USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 Single : A 19 THR OG1 : rot -62:sc= 0.807 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc=-0.00487 (180deg=-0.0826) USER MOD Single : A 25 ASN : amide:sc= -0.752 K(o=-0.75,f=-0.19) USER MOD Single : A 26 ASN : amide:sc= -4.45! K(o=-4.5!,f=-1) USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 29 SER OG : rot -84:sc= 0.874 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0215 (180deg=-0.158) USER MOD Single : A 40 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 156:sc= 0.115 USER MOD Single : A 49 THR OG1 : rot 35:sc= 0.0612 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.161 X(o=0.16,f=-0.012) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.38) USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.686 USER MOD Single : A 78 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.8!) USER MOD Single : A 79 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 87 ASN : amide:sc= -4.31! K(o=-4.3!,f=-0.31) USER MOD Single : A 93 TYR OH : rot 54:sc= 0.138 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.926 12.552 5.876 1.00 0.00 N ATOM 246 CA ARG A 16 3.394 13.157 4.637 1.00 0.00 C ATOM 247 C ARG A 16 2.202 12.374 4.112 1.00 0.00 C ATOM 248 O ARG A 16 2.225 11.154 4.082 1.00 0.00 O ATOM 249 CB ARG A 16 4.496 13.217 3.545 1.00 0.00 C ATOM 250 CG ARG A 16 5.574 14.289 3.792 1.00 0.00 C ATOM 251 CD ARG A 16 5.014 15.717 3.690 1.00 0.00 C ATOM 252 NE ARG A 16 4.427 15.990 2.368 1.00 0.00 N ATOM 253 CZ ARG A 16 4.017 17.191 1.922 1.00 0.00 C ATOM 254 NH1 ARG A 16 4.117 18.287 2.684 1.00 0.00 N ATOM 255 NH2 ARG A 16 3.504 17.287 0.702 1.00 0.00 N ATOM 0 HA ARG A 16 3.068 14.169 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.978 12.242 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.025 13.407 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.009 14.142 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.379 14.165 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.256 15.864 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.812 16.433 3.887 1.00 0.00 H new ATOM 0 HE ARG A 16 4.322 15.198 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.510 18.221 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.800 19.188 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.425 16.456 0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.189 18.191 0.351 1.00 0.00 H new ATOM 269 N GLU A 17 1.151 13.088 3.709 1.00 0.00 N ATOM 270 CA GLU A 17 0.041 12.493 2.973 1.00 0.00 C ATOM 271 C GLU A 17 0.332 12.566 1.469 1.00 0.00 C ATOM 272 O GLU A 17 0.462 13.657 0.908 1.00 0.00 O ATOM 273 CB GLU A 17 -1.293 13.191 3.298 1.00 0.00 C ATOM 274 CG GLU A 17 -2.475 12.643 2.484 1.00 0.00 C ATOM 275 CD GLU A 17 -3.794 13.310 2.836 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.034 14.443 2.378 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.586 12.718 3.577 1.00 0.00 O ATOM 0 H GLU A 17 1.047 14.088 3.883 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.056 11.451 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.507 13.076 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.193 14.260 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.275 12.783 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.560 11.570 2.653 1.00 0.00 H new ATOM 284 N ILE A 18 0.458 11.404 0.836 1.00 0.00 N ATOM 285 CA ILE A 18 0.685 11.285 -0.612 1.00 0.00 C ATOM 286 C ILE A 18 -0.607 10.814 -1.302 1.00 0.00 C ATOM 287 O ILE A 18 -1.645 10.657 -0.648 1.00 0.00 O ATOM 288 CB ILE A 18 1.858 10.273 -0.897 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.489 8.829 -0.415 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.174 10.757 -0.236 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.508 7.770 -0.795 1.00 0.00 C ATOM 0 H ILE A 18 0.406 10.504 1.314 1.00 0.00 H new ATOM 0 HA ILE A 18 0.965 12.260 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 18 2.013 10.234 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.376 8.837 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.521 8.554 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.970 10.043 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.446 11.733 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.032 10.836 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.179 6.799 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.605 7.731 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.473 8.019 -0.353 1.00 0.00 H new ATOM 303 N THR A 19 -0.542 10.610 -2.623 1.00 0.00 N ATOM 304 CA THR A 19 -1.612 9.945 -3.381 1.00 0.00 C ATOM 305 C THR A 19 -1.244 8.460 -3.573 1.00 0.00 C ATOM 306 O THR A 19 -0.079 8.067 -3.359 1.00 0.00 O ATOM 307 CB THR A 19 -1.839 10.616 -4.782 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.725 10.362 -5.656 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.059 12.137 -4.668 1.00 0.00 C ATOM 0 H THR A 19 0.250 10.900 -3.196 1.00 0.00 H new ATOM 0 HA THR A 19 -2.539 10.039 -2.815 1.00 0.00 H new ATOM 0 HB THR A 19 -2.742 10.170 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.086 10.758 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.212 12.558 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.937 12.333 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.184 12.598 -4.209 1.00 0.00 H new ATOM 317 N TRP A 20 -2.242 7.649 -3.981 1.00 0.00 N ATOM 318 CA TRP A 20 -2.018 6.257 -4.394 1.00 0.00 C ATOM 319 C TRP A 20 -0.970 6.194 -5.533 1.00 0.00 C ATOM 320 O TRP A 20 -0.097 5.333 -5.502 1.00 0.00 O ATOM 321 CB TRP A 20 -3.348 5.589 -4.829 1.00 0.00 C ATOM 322 CG TRP A 20 -3.195 4.181 -5.367 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.302 3.784 -6.670 1.00 0.00 C ATOM 324 CD2 TRP A 20 -2.875 2.996 -4.619 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.082 2.441 -6.773 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.821 1.933 -5.534 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.637 2.730 -3.271 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.536 0.630 -5.146 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.356 1.439 -2.888 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.308 0.404 -3.820 1.00 0.00 C ATOM 0 H TRP A 20 -3.218 7.942 -4.032 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.630 5.703 -3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.025 5.567 -3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.818 6.208 -5.593 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.528 4.438 -7.499 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.109 1.903 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.673 3.524 -2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.496 -0.174 -5.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.169 1.224 -1.846 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.086 -0.598 -3.485 1.00 0.00 H new ATOM 341 N LYS A 21 -1.056 7.151 -6.495 1.00 0.00 N ATOM 342 CA LYS A 21 -0.130 7.253 -7.649 1.00 0.00 C ATOM 343 C LYS A 21 1.338 7.288 -7.203 1.00 0.00 C ATOM 344 O LYS A 21 2.151 6.446 -7.660 1.00 0.00 O ATOM 345 CB LYS A 21 -0.447 8.511 -8.507 1.00 0.00 C ATOM 346 CG LYS A 21 0.504 8.702 -9.720 1.00 0.00 C ATOM 347 CD LYS A 21 0.201 9.969 -10.547 1.00 0.00 C ATOM 348 CE LYS A 21 -1.196 9.957 -11.184 1.00 0.00 C ATOM 349 NZ LYS A 21 -1.407 8.770 -12.064 1.00 0.00 N ATOM 0 H LYS A 21 -1.774 7.875 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.280 6.359 -8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.473 8.442 -8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.392 9.395 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.532 8.749 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.432 7.829 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.293 10.845 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.950 10.070 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.951 9.963 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.335 10.868 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.306 8.873 -12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.626 8.701 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.436 7.908 -11.483 1.00 0.00 H new ATOM 363 N ASP A 22 1.656 8.243 -6.282 1.00 0.00 N ATOM 364 CA ASP A 22 3.010 8.388 -5.709 1.00 0.00 C ATOM 365 C ASP A 22 3.472 7.044 -5.173 1.00 0.00 C ATOM 366 O ASP A 22 4.473 6.493 -5.647 1.00 0.00 O ATOM 367 CB ASP A 22 3.049 9.418 -4.541 1.00 0.00 C ATOM 368 CG ASP A 22 2.836 10.870 -4.980 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.752 11.445 -5.601 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.755 11.436 -4.724 1.00 0.00 O ATOM 0 H ASP A 22 0.984 8.922 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 22 3.664 8.746 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.283 9.154 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.011 9.340 -4.034 1.00 0.00 H new ATOM 375 N PHE A 23 2.619 6.476 -4.291 1.00 0.00 N ATOM 376 CA PHE A 23 2.896 5.243 -3.552 1.00 0.00 C ATOM 377 C PHE A 23 3.331 4.106 -4.486 1.00 0.00 C ATOM 378 O PHE A 23 4.315 3.434 -4.202 1.00 0.00 O ATOM 379 CB PHE A 23 1.650 4.817 -2.722 1.00 0.00 C ATOM 380 CG PHE A 23 1.807 3.481 -2.014 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.733 3.328 -0.986 1.00 0.00 C ATOM 382 CD2 PHE A 23 1.054 2.370 -2.396 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.899 2.110 -0.370 1.00 0.00 C ATOM 384 CE2 PHE A 23 1.218 1.157 -1.771 1.00 0.00 C ATOM 385 CZ PHE A 23 2.146 1.027 -0.765 1.00 0.00 C ATOM 0 H PHE A 23 1.706 6.876 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 23 3.724 5.445 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.440 5.587 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.785 4.767 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.326 4.173 -0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.332 2.465 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.622 2.003 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.620 0.309 -2.069 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.285 0.071 -0.282 1.00 0.00 H new ATOM 395 N VAL A 24 2.613 3.934 -5.609 1.00 0.00 N ATOM 396 CA VAL A 24 2.938 2.917 -6.618 1.00 0.00 C ATOM 397 C VAL A 24 4.386 3.067 -7.117 1.00 0.00 C ATOM 398 O VAL A 24 5.223 2.198 -6.863 1.00 0.00 O ATOM 399 CB VAL A 24 1.958 2.998 -7.845 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.305 1.940 -8.918 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.492 2.878 -7.385 1.00 0.00 C ATOM 0 H VAL A 24 1.794 4.496 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 24 2.827 1.946 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 24 2.083 3.977 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.608 2.025 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.321 2.105 -9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.231 0.943 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.167 2.937 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.346 1.922 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.259 3.690 -6.696 1.00 0.00 H new ATOM 411 N ASN A 25 4.669 4.221 -7.755 1.00 0.00 N ATOM 412 CA ASN A 25 5.918 4.412 -8.523 1.00 0.00 C ATOM 413 C ASN A 25 7.176 4.431 -7.624 1.00 0.00 C ATOM 414 O ASN A 25 8.189 3.812 -7.977 1.00 0.00 O ATOM 415 CB ASN A 25 5.873 5.677 -9.437 1.00 0.00 C ATOM 416 CG ASN A 25 5.639 6.994 -8.691 1.00 0.00 C ATOM 417 OD1 ASN A 25 6.551 7.543 -8.084 1.00 0.00 O ATOM 418 ND2 ASN A 25 4.434 7.540 -8.775 1.00 0.00 N ATOM 0 H ASN A 25 4.052 5.033 -7.754 1.00 0.00 H new ATOM 0 HA ASN A 25 5.994 3.539 -9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.813 5.747 -9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.082 5.547 -10.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.249 8.438 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.692 7.062 -9.286 1.00 0.00 H new ATOM 425 N ASN A 26 7.116 5.109 -6.458 1.00 0.00 N ATOM 426 CA ASN A 26 8.312 5.302 -5.596 1.00 0.00 C ATOM 427 C ASN A 26 8.458 4.252 -4.482 1.00 0.00 C ATOM 428 O ASN A 26 9.559 4.083 -3.956 1.00 0.00 O ATOM 429 CB ASN A 26 8.357 6.749 -4.993 1.00 0.00 C ATOM 430 CG ASN A 26 7.059 7.281 -4.366 1.00 0.00 C ATOM 431 OD1 ASN A 26 6.767 8.471 -4.441 1.00 0.00 O ATOM 432 ND2 ASN A 26 6.269 6.438 -3.739 1.00 0.00 N ATOM 0 H ASN A 26 6.263 5.530 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 26 9.166 5.164 -6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.137 6.775 -4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.659 7.437 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.406 6.771 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.519 5.451 -3.682 1.00 0.00 H new ATOM 439 N TYR A 27 7.364 3.566 -4.088 1.00 0.00 N ATOM 440 CA TYR A 27 7.378 2.716 -2.867 1.00 0.00 C ATOM 441 C TYR A 27 7.014 1.255 -3.161 1.00 0.00 C ATOM 442 O TYR A 27 7.864 0.358 -3.007 1.00 0.00 O ATOM 443 CB TYR A 27 6.429 3.292 -1.780 1.00 0.00 C ATOM 444 CG TYR A 27 6.784 4.695 -1.254 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.113 5.123 -1.140 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.788 5.597 -0.869 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.425 6.382 -0.666 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.107 6.857 -0.394 1.00 0.00 C ATOM 449 CZ TYR A 27 7.422 7.244 -0.293 1.00 0.00 C ATOM 450 OH TYR A 27 7.734 8.499 0.192 1.00 0.00 O ATOM 0 H TYR A 27 6.473 3.579 -4.584 1.00 0.00 H new ATOM 0 HA TYR A 27 8.402 2.728 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.418 3.322 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.413 2.602 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.910 4.454 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.751 5.305 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.457 6.689 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.321 7.538 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 27 7.012 9.124 -0.030 1.00 0.00 H new ATOM 460 N LEU A 28 5.740 1.027 -3.550 1.00 0.00 N ATOM 461 CA LEU A 28 5.171 -0.321 -3.732 1.00 0.00 C ATOM 462 C LEU A 28 5.945 -1.123 -4.786 1.00 0.00 C ATOM 463 O LEU A 28 6.339 -2.269 -4.526 1.00 0.00 O ATOM 464 CB LEU A 28 3.670 -0.222 -4.114 1.00 0.00 C ATOM 465 CG LEU A 28 2.890 -1.575 -4.219 1.00 0.00 C ATOM 466 CD1 LEU A 28 2.889 -2.346 -2.879 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.453 -1.333 -4.710 1.00 0.00 C ATOM 0 H LEU A 28 5.078 1.777 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 28 5.261 -0.853 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.170 0.405 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.594 0.292 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 28 3.409 -2.196 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.337 -3.279 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.915 -2.566 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.414 -1.738 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.926 -2.285 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.934 -0.679 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.479 -0.863 -5.693 1.00 0.00 H new ATOM 479 N SER A 29 6.198 -0.498 -5.952 1.00 0.00 N ATOM 480 CA SER A 29 6.937 -1.135 -7.059 1.00 0.00 C ATOM 481 C SER A 29 8.408 -1.448 -6.696 1.00 0.00 C ATOM 482 O SER A 29 9.041 -2.299 -7.323 1.00 0.00 O ATOM 483 CB SER A 29 6.877 -0.229 -8.302 1.00 0.00 C ATOM 484 OG SER A 29 7.495 1.027 -8.051 1.00 0.00 O ATOM 0 H SER A 29 5.898 0.456 -6.152 1.00 0.00 H new ATOM 0 HA SER A 29 6.457 -2.091 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.373 -0.721 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.838 -0.075 -8.593 1.00 0.00 H new ATOM 0 HG SER A 29 6.852 1.627 -7.618 1.00 0.00 H new ATOM 490 N LYS A 30 8.943 -0.767 -5.678 1.00 0.00 N ATOM 491 CA LYS A 30 10.344 -0.941 -5.243 1.00 0.00 C ATOM 492 C LYS A 30 10.423 -1.800 -3.966 1.00 0.00 C ATOM 493 O LYS A 30 11.519 -2.090 -3.487 1.00 0.00 O ATOM 494 CB LYS A 30 10.987 0.450 -5.015 1.00 0.00 C ATOM 495 CG LYS A 30 10.927 1.369 -6.250 1.00 0.00 C ATOM 496 CD LYS A 30 11.670 2.702 -6.046 1.00 0.00 C ATOM 497 CE LYS A 30 11.555 3.612 -7.276 1.00 0.00 C ATOM 498 NZ LYS A 30 12.086 2.966 -8.510 1.00 0.00 N ATOM 0 H LYS A 30 8.424 -0.081 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 30 10.896 -1.466 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.483 0.941 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.029 0.316 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.357 0.847 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.884 1.574 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.263 3.215 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.721 2.504 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.510 3.880 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.098 4.539 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.145 3.670 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.033 2.581 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.451 2.195 -8.799 1.00 0.00 H new ATOM 512 N GLY A 31 9.244 -2.197 -3.437 1.00 0.00 N ATOM 513 CA GLY A 31 9.124 -2.998 -2.212 1.00 0.00 C ATOM 514 C GLY A 31 9.863 -2.448 -0.994 1.00 0.00 C ATOM 515 O GLY A 31 10.351 -3.222 -0.172 1.00 0.00 O ATOM 0 H GLY A 31 8.344 -1.965 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.067 -3.093 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.494 -4.002 -2.417 1.00 0.00 H new ATOM 519 N VAL A 32 9.934 -1.101 -0.874 1.00 0.00 N ATOM 520 CA VAL A 32 10.620 -0.425 0.260 1.00 0.00 C ATOM 521 C VAL A 32 9.708 -0.353 1.505 1.00 0.00 C ATOM 522 O VAL A 32 10.131 0.098 2.578 1.00 0.00 O ATOM 523 CB VAL A 32 11.098 1.024 -0.127 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.002 0.997 -1.371 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.914 1.984 -0.333 1.00 0.00 C ATOM 0 H VAL A 32 9.524 -0.457 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 32 11.497 -1.027 0.497 1.00 0.00 H new ATOM 0 HB VAL A 32 11.683 1.402 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.317 2.012 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.880 0.383 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.451 0.576 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.289 2.972 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.277 1.610 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.335 2.051 0.588 1.00 0.00 H new ATOM 535 N VAL A 33 8.467 -0.825 1.341 1.00 0.00 N ATOM 536 CA VAL A 33 7.417 -0.741 2.361 1.00 0.00 C ATOM 537 C VAL A 33 7.358 -2.069 3.118 1.00 0.00 C ATOM 538 O VAL A 33 7.387 -3.148 2.506 1.00 0.00 O ATOM 539 CB VAL A 33 6.012 -0.433 1.724 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.942 -0.146 2.800 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.110 0.732 0.731 1.00 0.00 C ATOM 0 H VAL A 33 8.160 -1.283 0.483 1.00 0.00 H new ATOM 0 HA VAL A 33 7.659 0.077 3.040 1.00 0.00 H new ATOM 0 HB VAL A 33 5.697 -1.325 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.987 0.062 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.838 -1.014 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.244 0.717 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.127 0.928 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.464 1.623 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.808 0.474 -0.065 1.00 0.00 H new ATOM 551 N ASP A 34 7.256 -1.976 4.440 1.00 0.00 N ATOM 552 CA ASP A 34 7.207 -3.137 5.340 1.00 0.00 C ATOM 553 C ASP A 34 5.759 -3.644 5.481 1.00 0.00 C ATOM 554 O ASP A 34 5.497 -4.835 5.329 1.00 0.00 O ATOM 555 CB ASP A 34 7.783 -2.723 6.723 1.00 0.00 C ATOM 556 CG ASP A 34 7.710 -3.812 7.805 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.146 -4.953 7.557 1.00 0.00 O ATOM 558 OD2 ASP A 34 7.235 -3.523 8.923 1.00 0.00 O ATOM 0 H ASP A 34 7.204 -1.082 4.929 1.00 0.00 H new ATOM 0 HA ASP A 34 7.806 -3.949 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.825 -2.429 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.245 -1.843 7.076 1.00 0.00 H new ATOM 563 N ARG A 35 4.835 -2.703 5.767 1.00 0.00 N ATOM 564 CA ARG A 35 3.416 -3.007 6.071 1.00 0.00 C ATOM 565 C ARG A 35 2.499 -1.805 5.718 1.00 0.00 C ATOM 566 O ARG A 35 2.916 -0.636 5.786 1.00 0.00 O ATOM 567 CB ARG A 35 3.287 -3.404 7.576 1.00 0.00 C ATOM 568 CG ARG A 35 3.881 -2.362 8.549 1.00 0.00 C ATOM 569 CD ARG A 35 4.098 -2.887 9.977 1.00 0.00 C ATOM 570 NE ARG A 35 2.843 -3.112 10.702 1.00 0.00 N ATOM 571 CZ ARG A 35 2.436 -4.274 11.218 1.00 0.00 C ATOM 572 NH1 ARG A 35 3.172 -5.376 11.090 1.00 0.00 N ATOM 573 NH2 ARG A 35 1.292 -4.310 11.888 1.00 0.00 N ATOM 0 H ARG A 35 5.050 -1.706 5.794 1.00 0.00 H new ATOM 0 HA ARG A 35 3.088 -3.845 5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.234 -3.551 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.786 -4.360 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.835 -2.014 8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.218 -1.498 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.658 -3.821 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.709 -2.174 10.531 1.00 0.00 H new ATOM 0 HE ARG A 35 2.226 -2.309 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.061 -5.340 10.592 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.847 -6.256 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.740 -3.460 12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.964 -5.188 12.290 1.00 0.00 H new ATOM 587 N LEU A 36 1.253 -2.126 5.333 1.00 0.00 N ATOM 588 CA LEU A 36 0.205 -1.157 4.983 1.00 0.00 C ATOM 589 C LEU A 36 -0.947 -1.338 5.958 1.00 0.00 C ATOM 590 O LEU A 36 -1.739 -2.271 5.825 1.00 0.00 O ATOM 591 CB LEU A 36 -0.299 -1.379 3.525 1.00 0.00 C ATOM 592 CG LEU A 36 0.671 -0.948 2.397 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.060 -1.235 1.013 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.069 0.534 2.549 1.00 0.00 C ATOM 0 H LEU A 36 0.940 -3.094 5.255 1.00 0.00 H new ATOM 0 HA LEU A 36 0.609 -0.146 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.525 -2.438 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.235 -0.835 3.399 1.00 0.00 H new ATOM 0 HG LEU A 36 1.582 -1.540 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.758 -0.925 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.139 -2.302 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.873 -0.681 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.750 0.812 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.176 1.157 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.562 0.682 3.510 1.00 0.00 H new ATOM 606 N GLU A 37 -1.049 -0.432 6.922 1.00 0.00 N ATOM 607 CA GLU A 37 -1.980 -0.573 8.039 1.00 0.00 C ATOM 608 C GLU A 37 -3.242 0.258 7.780 1.00 0.00 C ATOM 609 O GLU A 37 -3.206 1.483 7.847 1.00 0.00 O ATOM 610 CB GLU A 37 -1.268 -0.156 9.351 1.00 0.00 C ATOM 611 CG GLU A 37 0.059 -0.923 9.584 1.00 0.00 C ATOM 612 CD GLU A 37 0.776 -0.543 10.880 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.476 0.488 10.893 1.00 0.00 O ATOM 614 OE2 GLU A 37 0.683 -1.292 11.882 1.00 0.00 O ATOM 0 H GLU A 37 -0.490 0.421 6.954 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.293 -1.612 8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.064 0.914 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.937 -0.332 10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.149 -1.993 9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.727 -0.737 8.743 1.00 0.00 H new ATOM 621 N VAL A 38 -4.371 -0.414 7.519 1.00 0.00 N ATOM 622 CA VAL A 38 -5.625 0.270 7.185 1.00 0.00 C ATOM 623 C VAL A 38 -6.276 0.667 8.509 1.00 0.00 C ATOM 624 O VAL A 38 -6.860 -0.171 9.198 1.00 0.00 O ATOM 625 CB VAL A 38 -6.588 -0.638 6.336 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.900 0.095 5.979 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.889 -1.155 5.064 1.00 0.00 C ATOM 0 H VAL A 38 -4.441 -1.432 7.533 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.420 1.144 6.567 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.848 -1.497 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.538 -0.566 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.418 0.381 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.671 0.988 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.580 -1.780 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.578 -0.309 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.014 -1.742 5.343 1.00 0.00 H new ATOM 637 N VAL A 39 -6.092 1.926 8.901 1.00 0.00 N ATOM 638 CA VAL A 39 -6.535 2.434 10.201 1.00 0.00 C ATOM 639 C VAL A 39 -7.940 3.039 10.071 1.00 0.00 C ATOM 640 O VAL A 39 -8.155 3.963 9.255 1.00 0.00 O ATOM 641 CB VAL A 39 -5.527 3.502 10.758 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.907 3.967 12.181 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.082 2.958 10.728 1.00 0.00 C ATOM 0 H VAL A 39 -5.629 2.628 8.324 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.568 1.604 10.906 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.584 4.373 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.184 4.705 12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.901 4.413 12.165 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.904 3.111 12.856 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.400 3.714 11.118 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.018 2.060 11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.806 2.715 9.702 1.00 0.00 H new ATOM 653 N ASN A 40 -8.886 2.475 10.857 1.00 0.00 N ATOM 654 CA ASN A 40 -10.297 2.912 10.936 1.00 0.00 C ATOM 655 C ASN A 40 -11.037 2.839 9.588 1.00 0.00 C ATOM 656 O ASN A 40 -12.078 3.482 9.426 1.00 0.00 O ATOM 657 CB ASN A 40 -10.385 4.348 11.543 1.00 0.00 C ATOM 658 CG ASN A 40 -9.860 4.439 12.984 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.993 3.669 13.402 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.379 5.376 13.764 1.00 0.00 N ATOM 0 H ASN A 40 -8.683 1.684 11.468 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.806 2.208 11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.818 5.035 10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.423 4.680 11.522 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.062 5.470 14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.096 6.004 13.399 1.00 0.00 H new ATOM 667 N LYS A 41 -10.482 2.060 8.632 1.00 0.00 N ATOM 668 CA LYS A 41 -10.961 1.975 7.224 1.00 0.00 C ATOM 669 C LYS A 41 -10.903 3.337 6.482 1.00 0.00 C ATOM 670 O LYS A 41 -11.366 3.451 5.346 1.00 0.00 O ATOM 671 CB LYS A 41 -12.392 1.362 7.163 1.00 0.00 C ATOM 672 CG LYS A 41 -12.481 -0.119 7.619 1.00 0.00 C ATOM 673 CD LYS A 41 -13.915 -0.698 7.512 1.00 0.00 C ATOM 674 CE LYS A 41 -13.995 -2.190 7.886 1.00 0.00 C ATOM 675 NZ LYS A 41 -15.388 -2.703 7.787 1.00 0.00 N ATOM 0 H LYS A 41 -9.676 1.462 8.815 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.274 1.311 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.056 1.961 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.761 1.436 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.805 -0.722 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.139 -0.197 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.579 -0.130 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.279 -0.565 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.346 -2.767 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.625 -2.332 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.406 -3.710 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.002 -2.168 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.731 -2.590 6.812 1.00 0.00 H new ATOM 689 N ARG A 42 -10.316 4.348 7.136 1.00 0.00 N ATOM 690 CA ARG A 42 -10.282 5.737 6.665 1.00 0.00 C ATOM 691 C ARG A 42 -9.074 5.957 5.758 1.00 0.00 C ATOM 692 O ARG A 42 -9.196 6.492 4.648 1.00 0.00 O ATOM 693 CB ARG A 42 -10.192 6.673 7.900 1.00 0.00 C ATOM 694 CG ARG A 42 -10.213 8.183 7.583 1.00 0.00 C ATOM 695 CD ARG A 42 -11.554 8.669 7.009 1.00 0.00 C ATOM 696 NE ARG A 42 -11.485 10.094 6.675 1.00 0.00 N ATOM 697 CZ ARG A 42 -12.521 10.926 6.538 1.00 0.00 C ATOM 698 NH1 ARG A 42 -13.774 10.512 6.694 1.00 0.00 N ATOM 699 NH2 ARG A 42 -12.288 12.186 6.227 1.00 0.00 N ATOM 0 H ARG A 42 -9.840 4.218 8.029 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.185 5.955 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.023 6.447 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.275 6.445 8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.993 8.741 8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.419 8.408 6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.805 8.093 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.350 8.498 7.734 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.555 10.489 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.964 9.537 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.546 11.170 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.330 12.510 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.066 12.837 6.118 1.00 0.00 H new ATOM 713 N PHE A 43 -7.909 5.509 6.245 1.00 0.00 N ATOM 714 CA PHE A 43 -6.618 5.766 5.602 1.00 0.00 C ATOM 715 C PHE A 43 -5.698 4.568 5.815 1.00 0.00 C ATOM 716 O PHE A 43 -6.005 3.665 6.600 1.00 0.00 O ATOM 717 CB PHE A 43 -5.959 7.080 6.131 1.00 0.00 C ATOM 718 CG PHE A 43 -5.553 7.082 7.608 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.473 7.411 8.604 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.246 6.768 7.999 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.102 7.429 9.933 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.884 6.785 9.326 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.811 7.115 10.293 1.00 0.00 C ATOM 0 H PHE A 43 -7.838 4.956 7.099 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.785 5.905 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.072 7.285 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.654 7.903 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.489 7.655 8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.513 6.509 7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.825 7.690 10.691 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.872 6.539 9.612 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.523 7.127 11.334 1.00 0.00 H new ATOM 733 N VAL A 44 -4.565 4.580 5.111 1.00 0.00 N ATOM 734 CA VAL A 44 -3.549 3.533 5.186 1.00 0.00 C ATOM 735 C VAL A 44 -2.212 4.145 5.625 1.00 0.00 C ATOM 736 O VAL A 44 -1.692 5.053 4.972 1.00 0.00 O ATOM 737 CB VAL A 44 -3.390 2.790 3.807 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.251 1.751 3.847 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.718 2.122 3.407 1.00 0.00 C ATOM 0 H VAL A 44 -4.325 5.330 4.463 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.867 2.794 5.922 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.126 3.534 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.173 1.259 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.310 2.251 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.464 1.007 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.595 1.612 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.006 1.399 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.494 2.882 3.315 1.00 0.00 H new ATOM 749 N ARG A 45 -1.675 3.601 6.721 1.00 0.00 N ATOM 750 CA ARG A 45 -0.393 3.974 7.305 1.00 0.00 C ATOM 751 C ARG A 45 0.699 3.208 6.546 1.00 0.00 C ATOM 752 O ARG A 45 0.796 1.976 6.659 1.00 0.00 O ATOM 753 CB ARG A 45 -0.415 3.564 8.811 1.00 0.00 C ATOM 754 CG ARG A 45 0.927 3.607 9.593 1.00 0.00 C ATOM 755 CD ARG A 45 1.402 5.011 9.983 1.00 0.00 C ATOM 756 NE ARG A 45 2.044 5.754 8.880 1.00 0.00 N ATOM 757 CZ ARG A 45 2.366 7.057 8.944 1.00 0.00 C ATOM 758 NH1 ARG A 45 2.090 7.775 10.024 1.00 0.00 N ATOM 759 NH2 ARG A 45 2.990 7.646 7.941 1.00 0.00 N ATOM 0 H ARG A 45 -2.144 2.860 7.243 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.201 5.045 7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.123 4.214 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.808 2.550 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.822 3.010 10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.699 3.133 8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.549 5.584 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.106 4.929 10.811 1.00 0.00 H new ATOM 0 HE ARG A 45 2.255 5.249 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.627 7.339 10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.341 8.763 10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.232 7.111 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.230 8.636 8.000 1.00 0.00 H new ATOM 773 N VAL A 46 1.490 3.928 5.746 1.00 0.00 N ATOM 774 CA VAL A 46 2.599 3.328 5.005 1.00 0.00 C ATOM 775 C VAL A 46 3.820 3.313 5.929 1.00 0.00 C ATOM 776 O VAL A 46 4.397 4.369 6.242 1.00 0.00 O ATOM 777 CB VAL A 46 2.915 4.101 3.673 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.003 3.392 2.845 1.00 0.00 C ATOM 779 CG2 VAL A 46 1.637 4.309 2.838 1.00 0.00 C ATOM 0 H VAL A 46 1.381 4.931 5.596 1.00 0.00 H new ATOM 0 HA VAL A 46 2.327 2.316 4.707 1.00 0.00 H new ATOM 0 HB VAL A 46 3.304 5.081 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.192 3.958 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.921 3.328 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.667 2.388 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.884 4.846 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.206 3.340 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.916 4.888 3.415 1.00 0.00 H new ATOM 789 N THR A 47 4.167 2.115 6.398 1.00 0.00 N ATOM 790 CA THR A 47 5.296 1.901 7.295 1.00 0.00 C ATOM 791 C THR A 47 6.407 1.209 6.501 1.00 0.00 C ATOM 792 O THR A 47 6.170 0.196 5.849 1.00 0.00 O ATOM 793 CB THR A 47 4.865 1.040 8.515 1.00 0.00 C ATOM 794 OG1 THR A 47 3.714 1.636 9.144 1.00 0.00 O ATOM 795 CG2 THR A 47 5.995 0.868 9.550 1.00 0.00 C ATOM 0 H THR A 47 3.666 1.259 6.162 1.00 0.00 H new ATOM 0 HA THR A 47 5.658 2.854 7.682 1.00 0.00 H new ATOM 0 HB THR A 47 4.620 0.046 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.214 0.948 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.638 0.258 10.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.847 0.378 9.080 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.299 1.846 9.923 1.00 0.00 H new ATOM 803 N PHE A 48 7.601 1.793 6.561 1.00 0.00 N ATOM 804 CA PHE A 48 8.756 1.400 5.743 1.00 0.00 C ATOM 805 C PHE A 48 9.740 0.532 6.523 1.00 0.00 C ATOM 806 O PHE A 48 9.649 0.405 7.749 1.00 0.00 O ATOM 807 CB PHE A 48 9.472 2.657 5.227 1.00 0.00 C ATOM 808 CG PHE A 48 8.615 3.515 4.318 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.487 3.197 2.972 1.00 0.00 C ATOM 810 CD2 PHE A 48 7.938 4.631 4.805 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.714 3.968 2.146 1.00 0.00 C ATOM 812 CE2 PHE A 48 7.164 5.398 3.970 1.00 0.00 C ATOM 813 CZ PHE A 48 7.055 5.069 2.644 1.00 0.00 C ATOM 0 H PHE A 48 7.802 2.569 7.191 1.00 0.00 H new ATOM 0 HA PHE A 48 8.385 0.808 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.796 3.256 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.371 2.357 4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.001 2.335 2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.023 4.895 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.621 3.712 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.641 6.260 4.358 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.450 5.676 1.987 1.00 0.00 H new ATOM 823 N THR A 49 10.691 -0.034 5.778 1.00 0.00 N ATOM 824 CA THR A 49 11.742 -0.895 6.309 1.00 0.00 C ATOM 825 C THR A 49 12.958 -0.041 6.757 1.00 0.00 C ATOM 826 O THR A 49 13.404 0.832 5.994 1.00 0.00 O ATOM 827 CB THR A 49 12.173 -1.935 5.229 1.00 0.00 C ATOM 828 OG1 THR A 49 12.516 -1.254 4.007 1.00 0.00 O ATOM 829 CG2 THR A 49 11.058 -2.950 4.952 1.00 0.00 C ATOM 0 H THR A 49 10.751 0.098 4.768 1.00 0.00 H new ATOM 0 HA THR A 49 11.358 -1.431 7.177 1.00 0.00 H new ATOM 0 HB THR A 49 13.039 -2.475 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.934 -0.393 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.392 -3.660 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.817 -3.486 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.171 -2.427 4.594 1.00 0.00 H new ATOM 960 N TYR A 59 7.947 8.701 6.505 1.00 0.00 N ATOM 961 CA TYR A 59 6.772 7.851 6.743 1.00 0.00 C ATOM 962 C TYR A 59 5.534 8.562 6.222 1.00 0.00 C ATOM 963 O TYR A 59 5.143 9.620 6.725 1.00 0.00 O ATOM 964 CB TYR A 59 6.611 7.482 8.238 1.00 0.00 C ATOM 965 CG TYR A 59 7.619 6.429 8.694 1.00 0.00 C ATOM 966 CD1 TYR A 59 7.428 5.080 8.393 1.00 0.00 C ATOM 967 CD2 TYR A 59 8.775 6.776 9.385 1.00 0.00 C ATOM 968 CE1 TYR A 59 8.349 4.128 8.771 1.00 0.00 C ATOM 969 CE2 TYR A 59 9.699 5.823 9.754 1.00 0.00 C ATOM 970 CZ TYR A 59 9.480 4.505 9.445 1.00 0.00 C ATOM 971 OH TYR A 59 10.410 3.562 9.801 1.00 0.00 O ATOM 0 HA TYR A 59 6.910 6.912 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.729 8.380 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.601 7.111 8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.542 4.777 7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.952 7.811 9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.180 3.087 8.537 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.593 6.113 10.285 1.00 0.00 H new ATOM 0 HH TYR A 59 11.152 3.996 10.271 1.00 0.00 H new ATOM 981 N VAL A 60 4.928 7.973 5.201 1.00 0.00 N ATOM 982 CA VAL A 60 3.791 8.569 4.500 1.00 0.00 C ATOM 983 C VAL A 60 2.513 7.776 4.773 1.00 0.00 C ATOM 984 O VAL A 60 2.547 6.711 5.394 1.00 0.00 O ATOM 985 CB VAL A 60 4.056 8.659 2.961 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.319 9.498 2.655 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.140 7.262 2.337 1.00 0.00 C ATOM 0 H VAL A 60 5.209 7.065 4.831 1.00 0.00 H new ATOM 0 HA VAL A 60 3.662 9.582 4.880 1.00 0.00 H new ATOM 0 HB VAL A 60 3.210 9.173 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.475 9.541 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.188 10.508 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.186 9.037 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.325 7.352 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.954 6.705 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.201 6.734 2.500 1.00 0.00 H new ATOM 997 N TRP A 61 1.395 8.326 4.308 1.00 0.00 N ATOM 998 CA TRP A 61 0.070 7.720 4.435 1.00 0.00 C ATOM 999 C TRP A 61 -0.867 8.350 3.398 1.00 0.00 C ATOM 1000 O TRP A 61 -0.546 9.388 2.813 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.478 7.879 5.888 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.552 9.309 6.383 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.474 10.070 6.870 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.723 10.131 6.453 1.00 0.00 C ATOM 1005 NE1 TRP A 61 0.017 11.310 7.218 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.329 11.374 6.973 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.066 9.934 6.113 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.228 12.413 7.171 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -3.958 10.966 6.315 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.534 12.197 6.832 1.00 0.00 C ATOM 0 H TRP A 61 1.383 9.223 3.823 1.00 0.00 H new ATOM 0 HA TRP A 61 0.135 6.649 4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.475 7.440 5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.156 7.307 6.566 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.498 9.739 6.966 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.586 12.066 7.599 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.397 8.992 5.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.906 13.360 7.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.000 10.823 6.071 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.254 12.991 6.965 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.018 7.712 3.156 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.015 8.211 2.186 1.00 0.00 C ATOM 1023 C PHE A 62 -4.421 7.743 2.578 1.00 0.00 C ATOM 1024 O PHE A 62 -4.594 6.617 3.052 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.642 7.783 0.725 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.391 6.289 0.517 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -3.439 5.416 0.227 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -1.103 5.755 0.617 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -3.209 4.070 0.050 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -0.879 4.404 0.437 1.00 0.00 C ATOM 1031 CZ PHE A 62 -1.930 3.564 0.155 1.00 0.00 C ATOM 0 H PHE A 62 -2.288 6.844 3.619 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.009 9.301 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.446 8.094 0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.748 8.329 0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.444 5.801 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.272 6.408 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.033 3.408 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.122 4.007 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.754 2.508 0.016 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.429 8.612 2.352 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.828 8.326 2.732 1.00 0.00 C ATOM 1043 C ASN A 63 -7.539 7.605 1.581 1.00 0.00 C ATOM 1044 O ASN A 63 -7.565 8.094 0.447 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.574 9.616 3.170 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.708 10.677 2.078 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -8.711 10.738 1.362 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -6.701 11.503 1.933 1.00 0.00 N ATOM 0 H ASN A 63 -5.299 9.520 1.907 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.831 7.665 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.571 9.343 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.049 10.053 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.732 12.223 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.886 11.426 2.542 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.089 6.420 1.879 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.650 5.517 0.857 1.00 0.00 C ATOM 1057 C ILE A 64 -10.163 5.703 0.703 1.00 0.00 C ATOM 1058 O ILE A 64 -10.662 5.724 -0.426 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.313 4.012 1.173 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.808 3.598 2.596 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.800 3.769 1.022 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.591 2.140 2.948 1.00 0.00 C ATOM 0 H ILE A 64 -8.159 6.059 2.830 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.181 5.782 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.843 3.386 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.298 4.215 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.872 3.821 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.575 2.725 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.495 3.998 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.257 4.411 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.966 1.949 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.124 1.510 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.526 1.911 2.908 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.878 5.872 1.835 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.342 5.890 1.827 1.00 0.00 C ATOM 1076 C GLY A 65 -12.936 4.525 1.481 1.00 0.00 C ATOM 1077 O GLY A 65 -13.445 3.816 2.355 1.00 0.00 O ATOM 0 H GLY A 65 -10.461 5.997 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.705 6.204 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.690 6.629 1.105 1.00 0.00 H new ATOM 1081 N SER A 66 -12.875 4.163 0.191 1.00 0.00 N ATOM 1082 CA SER A 66 -13.273 2.840 -0.282 1.00 0.00 C ATOM 1083 C SER A 66 -12.117 1.849 -0.064 1.00 0.00 C ATOM 1084 O SER A 66 -11.137 1.844 -0.825 1.00 0.00 O ATOM 1085 CB SER A 66 -13.666 2.905 -1.768 1.00 0.00 C ATOM 1086 OG SER A 66 -14.705 3.846 -1.974 1.00 0.00 O ATOM 0 H SER A 66 -12.548 4.783 -0.549 1.00 0.00 H new ATOM 0 HA SER A 66 -14.140 2.497 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.797 3.179 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.989 1.920 -2.107 1.00 0.00 H new ATOM 0 HG SER A 66 -14.938 3.873 -2.925 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.229 1.080 1.031 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.336 -0.056 1.349 1.00 0.00 C ATOM 1094 C VAL A 67 -11.293 -1.063 0.185 1.00 0.00 C ATOM 1095 O VAL A 67 -10.229 -1.587 -0.150 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.802 -0.792 2.662 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.869 -1.971 3.037 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.930 0.207 3.825 1.00 0.00 C ATOM 0 H VAL A 67 -12.953 1.229 1.734 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.337 0.349 1.507 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.784 -1.221 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.232 -2.446 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.860 -2.700 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.858 -1.597 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.253 -0.320 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.964 0.678 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.664 0.971 3.569 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.476 -1.289 -0.431 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.637 -2.155 -1.610 1.00 0.00 C ATOM 1110 C ASP A 68 -11.690 -1.724 -2.732 1.00 0.00 C ATOM 1111 O ASP A 68 -10.873 -2.521 -3.165 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.111 -2.129 -2.105 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.320 -2.862 -3.452 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.382 -4.104 -3.463 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.428 -2.194 -4.500 1.00 0.00 O ATOM 0 H ASP A 68 -13.351 -0.869 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.384 -3.175 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.749 -2.586 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.433 -1.093 -2.210 1.00 0.00 H new ATOM 1120 N THR A 69 -11.783 -0.440 -3.138 1.00 0.00 N ATOM 1121 CA THR A 69 -10.981 0.119 -4.235 1.00 0.00 C ATOM 1122 C THR A 69 -9.466 0.013 -3.941 1.00 0.00 C ATOM 1123 O THR A 69 -8.693 -0.361 -4.835 1.00 0.00 O ATOM 1124 CB THR A 69 -11.380 1.608 -4.508 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.791 1.690 -4.754 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.626 2.212 -5.701 1.00 0.00 C ATOM 0 H THR A 69 -12.418 0.235 -2.711 1.00 0.00 H new ATOM 0 HA THR A 69 -11.190 -0.469 -5.128 1.00 0.00 H new ATOM 0 HB THR A 69 -11.108 2.181 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.040 2.623 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.941 3.245 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.554 2.183 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.847 1.637 -6.600 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.063 0.323 -2.680 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.680 0.129 -2.197 1.00 0.00 C ATOM 1136 C PHE A 70 -7.176 -1.297 -2.487 1.00 0.00 C ATOM 1137 O PHE A 70 -6.106 -1.465 -3.073 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.591 0.434 -0.674 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.252 0.067 -0.028 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.075 0.720 -0.394 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.168 -0.955 0.927 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.865 0.369 0.174 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -4.957 -1.298 1.494 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.807 -0.640 1.115 1.00 0.00 C ATOM 0 H PHE A 70 -9.690 0.713 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.038 0.826 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.775 1.497 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.387 -0.106 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.110 1.509 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.063 -1.482 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.963 0.885 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.911 -2.082 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.859 -0.914 1.554 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.990 -2.298 -2.107 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.644 -3.717 -2.257 1.00 0.00 C ATOM 1156 C GLU A 71 -7.610 -4.128 -3.736 1.00 0.00 C ATOM 1157 O GLU A 71 -6.649 -4.741 -4.162 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.646 -4.608 -1.496 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.694 -4.354 0.018 1.00 0.00 C ATOM 1160 CD GLU A 71 -9.669 -5.295 0.723 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -10.877 -4.998 0.760 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -9.242 -6.361 1.206 1.00 0.00 O ATOM 0 H GLU A 71 -8.906 -2.142 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.649 -3.856 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.642 -4.451 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.390 -5.653 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.697 -4.482 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.988 -3.321 0.204 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.652 -3.745 -4.511 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.775 -4.095 -5.946 1.00 0.00 C ATOM 1171 C ARG A 72 -7.510 -3.677 -6.711 1.00 0.00 C ATOM 1172 O ARG A 72 -6.900 -4.489 -7.424 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.025 -3.414 -6.576 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.378 -3.846 -5.975 1.00 0.00 C ATOM 1175 CD ARG A 72 -11.696 -5.334 -6.162 1.00 0.00 C ATOM 1176 NE ARG A 72 -11.813 -5.696 -7.588 1.00 0.00 N ATOM 1177 CZ ARG A 72 -12.206 -6.901 -8.057 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -12.519 -7.893 -7.224 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -12.269 -7.112 -9.370 1.00 0.00 N ATOM 0 H ARG A 72 -9.430 -3.186 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.893 -5.176 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.925 -2.334 -6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.035 -3.627 -7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.381 -3.615 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.172 -3.255 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.913 -5.934 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.627 -5.574 -5.649 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.578 -4.979 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.464 -7.749 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.814 -8.796 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.021 -6.365 -10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.565 -8.020 -9.727 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.098 -2.419 -6.476 1.00 0.00 N ATOM 1194 CA ASN A 73 -5.891 -1.836 -7.072 1.00 0.00 C ATOM 1195 C ASN A 73 -4.637 -2.541 -6.548 1.00 0.00 C ATOM 1196 O ASN A 73 -3.874 -3.056 -7.339 1.00 0.00 O ATOM 1197 CB ASN A 73 -5.822 -0.318 -6.769 1.00 0.00 C ATOM 1198 CG ASN A 73 -6.949 0.474 -7.429 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -7.393 0.170 -8.541 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.437 1.473 -6.730 1.00 0.00 N ATOM 0 H ASN A 73 -7.599 -1.777 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.938 -1.975 -8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.862 -0.166 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.863 0.072 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.208 2.027 -7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.045 1.695 -5.815 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.493 -2.617 -5.209 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.288 -3.161 -4.542 1.00 0.00 C ATOM 1209 C LEU A 74 -2.970 -4.596 -5.000 1.00 0.00 C ATOM 1210 O LEU A 74 -1.857 -4.877 -5.454 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.487 -3.126 -2.999 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.282 -3.594 -2.125 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.060 -2.682 -2.299 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.681 -3.693 -0.649 1.00 0.00 C ATOM 0 H LEU A 74 -5.211 -2.302 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.440 -2.536 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.739 -2.105 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.347 -3.748 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.999 -4.588 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.244 -3.043 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.747 -2.689 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.320 -1.665 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.824 -4.021 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.011 -2.716 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.493 -4.412 -0.539 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.975 -5.476 -4.898 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.842 -6.894 -5.227 1.00 0.00 C ATOM 1228 C GLU A 75 -3.472 -7.112 -6.709 1.00 0.00 C ATOM 1229 O GLU A 75 -2.478 -7.787 -7.010 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.146 -7.643 -4.870 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.552 -7.556 -3.382 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.435 -7.953 -2.401 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -4.139 -9.155 -2.298 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -3.845 -7.065 -1.742 1.00 0.00 O ATOM 0 H GLU A 75 -4.910 -5.217 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.023 -7.300 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.957 -7.243 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.032 -8.693 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.868 -6.536 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.415 -8.201 -3.214 1.00 0.00 H new ATOM 1241 N THR A 76 -4.248 -6.478 -7.610 1.00 0.00 N ATOM 1242 CA THR A 76 -4.051 -6.598 -9.063 1.00 0.00 C ATOM 1243 C THR A 76 -2.670 -6.030 -9.475 1.00 0.00 C ATOM 1244 O THR A 76 -1.911 -6.681 -10.186 1.00 0.00 O ATOM 1245 CB THR A 76 -5.201 -5.857 -9.818 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.465 -6.438 -9.463 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.040 -5.901 -11.342 1.00 0.00 C ATOM 0 H THR A 76 -5.025 -5.871 -7.350 1.00 0.00 H new ATOM 0 HA THR A 76 -4.076 -7.653 -9.336 1.00 0.00 H new ATOM 0 HB THR A 76 -5.156 -4.811 -9.514 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.865 -5.927 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.868 -5.370 -11.811 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.100 -5.426 -11.622 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.037 -6.938 -11.678 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.374 -4.831 -8.957 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.128 -4.087 -9.219 1.00 0.00 C ATOM 1257 C LEU A 77 0.129 -4.883 -8.857 1.00 0.00 C ATOM 1258 O LEU A 77 1.058 -4.934 -9.657 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.154 -2.754 -8.450 1.00 0.00 C ATOM 1260 CG LEU A 77 0.059 -1.801 -8.612 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.358 -1.486 -10.094 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.200 -0.517 -7.821 1.00 0.00 C ATOM 0 H LEU A 77 -3.007 -4.337 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.080 -3.901 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.049 -2.211 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.262 -2.981 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 77 0.943 -2.301 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.215 -0.815 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.581 -2.411 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.511 -1.008 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.650 0.156 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.099 -0.031 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.335 -0.760 -6.767 1.00 0.00 H new ATOM 1274 N GLN A 78 0.134 -5.525 -7.675 1.00 0.00 N ATOM 1275 CA GLN A 78 1.286 -6.328 -7.227 1.00 0.00 C ATOM 1276 C GLN A 78 1.462 -7.563 -8.134 1.00 0.00 C ATOM 1277 O GLN A 78 2.587 -7.938 -8.458 1.00 0.00 O ATOM 1278 CB GLN A 78 1.143 -6.716 -5.733 1.00 0.00 C ATOM 1279 CG GLN A 78 1.196 -5.504 -4.779 1.00 0.00 C ATOM 1280 CD GLN A 78 1.101 -5.878 -3.299 1.00 0.00 C ATOM 1281 OE1 GLN A 78 2.113 -6.068 -2.623 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.116 -6.012 -2.793 1.00 0.00 N ATOM 0 H GLN A 78 -0.643 -5.504 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 78 2.190 -5.725 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.198 -7.241 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.938 -7.413 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.126 -4.961 -4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.381 -4.824 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.933 -5.847 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.235 -6.280 -1.816 1.00 0.00 H new ATOM 1291 N GLN A 79 0.333 -8.126 -8.610 1.00 0.00 N ATOM 1292 CA GLN A 79 0.346 -9.234 -9.594 1.00 0.00 C ATOM 1293 C GLN A 79 0.910 -8.767 -10.964 1.00 0.00 C ATOM 1294 O GLN A 79 1.648 -9.507 -11.616 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.077 -9.820 -9.783 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.664 -10.495 -8.525 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.115 -10.979 -8.689 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.892 -10.986 -7.727 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.490 -11.417 -9.886 1.00 0.00 N ATOM 0 H GLN A 79 -0.603 -7.832 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 79 1.000 -10.012 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.747 -9.019 -10.096 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.051 -10.549 -10.593 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.037 -11.345 -8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.619 -9.791 -7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.831 -11.401 -10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.437 -11.769 -10.027 1.00 0.00 H new ATOM 1308 N GLU A 80 0.563 -7.523 -11.370 1.00 0.00 N ATOM 1309 CA GLU A 80 1.024 -6.907 -12.642 1.00 0.00 C ATOM 1310 C GLU A 80 2.533 -6.588 -12.587 1.00 0.00 C ATOM 1311 O GLU A 80 3.247 -6.722 -13.585 1.00 0.00 O ATOM 1312 CB GLU A 80 0.218 -5.603 -12.940 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.293 -5.824 -13.169 1.00 0.00 C ATOM 1314 CD GLU A 80 -2.068 -4.518 -13.420 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -2.347 -3.784 -12.448 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -2.401 -4.216 -14.589 1.00 0.00 O ATOM 0 H GLU A 80 -0.047 -6.914 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 80 0.851 -7.625 -13.444 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.349 -4.911 -12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.640 -5.123 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.431 -6.490 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.715 -6.328 -12.300 1.00 0.00 H new ATOM 1323 N LEU A 81 2.989 -6.160 -11.401 1.00 0.00 N ATOM 1324 CA LEU A 81 4.399 -5.844 -11.127 1.00 0.00 C ATOM 1325 C LEU A 81 5.246 -7.121 -10.962 1.00 0.00 C ATOM 1326 O LEU A 81 6.470 -7.074 -11.117 1.00 0.00 O ATOM 1327 CB LEU A 81 4.482 -4.961 -9.849 1.00 0.00 C ATOM 1328 CG LEU A 81 3.895 -3.514 -9.959 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.832 -2.827 -8.576 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.698 -2.666 -10.961 1.00 0.00 C ATOM 0 H LEU A 81 2.381 -6.022 -10.594 1.00 0.00 H new ATOM 0 HA LEU A 81 4.807 -5.299 -11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.963 -5.479 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.529 -4.883 -9.556 1.00 0.00 H new ATOM 0 HG LEU A 81 2.875 -3.599 -10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.420 -1.824 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.196 -3.409 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.836 -2.763 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.268 -1.666 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.735 -2.598 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.661 -3.133 -11.945 1.00 0.00 H new ATOM 1342 N GLY A 82 4.580 -8.261 -10.684 1.00 0.00 N ATOM 1343 CA GLY A 82 5.263 -9.531 -10.416 1.00 0.00 C ATOM 1344 C GLY A 82 5.590 -9.747 -8.939 1.00 0.00 C ATOM 1345 O GLY A 82 6.269 -10.711 -8.598 1.00 0.00 O ATOM 0 H GLY A 82 3.563 -8.321 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.637 -10.352 -10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.187 -9.567 -10.994 1.00 0.00 H new ATOM 1349 N ILE A 83 5.110 -8.831 -8.074 1.00 0.00 N ATOM 1350 CA ILE A 83 5.249 -8.913 -6.605 1.00 0.00 C ATOM 1351 C ILE A 83 4.335 -10.044 -6.063 1.00 0.00 C ATOM 1352 O ILE A 83 3.108 -9.901 -6.078 1.00 0.00 O ATOM 1353 CB ILE A 83 4.842 -7.533 -5.945 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.717 -6.361 -6.480 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.903 -7.594 -4.408 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.342 -4.992 -5.933 1.00 0.00 C ATOM 0 H ILE A 83 4.606 -7.999 -8.381 1.00 0.00 H new ATOM 0 HA ILE A 83 6.287 -9.132 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 83 3.808 -7.342 -6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.760 -6.562 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.643 -6.336 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.617 -6.627 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.218 -8.361 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.918 -7.837 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.003 -4.237 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.310 -4.764 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.444 -4.993 -4.848 1.00 0.00 H new ATOM 1368 N GLU A 84 4.933 -11.153 -5.586 1.00 0.00 N ATOM 1369 CA GLU A 84 4.191 -12.370 -5.185 1.00 0.00 C ATOM 1370 C GLU A 84 4.506 -12.769 -3.742 1.00 0.00 C ATOM 1371 O GLU A 84 5.643 -12.601 -3.283 1.00 0.00 O ATOM 1372 CB GLU A 84 4.558 -13.540 -6.133 1.00 0.00 C ATOM 1373 CG GLU A 84 4.142 -13.331 -7.603 1.00 0.00 C ATOM 1374 CD GLU A 84 2.625 -13.122 -7.785 1.00 0.00 C ATOM 1375 OE1 GLU A 84 1.866 -14.095 -7.623 1.00 0.00 O ATOM 1376 OE2 GLU A 84 2.185 -11.987 -8.082 1.00 0.00 O ATOM 0 H GLU A 84 5.943 -11.233 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 84 3.125 -12.151 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.636 -13.698 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.088 -14.451 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.671 -12.466 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.455 -14.196 -8.188 1.00 0.00 H new ATOM 1383 N GLY A 85 3.461 -13.285 -3.053 1.00 0.00 N ATOM 1384 CA GLY A 85 3.576 -13.928 -1.746 1.00 0.00 C ATOM 1385 C GLY A 85 4.252 -13.083 -0.675 1.00 0.00 C ATOM 1386 O GLY A 85 3.740 -12.029 -0.308 1.00 0.00 O ATOM 0 H GLY A 85 2.504 -13.260 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.578 -14.197 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.134 -14.857 -1.862 1.00 0.00 H new ATOM 1390 N GLU A 86 5.427 -13.550 -0.213 1.00 0.00 N ATOM 1391 CA GLU A 86 6.179 -12.944 0.906 1.00 0.00 C ATOM 1392 C GLU A 86 6.669 -11.518 0.571 1.00 0.00 C ATOM 1393 O GLU A 86 6.876 -10.703 1.472 1.00 0.00 O ATOM 1394 CB GLU A 86 7.387 -13.850 1.277 1.00 0.00 C ATOM 1395 CG GLU A 86 7.032 -15.321 1.598 1.00 0.00 C ATOM 1396 CD GLU A 86 6.204 -15.504 2.884 1.00 0.00 C ATOM 1397 OE1 GLU A 86 6.795 -15.509 3.986 1.00 0.00 O ATOM 1398 OE2 GLU A 86 4.966 -15.643 2.803 1.00 0.00 O ATOM 0 H GLU A 86 5.888 -14.369 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 86 5.502 -12.864 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.098 -13.836 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.893 -13.418 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.477 -15.741 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.955 -15.894 1.688 1.00 0.00 H new ATOM 1405 N ASN A 87 6.865 -11.228 -0.724 1.00 0.00 N ATOM 1406 CA ASN A 87 7.359 -9.907 -1.171 1.00 0.00 C ATOM 1407 C ASN A 87 6.218 -8.868 -1.191 1.00 0.00 C ATOM 1408 O ASN A 87 6.477 -7.660 -1.174 1.00 0.00 O ATOM 1409 CB ASN A 87 8.036 -10.014 -2.565 1.00 0.00 C ATOM 1410 CG ASN A 87 8.863 -8.768 -2.933 1.00 0.00 C ATOM 1411 OD1 ASN A 87 10.045 -8.674 -2.605 1.00 0.00 O ATOM 1412 ND2 ASN A 87 8.253 -7.807 -3.606 1.00 0.00 N ATOM 0 H ASN A 87 6.691 -11.887 -1.483 1.00 0.00 H new ATOM 0 HA ASN A 87 8.108 -9.568 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.684 -10.890 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.269 -10.171 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.763 -6.963 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.272 -7.910 -3.866 1.00 0.00 H new ATOM 1419 N ARG A 88 4.957 -9.351 -1.235 1.00 0.00 N ATOM 1420 CA ARG A 88 3.771 -8.481 -1.142 1.00 0.00 C ATOM 1421 C ARG A 88 3.716 -7.814 0.232 1.00 0.00 C ATOM 1422 O ARG A 88 4.007 -8.459 1.247 1.00 0.00 O ATOM 1423 CB ARG A 88 2.469 -9.278 -1.392 1.00 0.00 C ATOM 1424 CG ARG A 88 2.332 -9.841 -2.814 1.00 0.00 C ATOM 1425 CD ARG A 88 1.084 -10.713 -3.003 1.00 0.00 C ATOM 1426 NE ARG A 88 0.947 -11.171 -4.401 1.00 0.00 N ATOM 1427 CZ ARG A 88 0.005 -12.021 -4.845 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -0.914 -12.520 -4.016 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -0.017 -12.362 -6.131 1.00 0.00 N ATOM 0 H ARG A 88 4.737 -10.342 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 88 3.854 -7.716 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.421 -10.103 -0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.616 -8.631 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.300 -9.014 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.218 -10.430 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.139 -11.577 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.197 -10.147 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 88 1.619 -10.815 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.908 -12.257 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.622 -13.164 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.678 -11.979 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.729 -13.006 -6.476 1.00 0.00 H new ATOM 1443 N VAL A 89 3.340 -6.531 0.243 1.00 0.00 N ATOM 1444 CA VAL A 89 3.280 -5.730 1.465 1.00 0.00 C ATOM 1445 C VAL A 89 2.018 -6.129 2.277 1.00 0.00 C ATOM 1446 O VAL A 89 0.899 -5.943 1.778 1.00 0.00 O ATOM 1447 CB VAL A 89 3.261 -4.192 1.149 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.342 -3.372 2.447 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.403 -3.800 0.178 1.00 0.00 C ATOM 0 H VAL A 89 3.069 -6.020 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 89 4.176 -5.930 2.053 1.00 0.00 H new ATOM 0 HB VAL A 89 2.316 -3.964 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.328 -2.309 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.490 -3.612 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.266 -3.613 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.361 -2.729 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.364 -4.048 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.288 -4.346 -0.758 1.00 0.00 H new ATOM 1459 N PRO A 90 2.174 -6.723 3.509 1.00 0.00 N ATOM 1460 CA PRO A 90 1.033 -7.165 4.358 1.00 0.00 C ATOM 1461 C PRO A 90 0.072 -6.025 4.723 1.00 0.00 C ATOM 1462 O PRO A 90 0.503 -4.913 5.020 1.00 0.00 O ATOM 1463 CB PRO A 90 1.722 -7.739 5.625 1.00 0.00 C ATOM 1464 CG PRO A 90 3.095 -8.106 5.161 1.00 0.00 C ATOM 1465 CD PRO A 90 3.470 -7.034 4.168 1.00 0.00 C ATOM 0 HA PRO A 90 0.404 -7.886 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.756 -7.003 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.187 -8.607 6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.798 -8.137 5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.105 -9.093 4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.893 -6.158 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.212 -7.388 3.453 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.228 -6.329 4.711 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.292 -5.350 4.953 1.00 0.00 C ATOM 1475 C VAL A 91 -2.868 -5.592 6.355 1.00 0.00 C ATOM 1476 O VAL A 91 -3.486 -6.631 6.612 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.411 -5.463 3.857 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.464 -4.349 3.998 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.792 -5.465 2.440 1.00 0.00 C ATOM 0 H VAL A 91 -1.576 -7.271 4.531 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.885 -4.341 4.896 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.924 -6.413 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.220 -4.463 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.937 -4.417 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.981 -3.377 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.585 -5.544 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.239 -4.539 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.115 -6.313 2.340 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.639 -4.633 7.260 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.951 -4.766 8.688 1.00 0.00 C ATOM 1491 C VAL A 92 -4.113 -3.837 9.050 1.00 0.00 C ATOM 1492 O VAL A 92 -3.920 -2.644 9.272 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.685 -4.417 9.560 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.982 -4.547 11.071 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.483 -5.292 9.143 1.00 0.00 C ATOM 0 H VAL A 92 -2.227 -3.732 7.018 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.239 -5.797 8.894 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.426 -3.375 9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.086 -4.299 11.641 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.786 -3.864 11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.283 -5.570 11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.382 -5.038 9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.732 -6.344 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.250 -5.113 8.093 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.326 -4.385 9.083 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.521 -3.633 9.479 1.00 0.00 C ATOM 1507 C TYR A 93 -6.487 -3.335 10.980 1.00 0.00 C ATOM 1508 O TYR A 93 -6.710 -4.228 11.799 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.793 -4.425 9.101 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.978 -4.538 7.589 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.389 -5.575 6.856 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -8.701 -3.576 6.888 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.523 -5.644 5.485 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -8.823 -3.638 5.518 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.235 -4.670 4.824 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.342 -4.702 3.458 1.00 0.00 O ATOM 0 H TYR A 93 -5.511 -5.358 8.838 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.537 -2.682 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.738 -5.424 9.534 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.665 -3.937 9.536 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.820 -6.334 7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.173 -2.769 7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.072 -6.457 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.379 -2.878 4.989 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.683 -5.577 3.177 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.152 -2.089 11.327 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.235 -1.579 12.697 1.00 0.00 C ATOM 1528 C ILE A 94 -7.547 -0.787 12.811 1.00 0.00 C ATOM 1529 O ILE A 94 -7.847 0.027 11.941 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.009 -0.648 13.051 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.662 -1.430 12.896 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.151 -0.049 14.477 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.412 -0.618 13.202 1.00 0.00 C ATOM 0 H ILE A 94 -5.812 -1.399 10.657 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.212 -2.412 13.399 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.001 0.184 12.347 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.684 -2.298 13.555 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.592 -1.807 11.875 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.292 0.587 14.692 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.064 0.543 14.534 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.196 -0.856 15.208 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.530 -1.244 13.067 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.358 0.236 12.526 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.452 -0.263 14.232 1.00 0.00 H new