USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 453 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 72 HIS : no HD1:sc= -5.33! C(o=-13!,f=-13!) USER MOD Set 1.2: A 76 ASN : amide:sc= -7.85! C(o=-13!,f=-23!) USER MOD Single : A 17 ASN : amide:sc= -4.35! K(o=-4.4!,f=-1.5) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= -0.634 (180deg=-1.14) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -6.01! C(o=-6!,f=-10!) USER MOD Single : A 28 ASN : amide:sc= -4.13! K(o=-4.1!,f=-1.6) USER MOD Single : A 29 SER OG : rot 69:sc= 0.67 USER MOD Single : A 36 GLN : amide:sc= -8.22! C(o=-8.2!,f=-7.3!) USER MOD Single : A 43 THR OG1 : rot 103:sc= 0.814 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 120:sc= -1.1 USER MOD Single : A 80 ASN : amide:sc= -4.02! C(o=-4!,f=-4.6!) USER MOD Single : A 81 GLN : amide:sc= -2.82! K(o=-2.8!,f=-0.35) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -24:sc= 0.914 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 5.662 9.617 -6.370 1.00 0.00 N ATOM 269 CA ASN A 17 6.150 8.472 -7.191 1.00 0.00 C ATOM 270 C ASN A 17 5.550 7.163 -6.646 1.00 0.00 C ATOM 271 O ASN A 17 6.274 6.335 -6.129 1.00 0.00 O ATOM 272 CB ASN A 17 7.683 8.399 -7.098 1.00 0.00 C ATOM 273 CG ASN A 17 8.103 8.434 -5.628 1.00 0.00 C ATOM 274 OD1 ASN A 17 9.271 8.566 -5.322 1.00 0.00 O ATOM 275 ND2 ASN A 17 7.194 8.322 -4.699 1.00 0.00 N ATOM 0 HA ASN A 17 5.849 8.612 -8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.044 7.485 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.132 9.234 -7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.464 8.345 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.213 8.211 -4.956 1.00 0.00 H new ATOM 282 N PRO A 18 4.246 7.012 -6.761 1.00 0.00 N ATOM 283 CA PRO A 18 3.561 5.801 -6.262 1.00 0.00 C ATOM 284 C PRO A 18 4.021 4.563 -7.053 1.00 0.00 C ATOM 285 O PRO A 18 3.826 3.439 -6.634 1.00 0.00 O ATOM 286 CB PRO A 18 2.054 6.078 -6.481 1.00 0.00 C ATOM 287 CG PRO A 18 1.931 7.439 -7.227 1.00 0.00 C ATOM 288 CD PRO A 18 3.356 8.017 -7.385 1.00 0.00 C ATOM 0 HA PRO A 18 3.784 5.596 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.598 5.278 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.529 6.115 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.464 7.300 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.299 8.127 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.607 8.169 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.447 8.985 -6.892 1.00 0.00 H new ATOM 296 N LYS A 19 4.616 4.765 -8.194 1.00 0.00 N ATOM 297 CA LYS A 19 5.073 3.611 -9.020 1.00 0.00 C ATOM 298 C LYS A 19 6.040 2.724 -8.227 1.00 0.00 C ATOM 299 O LYS A 19 6.032 1.517 -8.367 1.00 0.00 O ATOM 300 CB LYS A 19 5.782 4.135 -10.272 1.00 0.00 C ATOM 301 CG LYS A 19 6.205 2.953 -11.159 1.00 0.00 C ATOM 302 CD LYS A 19 6.444 3.437 -12.591 1.00 0.00 C ATOM 303 CE LYS A 19 7.147 2.339 -13.392 1.00 0.00 C ATOM 304 NZ LYS A 19 8.487 2.066 -12.799 1.00 0.00 N ATOM 0 H LYS A 19 4.807 5.684 -8.593 1.00 0.00 H new ATOM 0 HA LYS A 19 4.203 3.017 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.119 4.799 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.656 4.721 -9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.113 2.497 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.432 2.185 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.495 3.694 -13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.052 4.342 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.545 1.430 -13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.254 2.646 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.222 2.217 -13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.649 2.708 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.525 1.081 -12.467 1.00 0.00 H new ATOM 318 N THR A 20 6.882 3.297 -7.409 1.00 0.00 N ATOM 319 CA THR A 20 7.841 2.462 -6.645 1.00 0.00 C ATOM 320 C THR A 20 7.095 1.631 -5.594 1.00 0.00 C ATOM 321 O THR A 20 7.413 0.482 -5.363 1.00 0.00 O ATOM 322 CB THR A 20 8.874 3.366 -5.970 1.00 0.00 C ATOM 323 OG1 THR A 20 9.688 3.977 -6.960 1.00 0.00 O ATOM 324 CG2 THR A 20 9.745 2.531 -5.037 1.00 0.00 C ATOM 0 H THR A 20 6.944 4.301 -7.240 1.00 0.00 H new ATOM 0 HA THR A 20 8.351 1.780 -7.326 1.00 0.00 H new ATOM 0 HB THR A 20 8.362 4.138 -5.395 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.349 4.558 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.482 3.174 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.119 2.063 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.257 1.759 -5.611 1.00 0.00 H new ATOM 332 N PHE A 21 6.110 2.198 -4.956 1.00 0.00 N ATOM 333 CA PHE A 21 5.358 1.427 -3.925 1.00 0.00 C ATOM 334 C PHE A 21 4.801 0.152 -4.579 1.00 0.00 C ATOM 335 O PHE A 21 4.799 -0.910 -3.990 1.00 0.00 O ATOM 336 CB PHE A 21 4.216 2.322 -3.358 1.00 0.00 C ATOM 337 CG PHE A 21 2.921 1.544 -3.224 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.053 1.448 -4.318 1.00 0.00 C ATOM 339 CD2 PHE A 21 2.601 0.911 -2.017 1.00 0.00 C ATOM 340 CE1 PHE A 21 0.863 0.720 -4.207 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.409 0.185 -1.904 1.00 0.00 C ATOM 342 CZ PHE A 21 0.541 0.088 -2.998 1.00 0.00 C ATOM 0 H PHE A 21 5.794 3.157 -5.102 1.00 0.00 H new ATOM 0 HA PHE A 21 6.007 1.139 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.509 2.715 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.062 3.178 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.302 1.936 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.273 0.983 -1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.194 0.645 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.159 -0.300 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.377 -0.474 -2.910 1.00 0.00 H new ATOM 352 N PHE A 22 4.317 0.260 -5.783 1.00 0.00 N ATOM 353 CA PHE A 22 3.747 -0.932 -6.471 1.00 0.00 C ATOM 354 C PHE A 22 4.835 -1.989 -6.710 1.00 0.00 C ATOM 355 O PHE A 22 4.584 -3.177 -6.625 1.00 0.00 O ATOM 356 CB PHE A 22 3.139 -0.500 -7.811 1.00 0.00 C ATOM 357 CG PHE A 22 2.363 -1.651 -8.397 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.011 -2.593 -9.204 1.00 0.00 C ATOM 359 CD2 PHE A 22 0.995 -1.777 -8.131 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.290 -3.662 -9.746 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.274 -2.846 -8.673 1.00 0.00 C ATOM 362 CZ PHE A 22 0.921 -3.787 -9.480 1.00 0.00 C ATOM 0 H PHE A 22 4.291 1.125 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 22 2.974 -1.370 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.484 0.360 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.926 -0.189 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.067 -2.495 -9.408 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.496 -1.049 -7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.789 -4.390 -10.369 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.782 -2.945 -8.468 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.364 -4.612 -9.899 1.00 0.00 H new ATOM 372 N ILE A 23 6.041 -1.581 -7.007 1.00 0.00 N ATOM 373 CA ILE A 23 7.113 -2.577 -7.253 1.00 0.00 C ATOM 374 C ILE A 23 7.545 -3.194 -5.923 1.00 0.00 C ATOM 375 O ILE A 23 7.427 -4.385 -5.716 1.00 0.00 O ATOM 376 CB ILE A 23 8.287 -1.868 -7.926 1.00 0.00 C ATOM 377 CG1 ILE A 23 7.834 -1.348 -9.299 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.437 -2.853 -8.105 1.00 0.00 C ATOM 379 CD1 ILE A 23 8.845 -0.331 -9.833 1.00 0.00 C ATOM 0 H ILE A 23 6.325 -0.605 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 23 6.754 -3.375 -7.903 1.00 0.00 H new ATOM 0 HB ILE A 23 8.621 -1.034 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.738 -2.179 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.850 -0.886 -9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.276 -2.349 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.749 -3.229 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.109 -3.686 -8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.516 0.032 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.920 0.507 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.821 -0.806 -9.934 1.00 0.00 H new ATOM 391 N LEU A 24 8.046 -2.400 -5.019 1.00 0.00 N ATOM 392 CA LEU A 24 8.480 -2.956 -3.706 1.00 0.00 C ATOM 393 C LEU A 24 7.406 -3.909 -3.133 1.00 0.00 C ATOM 394 O LEU A 24 7.732 -4.854 -2.441 1.00 0.00 O ATOM 395 CB LEU A 24 8.727 -1.801 -2.733 1.00 0.00 C ATOM 396 CG LEU A 24 9.351 -2.322 -1.428 1.00 0.00 C ATOM 397 CD1 LEU A 24 10.757 -2.898 -1.691 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.445 -1.164 -0.423 1.00 0.00 C ATOM 0 H LEU A 24 8.174 -1.394 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 24 9.399 -3.526 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.389 -1.066 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.787 -1.293 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 24 8.724 -3.117 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.182 -3.262 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.686 -3.722 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.398 -2.119 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.887 -1.524 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.068 -0.372 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.447 -0.774 -0.223 1.00 0.00 H new ATOM 410 N HIS A 25 6.137 -3.694 -3.407 1.00 0.00 N ATOM 411 CA HIS A 25 5.093 -4.616 -2.866 1.00 0.00 C ATOM 412 C HIS A 25 4.946 -5.823 -3.799 1.00 0.00 C ATOM 413 O HIS A 25 4.374 -6.831 -3.437 1.00 0.00 O ATOM 414 CB HIS A 25 3.750 -3.885 -2.761 1.00 0.00 C ATOM 415 CG HIS A 25 3.872 -2.754 -1.777 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.031 -2.004 -1.653 1.00 0.00 N ATOM 417 CD2 HIS A 25 2.992 -2.239 -0.858 1.00 0.00 C ATOM 418 CE1 HIS A 25 4.818 -1.086 -0.691 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.591 -1.186 -0.174 1.00 0.00 N ATOM 0 H HIS A 25 5.786 -2.925 -3.978 1.00 0.00 H new ATOM 0 HA HIS A 25 5.394 -4.953 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.455 -3.502 -3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.971 -4.577 -2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.987 -2.597 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.550 -0.358 -0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.181 -0.613 0.564 1.00 0.00 H new ATOM 427 N ASP A 26 5.473 -5.736 -4.992 1.00 0.00 N ATOM 428 CA ASP A 26 5.375 -6.891 -5.933 1.00 0.00 C ATOM 429 C ASP A 26 6.359 -7.980 -5.487 1.00 0.00 C ATOM 430 O ASP A 26 7.526 -7.952 -5.821 1.00 0.00 O ATOM 431 CB ASP A 26 5.723 -6.431 -7.350 1.00 0.00 C ATOM 432 CG ASP A 26 4.637 -5.484 -7.863 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.541 -5.528 -7.329 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.918 -4.734 -8.782 1.00 0.00 O ATOM 0 H ASP A 26 5.965 -4.919 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 26 4.359 -7.287 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.690 -5.927 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.811 -7.293 -8.012 1.00 0.00 H new ATOM 439 N ILE A 27 5.895 -8.924 -4.714 1.00 0.00 N ATOM 440 CA ILE A 27 6.783 -10.004 -4.211 1.00 0.00 C ATOM 441 C ILE A 27 7.065 -11.038 -5.308 1.00 0.00 C ATOM 442 O ILE A 27 8.204 -11.372 -5.570 1.00 0.00 O ATOM 443 CB ILE A 27 6.083 -10.663 -3.024 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.646 -9.577 -2.036 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.023 -11.628 -2.316 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.007 -10.228 -0.808 1.00 0.00 C ATOM 0 H ILE A 27 4.925 -8.991 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 27 7.743 -9.587 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 27 5.218 -11.217 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.505 -8.977 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.936 -8.901 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.506 -12.087 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.341 -12.403 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.896 -11.085 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.697 -9.454 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.137 -10.809 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.731 -10.885 -0.327 1.00 0.00 H new ATOM 458 N ASN A 28 6.052 -11.559 -5.948 1.00 0.00 N ATOM 459 CA ASN A 28 6.296 -12.582 -7.019 1.00 0.00 C ATOM 460 C ASN A 28 6.521 -11.888 -8.366 1.00 0.00 C ATOM 461 O ASN A 28 6.616 -12.531 -9.391 1.00 0.00 O ATOM 462 CB ASN A 28 5.103 -13.540 -7.128 1.00 0.00 C ATOM 463 CG ASN A 28 5.446 -14.676 -8.098 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.590 -15.462 -8.454 1.00 0.00 O ATOM 465 ND2 ASN A 28 6.668 -14.798 -8.547 1.00 0.00 N ATOM 0 H ASN A 28 5.073 -11.326 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 28 7.185 -13.154 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.859 -13.947 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.222 -13.002 -7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.901 -15.551 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.389 -14.140 -8.250 1.00 0.00 H new ATOM 472 N SER A 29 6.630 -10.587 -8.372 1.00 0.00 N ATOM 473 CA SER A 29 6.873 -9.859 -9.654 1.00 0.00 C ATOM 474 C SER A 29 5.975 -10.412 -10.764 1.00 0.00 C ATOM 475 O SER A 29 6.427 -10.695 -11.856 1.00 0.00 O ATOM 476 CB SER A 29 8.335 -10.023 -10.058 1.00 0.00 C ATOM 477 OG SER A 29 8.522 -11.304 -10.647 1.00 0.00 O ATOM 0 H SER A 29 6.561 -9.995 -7.544 1.00 0.00 H new ATOM 0 HA SER A 29 6.642 -8.804 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.619 -9.242 -10.763 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.979 -9.914 -9.185 1.00 0.00 H new ATOM 0 HG SER A 29 8.067 -11.335 -11.515 1.00 0.00 H new ATOM 483 N ASP A 30 4.704 -10.552 -10.503 1.00 0.00 N ATOM 484 CA ASP A 30 3.770 -11.067 -11.548 1.00 0.00 C ATOM 485 C ASP A 30 3.187 -9.876 -12.306 1.00 0.00 C ATOM 486 O ASP A 30 2.393 -10.025 -13.214 1.00 0.00 O ATOM 487 CB ASP A 30 2.640 -11.854 -10.880 1.00 0.00 C ATOM 488 CG ASP A 30 2.049 -11.029 -9.736 1.00 0.00 C ATOM 489 OD1 ASP A 30 2.594 -9.975 -9.449 1.00 0.00 O ATOM 490 OD2 ASP A 30 1.063 -11.464 -9.166 1.00 0.00 O ATOM 0 H ASP A 30 4.269 -10.331 -9.607 1.00 0.00 H new ATOM 0 HA ASP A 30 4.302 -11.724 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.866 -12.089 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.019 -12.803 -10.500 1.00 0.00 H new ATOM 495 N GLY A 31 3.582 -8.691 -11.932 1.00 0.00 N ATOM 496 CA GLY A 31 3.068 -7.471 -12.612 1.00 0.00 C ATOM 497 C GLY A 31 1.673 -7.135 -12.087 1.00 0.00 C ATOM 498 O GLY A 31 1.099 -6.129 -12.455 1.00 0.00 O ATOM 0 H GLY A 31 4.245 -8.515 -11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.744 -6.634 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.032 -7.632 -13.689 1.00 0.00 H new ATOM 502 N VAL A 32 1.130 -7.948 -11.209 1.00 0.00 N ATOM 503 CA VAL A 32 -0.224 -7.647 -10.632 1.00 0.00 C ATOM 504 C VAL A 32 -0.200 -7.964 -9.133 1.00 0.00 C ATOM 505 O VAL A 32 0.663 -8.678 -8.661 1.00 0.00 O ATOM 506 CB VAL A 32 -1.315 -8.485 -11.351 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.896 -8.734 -12.801 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.544 -9.836 -10.645 1.00 0.00 C ATOM 0 H VAL A 32 1.564 -8.805 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.462 -6.593 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.248 -7.922 -11.321 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.662 -9.322 -13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.775 -7.780 -13.314 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.049 -9.277 -12.819 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.314 -10.397 -11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.616 -10.407 -10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.865 -9.660 -9.618 1.00 0.00 H new ATOM 518 N LEU A 33 -1.164 -7.480 -8.395 1.00 0.00 N ATOM 519 CA LEU A 33 -1.234 -7.798 -6.920 1.00 0.00 C ATOM 520 C LEU A 33 -2.494 -8.643 -6.698 1.00 0.00 C ATOM 521 O LEU A 33 -3.606 -8.174 -6.837 1.00 0.00 O ATOM 522 CB LEU A 33 -1.273 -6.493 -6.065 1.00 0.00 C ATOM 523 CG LEU A 33 -0.393 -6.647 -4.806 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.092 -6.457 -5.164 1.00 0.00 C ATOM 525 CD2 LEU A 33 -0.791 -5.588 -3.772 1.00 0.00 C ATOM 0 H LEU A 33 -1.910 -6.877 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.347 -8.347 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.922 -5.650 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.300 -6.272 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.541 -7.647 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.700 -6.568 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.388 -7.206 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.241 -5.461 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.170 -5.696 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.648 -4.594 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.839 -5.720 -3.501 1.00 0.00 H new ATOM 537 N ASP A 34 -2.317 -9.905 -6.390 1.00 0.00 N ATOM 538 CA ASP A 34 -3.494 -10.819 -6.200 1.00 0.00 C ATOM 539 C ASP A 34 -3.976 -10.790 -4.741 1.00 0.00 C ATOM 540 O ASP A 34 -3.492 -10.031 -3.926 1.00 0.00 O ATOM 541 CB ASP A 34 -3.101 -12.252 -6.605 1.00 0.00 C ATOM 542 CG ASP A 34 -2.093 -12.197 -7.754 1.00 0.00 C ATOM 543 OD1 ASP A 34 -2.527 -12.132 -8.893 1.00 0.00 O ATOM 544 OD2 ASP A 34 -0.906 -12.221 -7.477 1.00 0.00 O ATOM 0 H ASP A 34 -1.406 -10.346 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.313 -10.477 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.669 -12.777 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.986 -12.811 -6.909 1.00 0.00 H new ATOM 549 N GLU A 35 -4.951 -11.606 -4.423 1.00 0.00 N ATOM 550 CA GLU A 35 -5.508 -11.634 -3.040 1.00 0.00 C ATOM 551 C GLU A 35 -4.540 -12.311 -2.061 1.00 0.00 C ATOM 552 O GLU A 35 -4.323 -11.823 -0.971 1.00 0.00 O ATOM 553 CB GLU A 35 -6.837 -12.391 -3.046 1.00 0.00 C ATOM 554 CG GLU A 35 -7.523 -12.220 -1.692 1.00 0.00 C ATOM 555 CD GLU A 35 -8.867 -12.951 -1.703 1.00 0.00 C ATOM 556 OE1 GLU A 35 -8.937 -14.011 -2.302 1.00 0.00 O ATOM 557 OE2 GLU A 35 -9.802 -12.440 -1.110 1.00 0.00 O ATOM 0 H GLU A 35 -5.388 -12.260 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.660 -10.606 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.479 -12.014 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.665 -13.448 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.889 -12.616 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.675 -11.161 -1.481 1.00 0.00 H new ATOM 564 N GLN A 36 -3.956 -13.419 -2.416 1.00 0.00 N ATOM 565 CA GLN A 36 -3.022 -14.079 -1.467 1.00 0.00 C ATOM 566 C GLN A 36 -1.896 -13.103 -1.146 1.00 0.00 C ATOM 567 O GLN A 36 -1.279 -13.170 -0.101 1.00 0.00 O ATOM 568 CB GLN A 36 -2.468 -15.379 -2.076 1.00 0.00 C ATOM 569 CG GLN A 36 -1.611 -15.083 -3.321 1.00 0.00 C ATOM 570 CD GLN A 36 -0.161 -14.769 -2.922 1.00 0.00 C ATOM 571 OE1 GLN A 36 0.690 -14.610 -3.775 1.00 0.00 O ATOM 572 NE2 GLN A 36 0.165 -14.675 -1.660 1.00 0.00 N ATOM 0 H GLN A 36 -4.083 -13.891 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.546 -14.346 -0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.868 -15.906 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.293 -16.039 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.630 -15.940 -3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.034 -14.240 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.544 -14.807 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.129 -14.469 -1.396 1.00 0.00 H new ATOM 581 N GLU A 37 -1.634 -12.179 -2.034 1.00 0.00 N ATOM 582 CA GLU A 37 -0.554 -11.178 -1.771 1.00 0.00 C ATOM 583 C GLU A 37 -1.141 -10.025 -0.945 1.00 0.00 C ATOM 584 O GLU A 37 -0.481 -9.450 -0.105 1.00 0.00 O ATOM 585 CB GLU A 37 0.012 -10.649 -3.101 1.00 0.00 C ATOM 586 CG GLU A 37 0.526 -11.821 -3.937 1.00 0.00 C ATOM 587 CD GLU A 37 1.134 -11.294 -5.238 1.00 0.00 C ATOM 588 OE1 GLU A 37 0.408 -10.681 -6.002 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.316 -11.512 -5.447 1.00 0.00 O ATOM 0 H GLU A 37 -2.118 -12.073 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 37 0.259 -11.648 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.761 -10.109 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.820 -9.943 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.273 -12.382 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.290 -12.509 -4.157 1.00 0.00 H new ATOM 596 N LEU A 38 -2.388 -9.703 -1.170 1.00 0.00 N ATOM 597 CA LEU A 38 -3.050 -8.609 -0.402 1.00 0.00 C ATOM 598 C LEU A 38 -3.362 -9.102 1.013 1.00 0.00 C ATOM 599 O LEU A 38 -3.351 -8.343 1.961 1.00 0.00 O ATOM 600 CB LEU A 38 -4.371 -8.247 -1.106 1.00 0.00 C ATOM 601 CG LEU A 38 -5.030 -6.989 -0.464 1.00 0.00 C ATOM 602 CD1 LEU A 38 -4.528 -5.694 -1.134 1.00 0.00 C ATOM 603 CD2 LEU A 38 -6.559 -7.051 -0.630 1.00 0.00 C ATOM 0 H LEU A 38 -2.983 -10.158 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.395 -7.739 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.183 -8.062 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.059 -9.090 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.759 -6.981 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.005 -4.833 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.447 -5.619 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.777 -5.713 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.010 -6.168 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.809 -7.084 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.942 -7.946 -0.139 1.00 0.00 H new ATOM 615 N GLU A 39 -3.647 -10.367 1.161 1.00 0.00 N ATOM 616 CA GLU A 39 -3.969 -10.905 2.506 1.00 0.00 C ATOM 617 C GLU A 39 -2.699 -10.944 3.366 1.00 0.00 C ATOM 618 O GLU A 39 -2.704 -10.540 4.512 1.00 0.00 O ATOM 619 CB GLU A 39 -4.543 -12.323 2.346 1.00 0.00 C ATOM 620 CG GLU A 39 -5.470 -12.648 3.518 1.00 0.00 C ATOM 621 CD GLU A 39 -4.685 -12.573 4.829 1.00 0.00 C ATOM 622 OE1 GLU A 39 -4.008 -13.536 5.147 1.00 0.00 O ATOM 623 OE2 GLU A 39 -4.775 -11.553 5.493 1.00 0.00 O ATOM 0 H GLU A 39 -3.670 -11.050 0.404 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.703 -10.266 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.091 -12.398 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.732 -13.050 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.304 -11.946 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.895 -13.644 3.393 1.00 0.00 H new ATOM 630 N ALA A 40 -1.615 -11.437 2.829 1.00 0.00 N ATOM 631 CA ALA A 40 -0.357 -11.512 3.628 1.00 0.00 C ATOM 632 C ALA A 40 0.217 -10.111 3.858 1.00 0.00 C ATOM 633 O ALA A 40 0.779 -9.828 4.898 1.00 0.00 O ATOM 634 CB ALA A 40 0.667 -12.366 2.891 1.00 0.00 C ATOM 0 H ALA A 40 -1.546 -11.790 1.875 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.584 -11.962 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.585 -12.419 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.268 -13.370 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.881 -11.920 1.920 1.00 0.00 H new ATOM 640 N LEU A 41 0.090 -9.230 2.902 1.00 0.00 N ATOM 641 CA LEU A 41 0.643 -7.856 3.091 1.00 0.00 C ATOM 642 C LEU A 41 -0.187 -7.115 4.152 1.00 0.00 C ATOM 643 O LEU A 41 0.291 -6.207 4.794 1.00 0.00 O ATOM 644 CB LEU A 41 0.604 -7.081 1.747 1.00 0.00 C ATOM 645 CG LEU A 41 1.950 -7.219 1.001 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.740 -6.969 -0.497 1.00 0.00 C ATOM 647 CD2 LEU A 41 2.956 -6.194 1.539 1.00 0.00 C ATOM 0 H LEU A 41 -0.368 -9.399 2.006 1.00 0.00 H new ATOM 0 HA LEU A 41 1.678 -7.924 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.204 -7.463 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.392 -6.028 1.934 1.00 0.00 H new ATOM 0 HG LEU A 41 2.335 -8.226 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.692 -7.067 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.032 -7.698 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.346 -5.964 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.902 -6.299 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.565 -5.188 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.117 -6.366 2.603 1.00 0.00 H new ATOM 659 N PHE A 42 -1.427 -7.482 4.331 1.00 0.00 N ATOM 660 CA PHE A 42 -2.270 -6.766 5.345 1.00 0.00 C ATOM 661 C PHE A 42 -1.979 -7.320 6.747 1.00 0.00 C ATOM 662 O PHE A 42 -1.720 -6.582 7.678 1.00 0.00 O ATOM 663 CB PHE A 42 -3.783 -6.946 5.007 1.00 0.00 C ATOM 664 CG PHE A 42 -4.441 -5.597 4.774 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.003 -4.794 3.716 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.477 -5.148 5.611 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.595 -3.548 3.489 1.00 0.00 C ATOM 668 CE2 PHE A 42 -6.065 -3.901 5.384 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.626 -3.101 4.323 1.00 0.00 C ATOM 0 H PHE A 42 -1.893 -8.237 3.828 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.027 -5.704 5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.892 -7.568 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.285 -7.466 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.206 -5.137 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.818 -5.766 6.428 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.257 -2.930 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.859 -3.554 6.028 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.083 -2.138 4.148 1.00 0.00 H new ATOM 679 N THR A 43 -2.046 -8.609 6.907 1.00 0.00 N ATOM 680 CA THR A 43 -1.811 -9.211 8.247 1.00 0.00 C ATOM 681 C THR A 43 -0.344 -9.081 8.667 1.00 0.00 C ATOM 682 O THR A 43 -0.044 -8.728 9.790 1.00 0.00 O ATOM 683 CB THR A 43 -2.190 -10.694 8.199 1.00 0.00 C ATOM 684 OG1 THR A 43 -3.579 -10.814 7.927 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.872 -11.350 9.543 1.00 0.00 C ATOM 0 H THR A 43 -2.254 -9.276 6.164 1.00 0.00 H new ATOM 0 HA THR A 43 -2.423 -8.680 8.976 1.00 0.00 H new ATOM 0 HB THR A 43 -1.620 -11.191 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.708 -11.070 6.990 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.143 -12.405 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.806 -11.256 9.751 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.440 -10.857 10.332 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.369 -3.025 10.973 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.099 -4.090 9.966 1.00 0.00 C ATOM 1059 C ARG A 66 -9.130 -4.013 8.836 1.00 0.00 C ATOM 1060 O ARG A 66 -8.786 -3.985 7.670 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.198 -5.466 10.646 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.546 -6.531 9.747 1.00 0.00 C ATOM 1063 CD ARG A 66 -6.005 -6.374 9.725 1.00 0.00 C ATOM 1064 NE ARG A 66 -5.340 -7.689 10.019 1.00 0.00 N ATOM 1065 CZ ARG A 66 -5.617 -8.375 11.097 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -6.427 -7.889 11.996 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -5.061 -9.539 11.286 1.00 0.00 N ATOM 0 HA ARG A 66 -7.100 -3.949 9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.702 -5.441 11.616 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.242 -5.719 10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.808 -7.526 10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.938 -6.445 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.684 -6.007 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.698 -5.631 10.462 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.654 -8.056 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.848 -6.970 11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.640 -8.428 12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.412 -9.912 10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.275 -10.076 12.126 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.392 -3.995 9.170 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.444 -3.940 8.116 1.00 0.00 C ATOM 1083 C LEU A 67 -11.601 -2.501 7.604 1.00 0.00 C ATOM 1084 O LEU A 67 -12.004 -2.276 6.480 1.00 0.00 O ATOM 1085 CB LEU A 67 -12.771 -4.480 8.700 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.596 -3.352 9.363 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.394 -2.547 8.302 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.562 -3.969 10.392 1.00 0.00 C ATOM 0 H LEU A 67 -10.740 -4.016 10.129 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.157 -4.562 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.357 -4.944 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.558 -5.257 9.434 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.913 -2.665 9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.965 -1.761 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.702 -2.100 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.076 -3.215 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.146 -3.178 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.233 -4.666 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.991 -4.501 11.154 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.299 -1.526 8.417 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.452 -0.110 7.962 1.00 0.00 C ATOM 1102 C ARG A 68 -10.524 0.158 6.765 1.00 0.00 C ATOM 1103 O ARG A 68 -10.889 0.840 5.826 1.00 0.00 O ATOM 1104 CB ARG A 68 -11.107 0.834 9.127 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.767 2.210 8.925 1.00 0.00 C ATOM 1106 CD ARG A 68 -11.135 2.957 7.735 1.00 0.00 C ATOM 1107 NE ARG A 68 -11.117 4.417 8.028 1.00 0.00 N ATOM 1108 CZ ARG A 68 -10.367 5.217 7.319 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -9.633 4.736 6.353 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -10.352 6.494 7.578 1.00 0.00 N ATOM 0 H ARG A 68 -10.955 -1.644 9.370 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.481 0.066 7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.444 0.398 10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.026 0.951 9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.836 2.083 8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.659 2.806 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.121 2.596 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.703 2.763 6.825 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.691 4.792 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.646 3.736 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.047 5.360 5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.926 6.868 8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.766 7.120 7.025 1.00 0.00 H new ATOM 1124 N MET A 69 -9.331 -0.376 6.787 1.00 0.00 N ATOM 1125 CA MET A 69 -8.386 -0.146 5.641 1.00 0.00 C ATOM 1126 C MET A 69 -8.639 -1.185 4.540 1.00 0.00 C ATOM 1127 O MET A 69 -8.497 -0.894 3.371 1.00 0.00 O ATOM 1128 CB MET A 69 -6.910 -0.218 6.109 1.00 0.00 C ATOM 1129 CG MET A 69 -5.962 0.359 5.037 1.00 0.00 C ATOM 1130 SD MET A 69 -4.326 -0.395 5.221 1.00 0.00 S ATOM 1131 CE MET A 69 -3.736 0.668 6.561 1.00 0.00 C ATOM 0 H MET A 69 -8.967 -0.958 7.541 1.00 0.00 H new ATOM 0 HA MET A 69 -8.567 0.853 5.245 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.792 0.336 7.040 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.641 -1.253 6.318 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.357 0.161 4.041 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.891 1.442 5.142 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.724 0.374 6.840 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.734 1.706 6.228 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.394 0.565 7.424 1.00 0.00 H new ATOM 1141 N ARG A 70 -9.026 -2.383 4.884 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.293 -3.396 3.820 1.00 0.00 C ATOM 1143 C ARG A 70 -10.488 -2.943 2.976 1.00 0.00 C ATOM 1144 O ARG A 70 -10.581 -3.245 1.804 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.611 -4.748 4.462 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.797 -5.802 3.361 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.039 -7.185 3.980 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.499 -8.123 2.917 1.00 0.00 N ATOM 1149 CZ ARG A 70 -10.488 -9.410 3.130 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.075 -9.879 4.276 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -10.891 -10.230 2.198 1.00 0.00 N ATOM 0 H ARG A 70 -9.168 -2.703 5.842 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.411 -3.495 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.804 -5.044 5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.515 -4.673 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.639 -5.529 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.913 -5.831 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.123 -7.557 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.786 -7.117 4.771 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.823 -7.758 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.761 -9.239 5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.067 -10.885 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.215 -9.865 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.882 -11.236 2.365 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.407 -2.225 3.565 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.597 -1.764 2.795 1.00 0.00 C ATOM 1167 C GLU A 71 -12.220 -0.565 1.916 1.00 0.00 C ATOM 1168 O GLU A 71 -12.536 -0.525 0.743 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.707 -1.353 3.768 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.354 -2.603 4.371 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.558 -2.192 5.221 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.467 -1.176 5.889 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -16.551 -2.901 5.188 1.00 0.00 O ATOM 0 H GLU A 71 -11.385 -1.939 4.544 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.948 -2.577 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.296 -0.727 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.458 -0.758 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.669 -3.281 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.630 -3.142 4.982 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.555 0.412 2.470 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.176 1.605 1.657 1.00 0.00 C ATOM 1182 C HIS A 72 -10.294 1.177 0.476 1.00 0.00 C ATOM 1183 O HIS A 72 -10.381 1.740 -0.598 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.422 2.615 2.539 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.510 3.995 1.938 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -11.716 4.661 1.791 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -9.549 4.845 1.449 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.453 5.858 1.234 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.147 6.021 1.005 1.00 0.00 N ATOM 0 H HIS A 72 -11.258 0.437 3.446 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.080 2.075 1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.845 2.620 3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.378 2.318 2.635 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.490 4.633 1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.206 6.596 1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.687 6.833 0.593 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.452 0.192 0.647 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.592 -0.235 -0.496 1.00 0.00 C ATOM 1199 C VAL A 73 -9.440 -1.015 -1.507 1.00 0.00 C ATOM 1200 O VAL A 73 -9.479 -0.689 -2.677 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.440 -1.120 -0.001 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.676 -1.669 -1.207 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.506 -0.287 0.882 1.00 0.00 C ATOM 0 H VAL A 73 -9.323 -0.329 1.515 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.172 0.651 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.832 -1.952 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.856 -2.299 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.351 -2.259 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.276 -0.841 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.686 -0.912 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.104 0.545 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.062 0.100 1.736 1.00 0.00 H new ATOM 1213 N MET A 74 -10.121 -2.037 -1.070 1.00 0.00 N ATOM 1214 CA MET A 74 -10.965 -2.827 -2.013 1.00 0.00 C ATOM 1215 C MET A 74 -12.005 -1.903 -2.658 1.00 0.00 C ATOM 1216 O MET A 74 -12.535 -2.197 -3.707 1.00 0.00 O ATOM 1217 CB MET A 74 -11.671 -3.965 -1.247 1.00 0.00 C ATOM 1218 CG MET A 74 -10.803 -5.230 -1.266 1.00 0.00 C ATOM 1219 SD MET A 74 -10.823 -5.944 -2.930 1.00 0.00 S ATOM 1220 CE MET A 74 -10.540 -7.667 -2.456 1.00 0.00 C ATOM 0 H MET A 74 -10.131 -2.360 -0.103 1.00 0.00 H new ATOM 0 HA MET A 74 -10.338 -3.261 -2.792 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.859 -3.659 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.640 -4.173 -1.700 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.781 -4.988 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 74 -11.179 -5.954 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.516 -8.291 -3.349 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.588 -7.748 -1.931 1.00 0.00 H new ATOM 0 HE3 MET A 74 -11.345 -8.001 -1.802 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.319 -0.799 -2.037 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.340 0.119 -2.624 1.00 0.00 C ATOM 1232 C LYS A 75 -12.668 1.215 -3.463 1.00 0.00 C ATOM 1233 O LYS A 75 -13.271 1.754 -4.369 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.139 0.775 -1.493 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.394 1.444 -2.073 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.296 1.992 -0.940 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.978 3.457 -0.661 1.00 0.00 C ATOM 1238 NZ LYS A 75 -16.634 3.875 0.611 1.00 0.00 N ATOM 0 H LYS A 75 -11.915 -0.492 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.001 -0.462 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.422 0.027 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.524 1.514 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.104 2.257 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.952 0.724 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.344 1.889 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.149 1.404 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.900 3.599 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.328 4.079 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.417 4.874 0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.664 3.754 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.280 3.289 1.393 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.442 1.578 -3.150 1.00 0.00 N ATOM 1253 CA ASN A 76 -10.762 2.682 -3.916 1.00 0.00 C ATOM 1254 C ASN A 76 -9.679 2.157 -4.877 1.00 0.00 C ATOM 1255 O ASN A 76 -9.195 2.912 -5.698 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.123 3.667 -2.923 1.00 0.00 C ATOM 1257 CG ASN A 76 -11.170 4.106 -1.898 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -10.884 4.193 -0.720 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -12.381 4.390 -2.297 1.00 0.00 N ATOM 0 H ASN A 76 -10.885 1.162 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.523 3.176 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.279 3.196 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.732 4.535 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.085 4.684 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.622 4.317 -3.285 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.264 0.901 -4.795 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.184 0.407 -5.727 1.00 0.00 C ATOM 1268 C VAL A 77 -8.694 -0.730 -6.622 1.00 0.00 C ATOM 1269 O VAL A 77 -8.307 -0.827 -7.766 1.00 0.00 O ATOM 1270 CB VAL A 77 -6.976 -0.070 -4.909 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -5.974 -0.781 -5.830 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.295 1.149 -4.274 1.00 0.00 C ATOM 0 H VAL A 77 -9.620 0.210 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.887 1.233 -6.373 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.309 -0.762 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.118 -1.118 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.455 -1.640 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.636 -0.090 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.435 0.822 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.964 1.830 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.002 1.662 -3.622 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.558 -1.582 -6.147 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.057 -2.664 -7.044 1.00 0.00 C ATOM 1284 C ASP A 78 -10.891 -2.006 -8.140 1.00 0.00 C ATOM 1285 O ASP A 78 -12.029 -1.634 -7.928 1.00 0.00 O ATOM 1286 CB ASP A 78 -10.918 -3.649 -6.253 1.00 0.00 C ATOM 1287 CG ASP A 78 -10.015 -4.569 -5.429 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -9.193 -4.053 -4.690 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -10.161 -5.774 -5.552 1.00 0.00 O ATOM 0 H ASP A 78 -9.934 -1.580 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.222 -3.216 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.599 -3.107 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.532 -4.239 -6.933 1.00 0.00 H new ATOM 1294 N THR A 79 -10.320 -1.811 -9.298 1.00 0.00 N ATOM 1295 CA THR A 79 -11.064 -1.123 -10.388 1.00 0.00 C ATOM 1296 C THR A 79 -12.018 -2.075 -11.118 1.00 0.00 C ATOM 1297 O THR A 79 -13.187 -1.785 -11.273 1.00 0.00 O ATOM 1298 CB THR A 79 -10.064 -0.519 -11.394 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.945 -1.372 -12.523 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.685 -0.318 -10.731 1.00 0.00 C ATOM 0 H THR A 79 -9.371 -2.099 -9.535 1.00 0.00 H new ATOM 0 HA THR A 79 -11.664 -0.334 -9.936 1.00 0.00 H new ATOM 0 HB THR A 79 -10.435 0.454 -11.718 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.213 -0.885 -13.330 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.992 0.109 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.785 0.358 -9.882 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.303 -1.279 -10.387 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.537 -3.196 -11.576 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.428 -4.162 -12.313 1.00 0.00 C ATOM 1310 C ASN A 80 -12.865 -5.278 -11.366 1.00 0.00 C ATOM 1311 O ASN A 80 -13.230 -6.357 -11.787 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.686 -4.760 -13.512 1.00 0.00 C ATOM 1313 CG ASN A 80 -12.681 -5.510 -14.400 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -12.445 -6.643 -14.773 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -13.790 -4.924 -14.756 1.00 0.00 N ATOM 0 H ASN A 80 -10.566 -3.494 -11.477 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.306 -3.628 -12.676 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.196 -3.970 -14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.904 -5.438 -13.169 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.460 -5.416 -15.347 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.988 -3.974 -14.443 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.852 -4.996 -10.094 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.282 -5.984 -9.059 1.00 0.00 C ATOM 1324 C GLN A 81 -12.951 -7.426 -9.466 1.00 0.00 C ATOM 1325 O GLN A 81 -13.630 -8.357 -9.079 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.791 -5.852 -8.822 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.081 -4.588 -8.004 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.746 -4.835 -6.529 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.059 -4.024 -5.681 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.119 -5.928 -6.186 1.00 0.00 N ATOM 0 H GLN A 81 -12.553 -4.097 -9.716 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.734 -5.765 -8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.315 -5.807 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.164 -6.730 -8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.492 -3.754 -8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.130 -4.310 -8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.856 -6.610 -6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.893 -6.100 -5.206 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.907 -7.624 -10.213 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.527 -9.009 -10.603 1.00 0.00 C ATOM 1341 C ASP A 82 -10.768 -9.616 -9.430 1.00 0.00 C ATOM 1342 O ASP A 82 -10.145 -10.653 -9.534 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.621 -8.968 -11.835 1.00 0.00 C ATOM 1344 CG ASP A 82 -11.418 -8.468 -13.040 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -12.628 -8.360 -12.922 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -10.806 -8.203 -14.062 1.00 0.00 O ATOM 0 H ASP A 82 -11.299 -6.888 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.411 -9.600 -10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.770 -8.312 -11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.220 -9.961 -12.038 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.805 -8.929 -8.321 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.079 -9.382 -7.101 1.00 0.00 C ATOM 1353 C ARG A 83 -8.580 -9.344 -7.391 1.00 0.00 C ATOM 1354 O ARG A 83 -7.756 -9.577 -6.529 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.514 -10.795 -6.697 1.00 0.00 C ATOM 1356 CG ARG A 83 -12.050 -10.896 -6.750 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.518 -12.094 -5.918 1.00 0.00 C ATOM 1358 NE ARG A 83 -12.457 -11.747 -4.471 1.00 0.00 N ATOM 1359 CZ ARG A 83 -13.075 -12.492 -3.595 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -13.746 -13.541 -3.986 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -13.021 -12.187 -2.326 1.00 0.00 N ATOM 0 H ARG A 83 -11.319 -8.055 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.314 -8.719 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.068 -11.530 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.159 -11.023 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.498 -9.979 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.381 -11.006 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.536 -12.367 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.889 -12.960 -6.122 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.933 -10.928 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.788 -13.779 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.228 -14.122 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.496 -11.367 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.504 -12.768 -1.641 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.230 -9.023 -8.611 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.801 -8.925 -9.017 1.00 0.00 C ATOM 1377 C LEU A 84 -6.562 -7.479 -9.456 1.00 0.00 C ATOM 1378 O LEU A 84 -7.359 -6.904 -10.172 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.546 -9.893 -10.199 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.859 -11.191 -9.715 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.832 -12.032 -8.876 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.416 -12.003 -10.937 1.00 0.00 C ATOM 0 H LEU A 84 -8.894 -8.820 -9.358 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.130 -9.192 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.491 -10.137 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.921 -9.404 -10.946 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.998 -10.931 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.333 -12.942 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.155 -11.457 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.700 -12.295 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.930 -12.921 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.287 -12.251 -11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.716 -11.415 -11.530 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.487 -6.886 -9.015 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.197 -5.460 -9.381 1.00 0.00 C ATOM 1396 C VAL A 85 -3.972 -5.405 -10.286 1.00 0.00 C ATOM 1397 O VAL A 85 -2.939 -5.960 -9.963 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.906 -4.665 -8.104 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.493 -3.238 -8.480 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.168 -4.617 -7.238 1.00 0.00 C ATOM 0 H VAL A 85 -4.790 -7.326 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.056 -5.036 -9.900 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.100 -5.145 -7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.285 -2.669 -7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.598 -3.270 -9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.302 -2.759 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.964 -4.052 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.972 -4.133 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.468 -5.631 -6.975 1.00 0.00 H new ATOM 1410 N THR A 86 -4.060 -4.729 -11.407 1.00 0.00 N ATOM 1411 CA THR A 86 -2.873 -4.630 -12.314 1.00 0.00 C ATOM 1412 C THR A 86 -2.249 -3.249 -12.154 1.00 0.00 C ATOM 1413 O THR A 86 -2.833 -2.357 -11.574 1.00 0.00 O ATOM 1414 CB THR A 86 -3.298 -4.844 -13.765 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.010 -3.705 -14.225 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.185 -6.085 -13.864 1.00 0.00 C ATOM 0 H THR A 86 -4.897 -4.245 -11.731 1.00 0.00 H new ATOM 0 HA THR A 86 -2.146 -5.399 -12.051 1.00 0.00 H new ATOM 0 HB THR A 86 -2.412 -4.988 -14.384 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.281 -3.843 -15.157 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.487 -6.235 -14.901 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.630 -6.957 -13.518 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.071 -5.949 -13.244 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.071 -3.065 -12.664 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.402 -1.741 -12.549 1.00 0.00 C ATOM 1426 C LEU A 87 -1.213 -0.707 -13.342 1.00 0.00 C ATOM 1427 O LEU A 87 -1.318 0.438 -12.961 1.00 0.00 O ATOM 1428 CB LEU A 87 1.038 -1.885 -13.107 1.00 0.00 C ATOM 1429 CG LEU A 87 1.766 -0.528 -13.309 1.00 0.00 C ATOM 1430 CD1 LEU A 87 1.187 0.265 -14.500 1.00 0.00 C ATOM 1431 CD2 LEU A 87 1.720 0.304 -12.018 1.00 0.00 C ATOM 0 H LEU A 87 -0.536 -3.778 -13.160 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.348 -1.405 -11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.622 -2.503 -12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.998 -2.412 -14.060 1.00 0.00 H new ATOM 0 HG LEU A 87 2.808 -0.744 -13.546 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.725 1.207 -14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.296 -0.319 -15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.131 0.468 -14.323 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.235 1.252 -12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.682 0.496 -11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.210 -0.245 -11.214 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.785 -1.101 -14.441 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.568 -0.141 -15.280 1.00 0.00 C ATOM 1445 C GLU A 88 -3.779 0.449 -14.538 1.00 0.00 C ATOM 1446 O GLU A 88 -3.822 1.631 -14.240 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.069 -0.879 -16.523 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.875 -1.440 -17.300 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.370 -2.123 -18.575 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.365 -1.670 -19.118 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -1.747 -3.089 -18.986 1.00 0.00 O ATOM 0 H GLU A 88 -1.747 -2.054 -14.802 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.907 0.686 -15.538 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.740 -1.688 -16.233 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.642 -0.201 -17.155 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.182 -0.637 -17.551 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.328 -2.152 -16.682 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.786 -0.342 -14.281 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.005 0.202 -13.618 1.00 0.00 C ATOM 1460 C GLU A 89 -5.661 0.806 -12.249 1.00 0.00 C ATOM 1461 O GLU A 89 -6.279 1.756 -11.813 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.057 -0.923 -13.464 1.00 0.00 C ATOM 1463 CG GLU A 89 -6.879 -1.968 -14.574 1.00 0.00 C ATOM 1464 CD GLU A 89 -8.187 -2.739 -14.779 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -9.107 -2.167 -15.340 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -8.245 -3.887 -14.372 1.00 0.00 O ATOM 0 H GLU A 89 -4.817 -1.338 -14.501 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.417 0.997 -14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.954 -1.397 -12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.061 -0.501 -13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.586 -1.478 -15.503 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.077 -2.658 -14.311 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.695 0.266 -11.565 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.341 0.815 -10.226 1.00 0.00 C ATOM 1475 C PHE A 90 -3.947 2.298 -10.355 1.00 0.00 C ATOM 1476 O PHE A 90 -4.458 3.145 -9.649 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.191 -0.018 -9.648 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.401 0.780 -8.624 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.048 1.315 -7.503 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.027 0.990 -8.802 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.322 2.057 -6.562 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.303 1.733 -7.863 1.00 0.00 C ATOM 1483 CZ PHE A 90 -0.951 2.265 -6.742 1.00 0.00 C ATOM 0 H PHE A 90 -4.135 -0.530 -11.872 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.196 0.758 -9.552 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.589 -0.920 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.530 -0.339 -10.453 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.107 1.156 -7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.526 0.578 -9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.821 2.468 -5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.755 1.896 -8.003 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.392 2.836 -6.016 1.00 0.00 H new ATOM 1493 N LEU A 91 -3.053 2.621 -11.251 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.651 4.050 -11.417 1.00 0.00 C ATOM 1495 C LEU A 91 -3.895 4.912 -11.618 1.00 0.00 C ATOM 1496 O LEU A 91 -4.063 5.933 -10.982 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.741 4.198 -12.646 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.379 3.515 -12.390 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.498 3.651 -13.641 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.344 4.162 -11.185 1.00 0.00 C ATOM 0 H LEU A 91 -2.585 1.962 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.116 4.372 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.221 3.753 -13.518 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.590 5.254 -12.870 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.554 2.463 -12.166 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.460 3.170 -13.465 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.003 3.173 -14.486 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.655 4.707 -13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.300 3.664 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.515 5.219 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.273 4.059 -10.292 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.766 4.516 -12.507 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.997 5.324 -12.755 1.00 0.00 C ATOM 1514 C ALA A 92 -6.645 5.718 -11.423 1.00 0.00 C ATOM 1515 O ALA A 92 -7.059 6.845 -11.235 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.987 4.498 -13.579 1.00 0.00 C ATOM 0 H ALA A 92 -4.680 3.671 -13.071 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.728 6.229 -13.300 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.887 5.085 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.531 4.227 -14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.249 3.593 -13.032 1.00 0.00 H new ATOM 1522 N SER A 93 -6.750 4.797 -10.507 1.00 0.00 N ATOM 1523 CA SER A 93 -7.385 5.113 -9.195 1.00 0.00 C ATOM 1524 C SER A 93 -6.579 6.187 -8.461 1.00 0.00 C ATOM 1525 O SER A 93 -7.125 6.979 -7.718 1.00 0.00 O ATOM 1526 CB SER A 93 -7.447 3.846 -8.341 1.00 0.00 C ATOM 1527 OG SER A 93 -8.173 2.844 -9.040 1.00 0.00 O ATOM 0 H SER A 93 -6.423 3.836 -10.609 1.00 0.00 H new ATOM 0 HA SER A 93 -8.394 5.487 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.440 3.493 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.927 4.060 -7.386 1.00 0.00 H new ATOM 0 HG SER A 93 -8.213 2.030 -8.496 1.00 0.00 H new ATOM 1533 N THR A 94 -5.285 6.233 -8.664 1.00 0.00 N ATOM 1534 CA THR A 94 -4.453 7.271 -7.975 1.00 0.00 C ATOM 1535 C THR A 94 -4.258 8.461 -8.916 1.00 0.00 C ATOM 1536 O THR A 94 -4.609 9.579 -8.595 1.00 0.00 O ATOM 1537 CB THR A 94 -3.090 6.683 -7.600 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.359 6.395 -8.784 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.288 5.398 -6.795 1.00 0.00 C ATOM 0 H THR A 94 -4.769 5.599 -9.275 1.00 0.00 H new ATOM 0 HA THR A 94 -4.959 7.598 -7.067 1.00 0.00 H new ATOM 0 HB THR A 94 -2.538 7.403 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.981 6.271 -9.531 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.316 4.982 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.848 5.620 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.841 4.675 -7.394 1.00 0.00 H new