.900 -16.041 2.463 1.00 0.00 N ATOM 0 H LYS A 71 1.115 -14.018 6.353 1.00 0.00 H new ATOM 0 HA LYS A 71 0.503 -13.011 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.405 -15.238 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.384 -14.270 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.266 -13.001 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.401 -14.135 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.651 -16.035 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.586 -14.838 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.546 -13.948 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.398 -14.816 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.538 -15.945 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.348 -16.917 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.460 -16.077 3.339 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.707 -10.944 4.347 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.264 -9.661 4.760 1.00 0.00 C ATOM 1043 C TYR A 72 -2.623 -9.416 4.119 1.00 0.00 C ATOM 1044 O TYR A 72 -2.862 -9.804 2.976 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.350 -8.523 4.324 1.00 0.00 C ATOM 1046 CG TYR A 72 0.973 -8.591 5.042 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.978 -9.449 4.585 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.196 -7.775 6.155 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.210 -9.489 5.246 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.427 -7.814 6.813 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.434 -8.669 6.358 1.00 0.00 C ATOM 1052 OH TYR A 72 4.647 -8.705 7.006 1.00 0.00 O ATOM 0 H TYR A 72 -0.588 -11.053 3.340 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.362 -9.692 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.187 -8.574 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.831 -7.566 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.804 -10.078 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.417 -7.115 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.988 -10.152 4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.601 -7.184 7.673 1.00 0.00 H new ATOM 0 HH TYR A 72 4.636 -8.074 7.756 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.488 -8.713 4.838 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.797 -8.355 4.305 1.00 0.00 C ATOM 1064 C ILE A 73 -4.761 -6.879 3.968 1.00 0.00 C ATOM 1065 O ILE A 73 -4.364 -6.063 4.794 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.897 -8.631 5.328 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.807 -10.088 5.769 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.262 -8.371 4.692 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.819 -10.354 6.883 1.00 0.00 C ATOM 0 H ILE A 73 -3.309 -8.381 5.786 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.016 -8.952 3.420 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.774 -7.976 6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.002 -10.747 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.799 -10.310 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.047 -8.568 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.320 -7.332 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.394 -9.027 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.751 -11.396 7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.603 -9.706 7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.825 -10.150 6.517 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.143 -6.542 2.751 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.109 -5.150 2.321 1.00 0.00 C ATOM 1083 C VAL A 74 -6.501 -4.629 2.002 1.00 0.00 C ATOM 1084 O VAL A 74 -7.303 -5.307 1.359 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.211 -5.017 1.093 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.164 -3.557 0.645 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.796 -5.482 1.449 1.00 0.00 C ATOM 0 H VAL A 74 -5.477 -7.201 2.048 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.709 -4.552 3.140 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.610 -5.631 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.522 -3.466 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.170 -3.221 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.766 -2.942 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.152 -5.389 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.403 -4.865 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.825 -6.524 1.769 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.775 -3.416 2.461 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.068 -2.792 2.230 1.00 0.00 C ATOM 1099 C ASN A 75 -7.883 -1.343 1.805 1.00 0.00 C ATOM 1100 O ASN A 75 -7.221 -0.568 2.497 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.890 -2.852 3.516 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.765 -4.233 4.149 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.451 -5.170 3.740 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.917 -4.417 5.125 1.00 0.00 N ATOM 0 H ASN A 75 -6.119 -2.846 2.995 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.589 -3.325 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.544 -2.090 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.936 -2.635 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.822 -5.339 5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.350 -3.639 5.462 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.467 -0.974 0.670 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.344 0.395 0.188 1.00 0.00 C ATOM 1113 C VAL A 76 -9.638 1.161 0.414 1.00 0.00 C ATOM 1114 O VAL A 76 -10.722 0.685 0.078 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.006 0.408 -1.300 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.598 1.825 -1.712 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.850 -0.557 -1.568 1.00 0.00 C ATOM 0 H VAL A 76 -9.021 -1.592 0.076 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.541 0.876 0.746 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.877 0.097 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.355 1.839 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.422 2.512 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.725 2.134 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.608 -0.548 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.977 -0.247 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.141 -1.564 -1.270 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.509 2.354 0.975 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.657 3.204 1.242 1.00 0.00 C ATOM 1129 C TYR A 77 -10.497 4.517 0.502 1.00 0.00 C ATOM 1130 O TYR A 77 -9.400 5.070 0.445 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.749 3.506 2.735 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.717 2.224 3.524 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.902 1.521 3.765 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.502 1.743 4.022 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.871 0.332 4.504 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.469 0.556 4.762 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.655 -0.150 5.002 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.625 -1.319 5.733 1.00 0.00 O ATOM 0 H TYR A 77 -8.615 2.756 1.255 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.558 2.687 0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.921 4.148 3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.669 4.051 2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.840 1.895 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.589 2.288 3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.785 -0.213 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.531 0.185 5.147 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.913 -1.267 6.405 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.583 5.033 -0.042 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.510 6.304 -0.743 1.00 0.00 C ATOM 1150 C GLN A 78 -12.147 7.379 0.125 1.00 0.00 C ATOM 1151 O GLN A 78 -13.212 7.165 0.707 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.238 6.222 -2.088 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.721 6.556 -1.906 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.512 6.096 -3.128 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.877 5.632 -4.170 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.742 6.164 -3.135 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.508 4.604 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.466 6.549 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.786 6.915 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.132 5.222 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.105 6.069 -1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.846 7.629 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.237 6.527 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.265 5.858 -3.955 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.497 8.529 0.226 1.00 0.00 N ATOM 1166 CA ILE A 79 -12.034 9.601 1.042 1.00 0.00 C ATOM 1167 C ILE A 79 -12.729 10.626 0.176 1.00 0.00 C ATOM 1168 O ILE A 79 -12.128 11.220 -0.720 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.925 10.283 1.837 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -10.164 9.225 2.625 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.548 11.286 2.810 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -9.089 9.890 3.483 1.00 0.00 C ATOM 0 H ILE A 79 -10.614 8.739 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.753 9.165 1.735 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.246 10.803 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.852 8.665 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.706 8.510 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.760 11.777 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.110 12.034 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.218 10.763 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.548 9.128 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.393 10.430 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.558 10.588 4.177 1.00 0.00 H new ATOM 1184 N SER A 80 -13.999 10.831 0.459 1.00 0.00 N ATOM 1185 CA SER A 80 -14.780 11.788 -0.287 1.00 0.00 C ATOM 1186 C SER A 80 -14.540 13.188 0.261 1.00 0.00 C ATOM 1187 O SER A 80 -13.880 13.358 1.287 1.00 0.00 O ATOM 1188 CB SER A 80 -16.260 11.436 -0.206 1.00 0.00 C ATOM 1189 OG SER A 80 -16.766 11.807 1.067 1.00 0.00 O ATOM 0 H SER A 80 -14.509 10.348 1.199 1.00 0.00 H new ATOM 0 HA SER A 80 -14.474 11.760 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.811 11.952 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.400 10.367 -0.367 1.00 0.00 H new ATOM 0 HG SER A 80 -16.020 12.005 1.671 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.065 14.179 -0.436 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.895 15.566 -0.032 1.00 0.00 C ATOM 1197 C GLU A 81 -15.477 15.817 1.358 1.00 0.00 C ATOM 1198 O GLU A 81 -15.120 16.795 2.018 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.558 16.470 -1.061 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.850 16.285 -2.407 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.416 17.254 -3.438 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.274 18.039 -3.073 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.979 17.199 -4.576 1.00 0.00 O ATOM 0 H GLU A 81 -15.614 14.051 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.829 15.789 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.616 16.224 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.499 17.511 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.779 16.453 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.975 15.259 -2.754 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.365 14.936 1.808 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.962 15.095 3.132 1.00 0.00 C ATOM 1212 C ASP A 82 -16.136 14.350 4.182 1.00 0.00 C ATOM 1213 O ASP A 82 -16.433 14.411 5.375 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.389 14.553 3.131 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.361 13.053 2.897 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.300 12.474 3.059 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.396 12.504 2.559 1.00 0.00 O ATOM 0 H ASP A 82 -16.683 14.119 1.288 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.977 16.157 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.874 14.774 4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.975 15.042 2.353 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.090 13.660 3.731 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.218 12.924 4.643 1.00 0.00 C ATOM 1224 C GLY A 83 -14.730 11.511 4.922 1.00 0.00 C ATOM 1225 O GLY A 83 -14.254 10.843 5.839 1.00 0.00 O ATOM 0 H GLY A 83 -14.827 13.595 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.216 12.868 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.135 13.470 5.583 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.693 11.055 4.128 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.241 9.711 4.308 1.00 0.00 C ATOM 1231 C GLU A 84 -15.365 8.671 3.615 1.00 0.00 C ATOM 1232 O GLU A 84 -14.796 8.931 2.554 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.661 9.637 3.741 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.611 10.471 4.604 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.798 9.807 5.963 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.327 8.696 6.127 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.406 10.423 6.821 1.00 0.00 O ATOM 0 H GLU A 84 -16.107 11.587 3.362 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.265 9.498 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.672 10.004 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.997 8.600 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.210 11.476 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.574 10.574 4.104 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.270 7.490 4.216 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.469 6.420 3.635 1.00 0.00 C ATOM 1246 C GLN A 85 -15.356 5.282 3.150 1.00 0.00 C ATOM 1247 O GLN A 85 -16.339 4.923 3.797 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.464 5.891 4.658 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.273 6.844 4.719 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.264 6.367 5.758 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.195 5.726 5.371 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.450 6.591 6.953 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.731 7.251 5.094 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.928 6.829 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.932 5.809 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.133 4.891 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.796 6.904 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.615 7.848 4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.286 7.092 7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.768 6.276 7.643 1.00 0.00 H new ATOM 1261 N SER A 86 -14.993 4.717 2.003 1.00 0.00 N ATOM 1262 CA SER A 86 -15.751 3.615 1.429 1.00 0.00 C ATOM 1263 C SER A 86 -14.795 2.562 0.893 1.00 0.00 C ATOM 1264 O SER A 86 -13.808 2.889 0.235 1.00 0.00 O ATOM 1265 CB SER A 86 -16.639 4.130 0.296 1.00 0.00 C ATOM 1266 OG SER A 86 -17.606 3.142 -0.039 1.00 0.00 O ATOM 0 H SER A 86 -14.182 5.004 1.456 1.00 0.00 H new ATOM 0 HA SER A 86 -16.379 3.172 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.136 5.051 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.031 4.369 -0.576 1.00 0.00 H new ATOM 0 HG SER A 86 -18.175 3.474 -0.764 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.081 1.299 1.178 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.219 0.225 0.713 1.00 0.00 C ATOM 1274 C LEU A 87 -14.363 0.042 -0.791 1.00 0.00 C ATOM 1275 O LEU A 87 -15.449 -0.252 -1.289 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.572 -1.084 1.415 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.543 -2.149 1.041 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.229 -1.866 1.774 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.067 -3.534 1.438 1.00 0.00 C ATOM 0 H LEU A 87 -15.890 0.997 1.720 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.189 0.493 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.586 -0.939 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.571 -1.409 1.124 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.371 -2.126 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.493 -2.625 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.856 -0.883 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.401 -1.888 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.331 -4.292 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.242 -3.562 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.001 -3.734 0.913 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.261 0.222 -1.509 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.282 0.077 -2.957 1.00 0.00 C ATOM 1293 C ILE A 88 -12.535 -1.178 -3.392 1.00 0.00 C ATOM 1294 O ILE A 88 -12.812 -1.731 -4.456 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.637 1.300 -3.615 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.174 1.397 -3.175 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.380 2.572 -3.202 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.499 2.557 -3.904 1.00 0.00 C ATOM 0 H ILE A 88 -12.352 0.466 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.322 -0.007 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.691 1.195 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.117 1.548 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.655 0.464 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.913 3.436 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.421 2.504 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.336 2.684 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.457 2.627 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.544 2.386 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.013 3.487 -3.662 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.580 -1.621 -2.578 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.806 -2.813 -2.924 1.00 0.00 C ATOM 1312 C LEU A 89 -10.201 -3.466 -1.684 1.00 0.00 C ATOM 1313 O LEU A 89 -9.437 -2.836 -0.952 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.676 -2.448 -3.891 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.956 -3.725 -4.340 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.758 -4.410 -5.450 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.561 -3.374 -4.867 1.00 0.00 C ATOM 0 H LEU A 89 -11.326 -1.184 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.489 -3.519 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.079 -1.921 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.972 -1.772 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.865 -4.399 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.242 -5.317 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.749 -4.668 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.855 -3.734 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.053 -4.284 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.653 -2.694 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.984 -2.893 -4.077 1.00 0.00 H new ATOM 1329 N SER A 90 -10.524 -4.736 -1.474 1.00 0.00 N ATOM 1330 CA SER A 90 -9.986 -5.480 -0.343 1.00 0.00 C ATOM 1331 C SER A 90 -9.511 -6.850 -0.815 1.00 0.00 C ATOM 1332 O SER A 90 -10.289 -7.629 -1.364 1.00 0.00 O ATOM 1333 CB SER A 90 -11.057 -5.643 0.735 1.00 0.00 C ATOM 1334 OG SER A 90 -10.496 -6.310 1.859 1.00 0.00 O ATOM 0 H SER A 90 -11.155 -5.271 -2.071 1.00 0.00 H new ATOM 0 HA SER A 90 -9.144 -4.931 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.442 -4.667 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.900 -6.212 0.343 1.00 0.00 H new ATOM 0 HG SER A 90 -10.022 -5.662 2.421 1.00 0.00 H new ATOM 1340 N THR A 91 -8.227 -7.137 -0.612 1.00 0.00 N ATOM 1341 CA THR A 91 -7.672 -8.417 -1.040 1.00 0.00 C ATOM 1342 C THR A 91 -6.512 -8.835 -0.145 1.00 0.00 C ATOM 1343 O THR A 91 -5.941 -8.013 0.568 1.00 0.00 O ATOM 1344 CB THR A 91 -7.195 -8.311 -2.493 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.022 -9.614 -3.034 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.866 -7.558 -2.543 1.00 0.00 C ATOM 0 H THR A 91 -7.561 -6.510 -0.161 1.00 0.00 H new ATOM 0 HA THR A 91 -8.452 -9.174 -0.964 1.00 0.00 H new ATOM 0 HB THR A 91 -7.940 -7.771 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.719 -9.545 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.529 -7.484 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.999 -6.557 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.121 -8.095 -1.956 1.00 0.00 H new ATOM 1354 N SER A 92 -6.163 -10.119 -0.194 1.00 0.00 N ATOM 1355 CA SER A 92 -5.059 -10.631 0.614 1.00 0.00 C ATOM 1356 C SER A 92 -3.989 -11.247 -0.282 1.00 0.00 C ATOM 1357 O SER A 92 -4.284 -11.742 -1.370 1.00 0.00 O ATOM 1358 CB SER A 92 -5.569 -11.695 1.589 1.00 0.00 C ATOM 1359 OG SER A 92 -5.637 -12.946 0.918 1.00 0.00 O ATOM 0 H SER A 92 -6.623 -10.817 -0.778 1.00 0.00 H new ATOM 0 HA SER A 92 -4.629 -9.800 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.904 -11.766 2.450 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.553 -11.417 1.968 1.00 0.00 H new ATOM 0 HG SER A 92 -6.355 -13.488 1.308 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.747 -11.226 0.188 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.643 -11.799 -0.571 1.00 0.00 C ATOM 1367 C GLN A 93 -0.629 -12.440 0.362 1.00 0.00 C ATOM 1368 O GLN A 93 -0.574 -12.133 1.553 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.943 -10.724 -1.400 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.894 -10.153 -2.448 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.097 -9.306 -3.431 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.146 -9.008 -3.152 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.613 -8.903 -4.472 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.481 -10.821 1.085 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.056 -12.557 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.590 -9.926 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.066 -11.147 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.404 -10.960 -2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.664 -9.549 -1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.582 -9.138 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.072 -8.334 -5.122 1.00 0.00 H new ATOM 1382 N THR A 94 0.181 -13.325 -0.197 1.00 0.00 N ATOM 1383 CA THR A 94 1.203 -14.003 0.576 1.00 0.00 C ATOM 1384 C THR A 94 2.577 -13.702 -0.006 1.00 0.00 C ATOM 1385 O THR A 94 2.917 -14.171 -1.092 1.00 0.00 O ATOM 1386 CB THR A 94 0.945 -15.509 0.556 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.430 -15.746 0.277 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.299 -16.103 1.916 1.00 0.00 C ATOM 0 H THR A 94 0.149 -13.589 -1.182 1.00 0.00 H new ATOM 0 HA THR A 94 1.171 -13.648 1.606 1.00 0.00 H new ATOM 0 HB THR A 94 1.559 -15.976 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.599 -16.711 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.115 -17.177 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.351 -15.917 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.684 -15.639 2.687 1.00 0.00 H new ATOM 1396 N THR A 95 3.365 -12.915 0.717 1.00 0.00 N ATOM 1397 CA THR A 95 4.696 -12.559 0.244 1.00 0.00 C ATOM 1398 C THR A 95 5.343 -13.755 -0.444 1.00 0.00 C ATOM 1399 O THR A 95 5.531 -13.687 -1.647 1.00 0.00 O ATOM 1400 CB THR A 95 5.569 -12.101 1.417 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.737 -13.180 2.325 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.898 -10.927 2.136 1.00 0.00 C ATOM 1403 OXT THR A 95 5.637 -14.720 0.239 1.00 0.00 O ATOM 0 H THR A 95 3.110 -12.516 1.621 1.00 0.00 H new ATOM 0 HA THR A 95 4.606 -11.741 -0.471 1.00 0.00 H new ATOM 0 HB THR A 95 6.541 -11.782 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.434 -14.012 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.523 -10.605 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.769 -10.099 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.924 -11.240 2.513 1.00 0.00 H new