USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 3 HIS : no HE2:sc= 0.946 K(o=0.95,f=-5.4!) USER MOD Single : A 4 SER OG : rot 100:sc= -2.12! USER MOD Single : A 5 SER OG : rot -8:sc= 0.948 USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= 0.689 (180deg=-0.57!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 130:sc= -0.0105 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 22 MET CE :methyl -154:sc= -0.315 (180deg=-1.28!) USER MOD Single : A 23 GLN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 0.753 (180deg=-0.178) USER MOD Single : B 3 HIS : no HE2:sc= 0.364 K(o=0.36,f=-4.9!) USER MOD Single : B 4 SER OG : rot 124:sc= -2.71! USER MOD Single : B 5 SER OG : rot -4:sc= 0.264 USER MOD Single : B 7 LYS NZ :NH3+ -155:sc= 1.2 (180deg=1.05) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 12 SER OG : rot 120:sc= -0.0942 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : B 22 MET CE :methyl -154:sc= -0.488 (180deg=-1.3!) USER MOD Single : B 23 GLN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ -161:sc= 1.1 (180deg=0.92) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.923 -9.136 6.230 1.00 0.00 N ATOM 280 CA ILE A 2 -4.340 -9.406 6.230 1.00 0.00 C ATOM 281 C ILE A 2 -4.845 -9.645 4.800 1.00 0.00 C ATOM 282 O ILE A 2 -4.732 -8.776 3.944 1.00 0.00 O ATOM 283 CB ILE A 2 -5.099 -8.227 6.889 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.516 -7.974 8.292 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.599 -8.530 6.972 1.00 0.00 C ATOM 286 CD1 ILE A 2 -5.072 -6.768 9.004 1.00 0.00 C ATOM 0 HA ILE A 2 -4.527 -10.311 6.808 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.975 -7.331 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.695 -8.855 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.435 -7.860 8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.115 -7.690 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.994 -8.687 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.756 -9.428 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.601 -6.674 9.982 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.870 -5.873 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.149 -6.884 9.130 1.00 0.00 H new ATOM 298 N HIS A 3 -5.363 -10.833 4.552 1.00 0.00 N ATOM 299 CA HIS A 3 -5.895 -11.195 3.241 1.00 0.00 C ATOM 300 C HIS A 3 -7.365 -10.793 3.116 1.00 0.00 C ATOM 301 O HIS A 3 -8.247 -11.383 3.752 1.00 0.00 O ATOM 302 CB HIS A 3 -5.717 -12.698 2.953 1.00 0.00 C ATOM 303 CG HIS A 3 -4.306 -13.129 2.601 1.00 0.00 C ATOM 304 ND1 HIS A 3 -3.998 -13.884 1.487 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.128 -12.940 3.252 1.00 0.00 C ATOM 306 CE1 HIS A 3 -2.694 -14.125 1.487 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.106 -13.576 2.541 1.00 0.00 N ATOM 0 H HIS A 3 -5.429 -11.576 5.248 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.324 -10.643 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.043 -13.260 3.828 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.379 -12.975 2.132 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -4.662 -14.203 0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.002 -12.387 4.171 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.178 -14.694 0.728 1.00 0.00 H new ATOM 315 N SER A 4 -7.610 -9.794 2.313 1.00 0.00 N ATOM 316 CA SER A 4 -8.935 -9.240 2.100 1.00 0.00 C ATOM 317 C SER A 4 -9.442 -9.648 0.716 1.00 0.00 C ATOM 318 O SER A 4 -9.056 -10.679 0.192 1.00 0.00 O ATOM 319 CB SER A 4 -8.807 -7.731 2.144 1.00 0.00 C ATOM 320 OG SER A 4 -7.974 -7.290 1.092 1.00 0.00 O ATOM 0 H SER A 4 -6.883 -9.326 1.772 1.00 0.00 H new ATOM 0 HA SER A 4 -9.628 -9.602 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.791 -7.271 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.393 -7.420 3.103 1.00 0.00 H new ATOM 0 HG SER A 4 -8.527 -6.960 0.353 1.00 0.00 H new ATOM 326 N SER A 5 -10.308 -8.840 0.148 1.00 0.00 N ATOM 327 CA SER A 5 -10.818 -9.010 -1.193 1.00 0.00 C ATOM 328 C SER A 5 -11.375 -7.687 -1.657 1.00 0.00 C ATOM 329 O SER A 5 -12.116 -7.035 -0.921 1.00 0.00 O ATOM 330 CB SER A 5 -11.921 -10.072 -1.257 1.00 0.00 C ATOM 331 OG SER A 5 -11.453 -11.347 -0.829 1.00 0.00 O ATOM 0 H SER A 5 -10.689 -8.021 0.622 1.00 0.00 H new ATOM 0 HA SER A 5 -10.003 -9.344 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.759 -9.764 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.295 -10.146 -2.278 1.00 0.00 H new ATOM 0 HG SER A 5 -10.482 -11.312 -0.698 1.00 0.00 H new ATOM 337 N VAL A 6 -10.999 -7.271 -2.830 1.00 0.00 N ATOM 338 CA VAL A 6 -11.523 -6.042 -3.395 1.00 0.00 C ATOM 339 C VAL A 6 -12.957 -6.276 -3.786 1.00 0.00 C ATOM 340 O VAL A 6 -13.231 -7.035 -4.697 1.00 0.00 O ATOM 341 CB VAL A 6 -10.724 -5.595 -4.637 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.274 -4.290 -5.199 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.279 -5.433 -4.276 1.00 0.00 C ATOM 0 H VAL A 6 -10.329 -7.760 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.441 -5.253 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.821 -6.361 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.693 -3.997 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.317 -4.428 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.206 -3.510 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.717 -5.117 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.182 -4.680 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.885 -6.383 -3.916 1.00 0.00 H new ATOM 353 N LYS A 7 -13.855 -5.683 -3.092 1.00 0.00 N ATOM 354 CA LYS A 7 -15.232 -5.880 -3.372 1.00 0.00 C ATOM 355 C LYS A 7 -15.773 -4.657 -4.071 1.00 0.00 C ATOM 356 O LYS A 7 -15.107 -3.629 -4.118 1.00 0.00 O ATOM 357 CB LYS A 7 -15.991 -6.172 -2.094 1.00 0.00 C ATOM 358 CG LYS A 7 -15.706 -7.515 -1.445 1.00 0.00 C ATOM 359 CD LYS A 7 -16.303 -8.630 -2.271 1.00 0.00 C ATOM 360 CE LYS A 7 -16.306 -9.952 -1.526 1.00 0.00 C ATOM 361 NZ LYS A 7 -17.046 -10.991 -2.273 1.00 0.00 N ATOM 0 H LYS A 7 -13.661 -5.049 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.358 -6.740 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.765 -5.387 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.058 -6.112 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.630 -7.660 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.122 -7.536 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.324 -8.368 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.738 -8.737 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.280 -10.281 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.758 -9.817 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.652 -11.927 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.050 -10.964 -2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.957 -10.814 -3.294 1.00 0.00 H new ATOM 375 N ARG A 8 -16.938 -4.757 -4.623 1.00 0.00 N ATOM 376 CA ARG A 8 -17.510 -3.657 -5.338 1.00 0.00 C ATOM 377 C ARG A 8 -18.546 -2.936 -4.489 1.00 0.00 C ATOM 378 O ARG A 8 -19.550 -3.519 -4.070 1.00 0.00 O ATOM 379 CB ARG A 8 -18.114 -4.121 -6.640 1.00 0.00 C ATOM 380 CG ARG A 8 -18.629 -2.996 -7.495 1.00 0.00 C ATOM 381 CD ARG A 8 -19.061 -3.511 -8.825 1.00 0.00 C ATOM 382 NE ARG A 8 -17.924 -3.769 -9.716 1.00 0.00 N ATOM 383 CZ ARG A 8 -17.896 -4.681 -10.700 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.917 -5.513 -10.878 1.00 0.00 N ATOM 385 NH2 ARG A 8 -16.837 -4.753 -11.505 1.00 0.00 N ATOM 0 H ARG A 8 -17.518 -5.595 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.711 -2.951 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.365 -4.680 -7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.932 -4.809 -6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.466 -2.507 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.851 -2.243 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.630 -4.431 -8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.730 -2.789 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.084 -3.208 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.730 -5.461 -10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.888 -6.203 -11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.051 -4.116 -11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.812 -5.445 -12.254 1.00 0.00 H new ATOM 399 N TRP A 9 -18.277 -1.696 -4.226 1.00 0.00 N ATOM 400 CA TRP A 9 -19.138 -0.825 -3.471 1.00 0.00 C ATOM 401 C TRP A 9 -19.788 0.113 -4.471 1.00 0.00 C ATOM 402 O TRP A 9 -19.163 1.083 -4.918 1.00 0.00 O ATOM 403 CB TRP A 9 -18.270 -0.048 -2.457 1.00 0.00 C ATOM 404 CG TRP A 9 -18.978 0.884 -1.533 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.299 0.914 -1.271 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.392 1.925 -0.715 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.567 1.848 -0.337 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.448 2.497 0.002 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.090 2.434 -0.503 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.280 3.520 0.892 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.935 3.457 0.387 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.037 3.990 1.070 1.00 0.00 C ATOM 0 H TRP A 9 -17.421 -1.240 -4.541 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.906 -1.366 -2.918 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.724 -0.773 -1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.529 0.525 -3.015 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.037 0.281 -1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.490 2.033 0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.241 2.024 -1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.118 3.935 1.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.950 3.861 0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.880 4.805 1.761 1.00 0.00 H new ATOM 423 N GLY A 10 -20.988 -0.225 -4.901 1.00 0.00 N ATOM 424 CA GLY A 10 -21.648 0.555 -5.909 1.00 0.00 C ATOM 425 C GLY A 10 -20.988 0.273 -7.229 1.00 0.00 C ATOM 426 O GLY A 10 -20.934 -0.878 -7.654 1.00 0.00 O ATOM 0 H GLY A 10 -21.516 -1.030 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.707 0.302 -5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.583 1.617 -5.671 1.00 0.00 H new ATOM 430 N ASN A 11 -20.474 1.276 -7.874 1.00 0.00 N ATOM 431 CA ASN A 11 -19.698 1.055 -9.095 1.00 0.00 C ATOM 432 C ASN A 11 -18.202 1.303 -8.835 1.00 0.00 C ATOM 433 O ASN A 11 -17.420 1.500 -9.764 1.00 0.00 O ATOM 434 CB ASN A 11 -20.212 1.934 -10.267 1.00 0.00 C ATOM 435 CG ASN A 11 -20.082 3.435 -10.040 1.00 0.00 C ATOM 436 OD1 ASN A 11 -19.074 4.057 -10.388 1.00 0.00 O ATOM 437 ND2 ASN A 11 -21.105 4.035 -9.493 1.00 0.00 N ATOM 0 H ASN A 11 -20.566 2.252 -7.594 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.830 0.014 -9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.664 1.668 -11.171 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -21.260 1.697 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -21.084 5.044 -9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.925 3.495 -9.216 1.00 0.00 H new ATOM 444 N SER A 12 -17.784 1.157 -7.584 1.00 0.00 N ATOM 445 CA SER A 12 -16.474 1.487 -7.193 1.00 0.00 C ATOM 446 C SER A 12 -15.877 0.312 -6.440 1.00 0.00 C ATOM 447 O SER A 12 -16.494 -0.218 -5.532 1.00 0.00 O ATOM 448 CB SER A 12 -16.512 2.731 -6.280 1.00 0.00 C ATOM 449 OG SER A 12 -15.221 3.124 -5.839 1.00 0.00 O ATOM 0 H SER A 12 -18.370 0.802 -6.828 1.00 0.00 H new ATOM 0 HA SER A 12 -15.865 1.707 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.975 3.558 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.140 2.522 -5.414 1.00 0.00 H new ATOM 0 HG SER A 12 -15.097 4.082 -6.002 1.00 0.00 H new ATOM 455 N PRO A 13 -14.714 -0.142 -6.844 1.00 0.00 N ATOM 456 CA PRO A 13 -13.980 -1.156 -6.105 1.00 0.00 C ATOM 457 C PRO A 13 -13.547 -0.588 -4.750 1.00 0.00 C ATOM 458 O PRO A 13 -13.040 0.548 -4.674 1.00 0.00 O ATOM 459 CB PRO A 13 -12.749 -1.451 -6.962 1.00 0.00 C ATOM 460 CG PRO A 13 -12.898 -0.667 -8.227 1.00 0.00 C ATOM 461 CD PRO A 13 -14.040 0.288 -8.056 1.00 0.00 C ATOM 0 HA PRO A 13 -14.575 -2.050 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.837 -1.167 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.675 -2.517 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.979 -0.124 -8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.084 -1.335 -9.068 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.685 1.315 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.712 0.256 -8.913 1.00 0.00 H new ATOM 469 N ALA A 14 -13.777 -1.330 -3.699 1.00 0.00 N ATOM 470 CA ALA A 14 -13.457 -0.892 -2.382 1.00 0.00 C ATOM 471 C ALA A 14 -12.718 -1.974 -1.610 1.00 0.00 C ATOM 472 O ALA A 14 -13.019 -3.175 -1.739 1.00 0.00 O ATOM 473 CB ALA A 14 -14.722 -0.491 -1.657 1.00 0.00 C ATOM 0 H ALA A 14 -14.194 -2.260 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.797 -0.027 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.474 -0.156 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.210 0.319 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.395 -1.346 -1.600 1.00 0.00 H new ATOM 479 N VAL A 15 -11.744 -1.555 -0.843 1.00 0.00 N ATOM 480 CA VAL A 15 -10.975 -2.439 0.006 1.00 0.00 C ATOM 481 C VAL A 15 -11.329 -2.142 1.450 1.00 0.00 C ATOM 482 O VAL A 15 -11.359 -0.973 1.850 1.00 0.00 O ATOM 483 CB VAL A 15 -9.436 -2.258 -0.201 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.636 -3.143 0.757 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.057 -2.590 -1.627 1.00 0.00 C ATOM 0 H VAL A 15 -11.456 -0.578 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.220 -3.469 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.195 -1.216 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.570 -2.993 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.880 -2.879 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.888 -4.189 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.983 -2.460 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.326 -3.624 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.588 -1.926 -2.309 1.00 0.00 H new ATOM 495 N ARG A 16 -11.634 -3.171 2.203 1.00 0.00 N ATOM 496 CA ARG A 16 -11.978 -3.024 3.596 1.00 0.00 C ATOM 497 C ARG A 16 -10.741 -2.849 4.454 1.00 0.00 C ATOM 498 O ARG A 16 -9.788 -3.629 4.360 1.00 0.00 O ATOM 499 CB ARG A 16 -12.744 -4.233 4.080 1.00 0.00 C ATOM 500 CG ARG A 16 -14.135 -4.366 3.550 1.00 0.00 C ATOM 501 CD ARG A 16 -14.767 -5.611 4.113 1.00 0.00 C ATOM 502 NE ARG A 16 -16.136 -5.809 3.656 1.00 0.00 N ATOM 503 CZ ARG A 16 -16.720 -6.995 3.480 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.026 -8.133 3.654 1.00 0.00 N ATOM 505 NH2 ARG A 16 -17.992 -7.048 3.111 1.00 0.00 N ATOM 0 H ARG A 16 -11.651 -4.134 1.867 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.599 -2.133 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.184 -5.128 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.790 -4.201 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.725 -3.491 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.118 -4.414 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.167 -6.476 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.757 -5.557 5.202 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.690 -4.977 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.043 -8.095 3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.482 -9.035 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.517 -6.186 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.446 -7.951 2.974 1.00 0.00 H new ATOM 519 N ILE A 17 -10.758 -1.838 5.274 1.00 0.00 N ATOM 520 CA ILE A 17 -9.685 -1.591 6.203 1.00 0.00 C ATOM 521 C ILE A 17 -10.150 -2.063 7.578 1.00 0.00 C ATOM 522 O ILE A 17 -11.249 -1.706 8.008 1.00 0.00 O ATOM 523 CB ILE A 17 -9.316 -0.072 6.288 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.953 0.494 4.910 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.177 0.175 7.280 1.00 0.00 C ATOM 526 CD1 ILE A 17 -7.778 -0.175 4.217 1.00 0.00 C ATOM 0 H ILE A 17 -11.517 -1.158 5.320 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.797 -2.125 5.864 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.201 0.450 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.827 0.416 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.731 1.556 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.948 1.240 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.479 -0.162 8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.292 -0.377 6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.606 0.301 3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.886 -0.075 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.998 -1.232 4.067 1.00 0.00 H new ATOM 538 N PRO A 18 -9.366 -2.908 8.266 1.00 0.00 N ATOM 539 CA PRO A 18 -9.710 -3.359 9.607 1.00 0.00 C ATOM 540 C PRO A 18 -9.761 -2.185 10.575 1.00 0.00 C ATOM 541 O PRO A 18 -8.880 -1.299 10.551 1.00 0.00 O ATOM 542 CB PRO A 18 -8.564 -4.303 9.998 1.00 0.00 C ATOM 543 CG PRO A 18 -7.896 -4.652 8.715 1.00 0.00 C ATOM 544 CD PRO A 18 -8.110 -3.497 7.787 1.00 0.00 C ATOM 0 HA PRO A 18 -10.688 -3.839 9.638 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.870 -3.818 10.685 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.941 -5.193 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.832 -4.832 8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.316 -5.567 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.287 -2.784 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.188 -3.823 6.750 1.00 0.00 H new ATOM 552 N ALA A 19 -10.755 -2.192 11.444 1.00 0.00 N ATOM 553 CA ALA A 19 -10.945 -1.134 12.420 1.00 0.00 C ATOM 554 C ALA A 19 -9.766 -1.089 13.380 1.00 0.00 C ATOM 555 O ALA A 19 -9.436 -0.042 13.925 1.00 0.00 O ATOM 556 CB ALA A 19 -12.252 -1.325 13.170 1.00 0.00 C ATOM 0 H ALA A 19 -11.455 -2.933 11.493 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.998 -0.180 11.896 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.375 -0.522 13.897 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.082 -1.307 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.237 -2.284 13.688 1.00 0.00 H new ATOM 562 N THR A 20 -9.134 -2.232 13.560 1.00 0.00 N ATOM 563 CA THR A 20 -7.943 -2.368 14.356 1.00 0.00 C ATOM 564 C THR A 20 -6.822 -1.455 13.791 1.00 0.00 C ATOM 565 O THR A 20 -6.167 -0.739 14.525 1.00 0.00 O ATOM 566 CB THR A 20 -7.496 -3.834 14.300 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.645 -4.659 14.531 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.452 -4.135 15.361 1.00 0.00 C ATOM 0 H THR A 20 -9.447 -3.109 13.144 1.00 0.00 H new ATOM 0 HA THR A 20 -8.144 -2.073 15.386 1.00 0.00 H new ATOM 0 HB THR A 20 -7.054 -4.032 13.324 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.382 -5.603 14.498 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.157 -5.182 15.294 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.579 -3.501 15.203 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.870 -3.938 16.348 1.00 0.00 H new ATOM 576 N LEU A 21 -6.682 -1.442 12.469 1.00 0.00 N ATOM 577 CA LEU A 21 -5.651 -0.645 11.797 1.00 0.00 C ATOM 578 C LEU A 21 -6.002 0.794 11.780 1.00 0.00 C ATOM 579 O LEU A 21 -5.137 1.649 11.905 1.00 0.00 O ATOM 580 CB LEU A 21 -5.401 -1.143 10.388 1.00 0.00 C ATOM 581 CG LEU A 21 -4.366 -2.240 10.246 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.970 -1.675 10.485 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.631 -3.370 11.219 1.00 0.00 C ATOM 0 H LEU A 21 -7.273 -1.978 11.834 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.731 -0.763 12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.344 -1.505 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.092 -0.297 9.774 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.431 -2.636 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.233 -2.471 10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.764 -0.892 9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.914 -1.258 11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.873 -4.143 11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.595 -2.988 12.239 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.616 -3.794 11.025 1.00 0.00 H new ATOM 595 N MET A 22 -7.265 1.048 11.616 1.00 0.00 N ATOM 596 CA MET A 22 -7.817 2.407 11.695 1.00 0.00 C ATOM 597 C MET A 22 -7.370 3.058 12.982 1.00 0.00 C ATOM 598 O MET A 22 -6.774 4.133 12.984 1.00 0.00 O ATOM 599 CB MET A 22 -9.339 2.357 11.652 1.00 0.00 C ATOM 600 CG MET A 22 -9.928 1.855 10.351 1.00 0.00 C ATOM 601 SD MET A 22 -9.839 3.049 9.026 1.00 0.00 S ATOM 602 CE MET A 22 -10.865 4.346 9.713 1.00 0.00 C ATOM 0 H MET A 22 -7.962 0.329 11.422 1.00 0.00 H new ATOM 0 HA MET A 22 -7.456 2.988 10.846 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.689 1.717 12.462 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.726 3.358 11.846 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.404 0.948 10.049 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.970 1.581 10.514 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.298 4.934 8.904 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.664 3.902 10.306 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.258 4.992 10.347 1.00 0.00 H new ATOM 612 N GLN A 23 -7.612 2.362 14.051 1.00 0.00 N ATOM 613 CA GLN A 23 -7.229 2.790 15.377 1.00 0.00 C ATOM 614 C GLN A 23 -5.731 2.769 15.558 1.00 0.00 C ATOM 615 O GLN A 23 -5.181 3.598 16.269 1.00 0.00 O ATOM 616 CB GLN A 23 -7.858 1.888 16.399 1.00 0.00 C ATOM 617 CG GLN A 23 -9.349 1.925 16.356 1.00 0.00 C ATOM 618 CD GLN A 23 -9.977 0.950 17.308 1.00 0.00 C ATOM 619 OE1 GLN A 23 -10.263 1.269 18.460 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.188 -0.248 16.841 1.00 0.00 N ATOM 0 H GLN A 23 -8.091 1.461 14.034 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.576 3.815 15.509 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.519 0.865 16.234 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.519 2.180 17.393 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.691 2.932 16.595 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.685 1.706 15.343 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.936 -0.472 15.878 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.605 -0.962 17.438 1.00 0.00 H new ATOM 629 N ALA A 24 -5.068 1.853 14.883 1.00 0.00 N ATOM 630 CA ALA A 24 -3.617 1.693 15.055 1.00 0.00 C ATOM 631 C ALA A 24 -2.883 2.870 14.459 1.00 0.00 C ATOM 632 O ALA A 24 -1.893 3.354 15.001 1.00 0.00 O ATOM 633 CB ALA A 24 -3.126 0.391 14.439 1.00 0.00 C ATOM 0 H ALA A 24 -5.493 1.210 14.215 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.409 1.655 16.124 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.049 0.303 14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.626 -0.450 14.919 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.351 0.386 13.372 1.00 0.00 H new ATOM 639 N LEU A 25 -3.403 3.343 13.366 1.00 0.00 N ATOM 640 CA LEU A 25 -2.833 4.455 12.652 1.00 0.00 C ATOM 641 C LEU A 25 -3.496 5.758 13.074 1.00 0.00 C ATOM 642 O LEU A 25 -3.114 6.837 12.629 1.00 0.00 O ATOM 643 CB LEU A 25 -3.005 4.206 11.177 1.00 0.00 C ATOM 644 CG LEU A 25 -2.263 2.981 10.651 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.733 2.653 9.273 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.757 3.219 10.650 1.00 0.00 C ATOM 0 H LEU A 25 -4.247 2.965 12.936 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.772 4.547 12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.067 4.091 10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.662 5.085 10.631 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.475 2.139 11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.198 1.777 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.802 2.443 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.542 3.499 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.249 2.332 10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.524 4.071 10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.420 3.424 11.666 1.00 0.00 H new ATOM 658 N ASN A 26 -4.508 5.621 13.933 1.00 0.00 N ATOM 659 CA ASN A 26 -5.278 6.737 14.517 1.00 0.00 C ATOM 660 C ASN A 26 -5.974 7.581 13.468 1.00 0.00 C ATOM 661 O ASN A 26 -6.245 8.776 13.675 1.00 0.00 O ATOM 662 CB ASN A 26 -4.418 7.599 15.460 1.00 0.00 C ATOM 663 CG ASN A 26 -4.020 6.849 16.717 1.00 0.00 C ATOM 664 OD1 ASN A 26 -4.745 6.851 17.720 1.00 0.00 O ATOM 665 ND2 ASN A 26 -2.873 6.220 16.692 1.00 0.00 N ATOM 0 H ASN A 26 -4.829 4.708 14.255 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.064 6.281 15.119 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.521 7.926 14.934 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.971 8.497 15.734 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.552 5.711 17.516 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.300 6.238 15.849 1.00 0.00 H new ATOM 672 N LEU A 27 -6.330 6.955 12.375 1.00 0.00 N ATOM 673 CA LEU A 27 -7.011 7.616 11.331 1.00 0.00 C ATOM 674 C LEU A 27 -8.487 7.278 11.425 1.00 0.00 C ATOM 675 O LEU A 27 -8.871 6.245 12.010 1.00 0.00 O ATOM 676 CB LEU A 27 -6.392 7.250 9.971 1.00 0.00 C ATOM 677 CG LEU A 27 -6.554 5.818 9.444 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.742 5.733 8.515 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.304 5.367 8.723 1.00 0.00 C ATOM 0 H LEU A 27 -6.147 5.967 12.199 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.909 8.697 11.427 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.812 7.925 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.324 7.462 10.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.720 5.159 10.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.845 4.712 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.646 6.018 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.594 6.408 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.442 4.349 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.110 6.031 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.458 5.395 9.410 1.00 0.00 H new ATOM 691 N ASN A 28 -9.311 8.126 10.892 1.00 0.00 N ATOM 692 CA ASN A 28 -10.744 7.939 10.981 1.00 0.00 C ATOM 693 C ASN A 28 -11.369 8.020 9.618 1.00 0.00 C ATOM 694 O ASN A 28 -10.673 8.179 8.621 1.00 0.00 O ATOM 695 CB ASN A 28 -11.399 8.969 11.925 1.00 0.00 C ATOM 696 CG ASN A 28 -11.005 8.800 13.382 1.00 0.00 C ATOM 697 OD1 ASN A 28 -11.632 8.032 14.118 1.00 0.00 O ATOM 698 ND2 ASN A 28 -10.011 9.528 13.820 1.00 0.00 N ATOM 0 H ASN A 28 -9.023 8.963 10.385 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.918 6.947 11.398 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.126 9.973 11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.483 8.889 11.839 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.731 9.472 14.799 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.516 10.152 13.182 1.00 0.00 H new ATOM 705 N ILE A 29 -12.677 7.902 9.569 1.00 0.00 N ATOM 706 CA ILE A 29 -13.408 7.994 8.326 1.00 0.00 C ATOM 707 C ILE A 29 -13.284 9.428 7.795 1.00 0.00 C ATOM 708 O ILE A 29 -13.243 10.380 8.586 1.00 0.00 O ATOM 709 CB ILE A 29 -14.910 7.571 8.524 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.011 6.101 8.995 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.749 7.774 7.262 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.416 5.085 8.033 1.00 0.00 C ATOM 0 H ILE A 29 -13.263 7.740 10.388 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.987 7.305 7.594 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.316 8.225 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.509 6.007 9.958 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.061 5.857 9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.777 7.466 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.732 8.827 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.337 7.174 6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.532 4.083 8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.932 5.145 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.357 5.298 7.888 1.00 0.00 H new ATOM 724 N ASP A 30 -13.164 9.549 6.477 1.00 0.00 N ATOM 725 CA ASP A 30 -12.969 10.818 5.747 1.00 0.00 C ATOM 726 C ASP A 30 -11.554 11.290 5.800 1.00 0.00 C ATOM 727 O ASP A 30 -11.254 12.460 5.500 1.00 0.00 O ATOM 728 CB ASP A 30 -13.940 11.928 6.143 1.00 0.00 C ATOM 729 CG ASP A 30 -15.271 11.777 5.494 1.00 0.00 C ATOM 730 OD1 ASP A 30 -16.129 11.062 6.027 1.00 0.00 O ATOM 731 OD2 ASP A 30 -15.484 12.381 4.423 1.00 0.00 O ATOM 0 H ASP A 30 -13.200 8.741 5.855 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.206 10.576 4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.065 11.928 7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.514 12.894 5.871 1.00 0.00 H new ATOM 736 N ASP A 31 -10.667 10.387 6.142 1.00 0.00 N ATOM 737 CA ASP A 31 -9.273 10.699 6.145 1.00 0.00 C ATOM 738 C ASP A 31 -8.761 10.479 4.760 1.00 0.00 C ATOM 739 O ASP A 31 -8.972 9.405 4.174 1.00 0.00 O ATOM 740 CB ASP A 31 -8.491 9.840 7.123 1.00 0.00 C ATOM 741 CG ASP A 31 -7.101 10.390 7.357 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.986 11.418 8.075 1.00 0.00 O ATOM 743 OD2 ASP A 31 -6.129 9.829 6.884 1.00 0.00 O ATOM 0 H ASP A 31 -10.894 9.432 6.421 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.142 11.734 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.027 9.787 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.421 8.822 6.739 1.00 0.00 H new ATOM 748 N GLU A 32 -8.191 11.498 4.216 1.00 0.00 N ATOM 749 CA GLU A 32 -7.640 11.477 2.909 1.00 0.00 C ATOM 750 C GLU A 32 -6.356 10.681 2.922 1.00 0.00 C ATOM 751 O GLU A 32 -5.529 10.868 3.809 1.00 0.00 O ATOM 752 CB GLU A 32 -7.420 12.926 2.449 1.00 0.00 C ATOM 753 CG GLU A 32 -6.710 13.066 1.125 1.00 0.00 C ATOM 754 CD GLU A 32 -6.582 14.494 0.686 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.559 15.050 0.151 1.00 0.00 O ATOM 756 OE2 GLU A 32 -5.493 15.085 0.829 1.00 0.00 O ATOM 0 H GLU A 32 -8.093 12.398 4.686 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.317 10.995 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.388 13.422 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.845 13.452 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.717 12.623 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.252 12.504 0.365 1.00 0.00 H new ATOM 763 N VAL A 33 -6.205 9.754 1.981 1.00 0.00 N ATOM 764 CA VAL A 33 -4.996 8.958 1.942 1.00 0.00 C ATOM 765 C VAL A 33 -4.396 8.976 0.579 1.00 0.00 C ATOM 766 O VAL A 33 -5.087 9.228 -0.417 1.00 0.00 O ATOM 767 CB VAL A 33 -5.169 7.464 2.425 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.148 7.373 3.531 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.543 6.492 1.313 1.00 0.00 C ATOM 0 H VAL A 33 -6.889 9.543 1.255 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.328 9.432 2.661 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.185 7.160 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.248 6.334 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.803 7.974 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.115 7.744 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.643 5.488 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.489 6.797 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.764 6.495 0.550 1.00 0.00 H new ATOM 779 N LYS A 34 -3.130 8.739 0.542 1.00 0.00 N ATOM 780 CA LYS A 34 -2.420 8.625 -0.708 1.00 0.00 C ATOM 781 C LYS A 34 -2.365 7.174 -1.148 1.00 0.00 C ATOM 782 O LYS A 34 -1.900 6.314 -0.392 1.00 0.00 O ATOM 783 CB LYS A 34 -0.968 9.106 -0.599 1.00 0.00 C ATOM 784 CG LYS A 34 -0.753 10.562 -0.246 1.00 0.00 C ATOM 785 CD LYS A 34 0.739 10.867 -0.276 1.00 0.00 C ATOM 786 CE LYS A 34 1.063 12.298 0.109 1.00 0.00 C ATOM 787 NZ LYS A 34 2.520 12.566 0.007 1.00 0.00 N ATOM 0 H LYS A 34 -2.548 8.617 1.371 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.961 9.246 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.465 8.497 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.474 8.911 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.282 11.202 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.160 10.773 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.256 10.189 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.124 10.671 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.518 12.984 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.726 12.488 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.711 13.552 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.036 11.927 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.835 12.407 -0.971 1.00 0.00 H new ATOM 801 N ILE A 35 -2.880 6.899 -2.319 1.00 0.00 N ATOM 802 CA ILE A 35 -2.639 5.634 -2.963 1.00 0.00 C ATOM 803 C ILE A 35 -1.527 5.925 -3.923 1.00 0.00 C ATOM 804 O ILE A 35 -1.769 6.467 -5.004 1.00 0.00 O ATOM 805 CB ILE A 35 -3.849 5.028 -3.785 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.104 4.772 -2.937 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.430 3.727 -4.455 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.864 6.001 -2.555 1.00 0.00 C ATOM 0 H ILE A 35 -3.472 7.539 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.435 4.889 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.111 5.781 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.769 4.108 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.810 4.246 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.271 3.320 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.598 3.918 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.120 3.010 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.732 5.721 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.221 6.660 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.194 6.519 -3.455 1.00 0.00 H new ATOM 820 N ASP A 36 -0.329 5.668 -3.508 1.00 0.00 N ATOM 821 CA ASP A 36 0.827 6.010 -4.302 1.00 0.00 C ATOM 822 C ASP A 36 1.488 4.761 -4.817 1.00 0.00 C ATOM 823 O ASP A 36 1.585 3.767 -4.112 1.00 0.00 O ATOM 824 CB ASP A 36 1.789 6.900 -3.493 1.00 0.00 C ATOM 825 CG ASP A 36 3.027 7.319 -4.259 1.00 0.00 C ATOM 826 OD1 ASP A 36 2.970 8.277 -5.061 1.00 0.00 O ATOM 827 OD2 ASP A 36 4.083 6.725 -4.067 1.00 0.00 O ATOM 0 H ASP A 36 -0.115 5.219 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 36 0.515 6.590 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.255 7.793 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.094 6.365 -2.593 1.00 0.00 H new ATOM 832 N LEU A 37 1.864 4.774 -6.062 1.00 0.00 N ATOM 833 CA LEU A 37 2.438 3.677 -6.682 1.00 0.00 C ATOM 834 C LEU A 37 3.943 3.791 -6.571 1.00 0.00 C ATOM 835 O LEU A 37 4.529 4.836 -6.860 1.00 0.00 O ATOM 836 CB LEU A 37 1.968 3.672 -8.144 1.00 0.00 C ATOM 837 CG LEU A 37 2.217 2.430 -9.000 1.00 0.00 C ATOM 838 CD1 LEU A 37 3.673 2.281 -9.349 1.00 0.00 C ATOM 839 CD2 LEU A 37 1.687 1.202 -8.308 1.00 0.00 C ATOM 0 H LEU A 37 1.765 5.587 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 37 2.141 2.739 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.895 3.862 -8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.442 4.517 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 37 1.677 2.552 -9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.812 1.388 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.005 3.156 -9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.259 2.191 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.872 0.326 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.190 1.079 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.615 1.311 -8.144 1.00 0.00 H new ATOM 851 N VAL A 38 4.531 2.727 -6.160 1.00 0.00 N ATOM 852 CA VAL A 38 5.985 2.593 -6.012 1.00 0.00 C ATOM 853 C VAL A 38 6.338 1.131 -6.212 1.00 0.00 C ATOM 854 O VAL A 38 5.775 0.286 -5.531 1.00 0.00 O ATOM 855 CB VAL A 38 6.515 2.996 -4.578 1.00 0.00 C ATOM 856 CG1 VAL A 38 8.024 2.798 -4.477 1.00 0.00 C ATOM 857 CG2 VAL A 38 6.180 4.424 -4.215 1.00 0.00 C ATOM 0 H VAL A 38 4.021 1.882 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 38 6.443 3.261 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 38 6.007 2.338 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.362 3.083 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.266 1.751 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.523 3.419 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.567 4.647 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.633 5.100 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.098 4.557 -4.221 1.00 0.00 H new ATOM 867 N ASP A 39 7.215 0.824 -7.178 1.00 0.00 N ATOM 868 CA ASP A 39 7.720 -0.568 -7.393 1.00 0.00 C ATOM 869 C ASP A 39 6.587 -1.496 -7.877 1.00 0.00 C ATOM 870 O ASP A 39 6.662 -2.722 -7.807 1.00 0.00 O ATOM 871 CB ASP A 39 8.399 -1.084 -6.082 1.00 0.00 C ATOM 872 CG ASP A 39 8.939 -2.502 -6.137 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.834 -2.784 -6.955 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.481 -3.356 -5.342 1.00 0.00 O ATOM 0 H ASP A 39 7.598 1.509 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 39 8.473 -0.566 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.219 -0.412 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.674 -1.021 -5.270 1.00 0.00 H new ATOM 879 N GLY A 40 5.564 -0.884 -8.436 1.00 0.00 N ATOM 880 CA GLY A 40 4.393 -1.618 -8.891 1.00 0.00 C ATOM 881 C GLY A 40 3.559 -2.114 -7.725 1.00 0.00 C ATOM 882 O GLY A 40 2.652 -2.928 -7.889 1.00 0.00 O ATOM 0 H GLY A 40 5.516 0.123 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.784 -0.976 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.708 -2.465 -9.501 1.00 0.00 H new ATOM 886 N LYS A 41 3.876 -1.626 -6.562 1.00 0.00 N ATOM 887 CA LYS A 41 3.233 -1.980 -5.355 1.00 0.00 C ATOM 888 C LYS A 41 2.381 -0.791 -4.951 1.00 0.00 C ATOM 889 O LYS A 41 2.752 0.363 -5.245 1.00 0.00 O ATOM 890 CB LYS A 41 4.332 -2.194 -4.332 1.00 0.00 C ATOM 891 CG LYS A 41 3.904 -2.699 -2.987 1.00 0.00 C ATOM 892 CD LYS A 41 5.044 -2.581 -1.995 1.00 0.00 C ATOM 893 CE LYS A 41 6.293 -3.376 -2.381 1.00 0.00 C ATOM 894 NZ LYS A 41 6.047 -4.829 -2.528 1.00 0.00 N ATOM 0 H LYS A 41 4.623 -0.943 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 41 2.614 -2.873 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.053 -2.898 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.856 -1.248 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.045 -2.129 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.587 -3.739 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.313 -1.530 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.698 -2.920 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.687 -2.986 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.061 -3.221 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.937 -5.348 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.349 -5.136 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.682 -5.025 -3.482 1.00 0.00 H new ATOM 908 N LEU A 42 1.259 -1.033 -4.330 1.00 0.00 N ATOM 909 CA LEU A 42 0.436 0.055 -3.895 1.00 0.00 C ATOM 910 C LEU A 42 0.786 0.428 -2.505 1.00 0.00 C ATOM 911 O LEU A 42 0.773 -0.400 -1.581 1.00 0.00 O ATOM 912 CB LEU A 42 -1.053 -0.230 -4.043 1.00 0.00 C ATOM 913 CG LEU A 42 -1.582 -0.360 -5.464 1.00 0.00 C ATOM 914 CD1 LEU A 42 -2.933 -1.052 -5.451 1.00 0.00 C ATOM 915 CD2 LEU A 42 -1.733 1.003 -6.151 1.00 0.00 C ATOM 0 H LEU A 42 0.899 -1.963 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 42 0.639 0.902 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.278 -1.153 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.604 0.568 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.855 -0.948 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.306 -1.142 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.829 -2.045 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.636 -0.467 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.113 0.860 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.430 1.621 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.763 1.498 -6.194 1.00 0.00 H new ATOM 927 N ILE A 43 1.137 1.637 -2.374 1.00 0.00 N ATOM 928 CA ILE A 43 1.523 2.192 -1.133 1.00 0.00 C ATOM 929 C ILE A 43 0.370 2.976 -0.579 1.00 0.00 C ATOM 930 O ILE A 43 -0.168 3.874 -1.239 1.00 0.00 O ATOM 931 CB ILE A 43 2.749 3.104 -1.307 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.978 2.327 -1.793 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.052 3.936 -0.068 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.419 1.208 -0.882 1.00 0.00 C ATOM 0 H ILE A 43 1.168 2.299 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 43 1.794 1.392 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 43 2.488 3.815 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.762 1.912 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.806 3.025 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.927 4.558 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.197 4.572 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.249 3.274 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.294 0.716 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.671 1.614 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.611 0.484 -0.777 1.00 0.00 H new ATOM 946 N ILE A 44 -0.025 2.609 0.588 1.00 0.00 N ATOM 947 CA ILE A 44 -1.100 3.259 1.275 1.00 0.00 C ATOM 948 C ILE A 44 -0.570 3.933 2.515 1.00 0.00 C ATOM 949 O ILE A 44 -0.048 3.282 3.439 1.00 0.00 O ATOM 950 CB ILE A 44 -2.254 2.277 1.650 1.00 0.00 C ATOM 951 CG1 ILE A 44 -2.905 1.681 0.394 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.310 2.951 2.534 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.534 2.691 -0.536 1.00 0.00 C ATOM 0 H ILE A 44 0.392 1.836 1.107 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.523 4.000 0.596 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.808 1.465 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.150 1.121 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.669 0.967 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.096 2.234 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.844 3.299 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.742 3.799 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.967 2.176 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.316 3.236 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.773 3.392 -0.880 1.00 0.00 H new ATOM 965 N GLU A 45 -0.660 5.217 2.513 1.00 0.00 N ATOM 966 CA GLU A 45 -0.270 6.018 3.628 1.00 0.00 C ATOM 967 C GLU A 45 -1.346 7.031 3.853 1.00 0.00 C ATOM 968 O GLU A 45 -2.000 7.450 2.885 1.00 0.00 O ATOM 969 CB GLU A 45 1.060 6.729 3.367 1.00 0.00 C ATOM 970 CG GLU A 45 2.258 5.814 3.323 1.00 0.00 C ATOM 971 CD GLU A 45 3.539 6.551 3.081 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.850 7.489 3.837 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.294 6.166 2.175 1.00 0.00 O ATOM 0 H GLU A 45 -1.014 5.754 1.721 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.134 5.383 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.992 7.264 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.217 7.476 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.329 5.270 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.116 5.073 2.536 1.00 0.00 H new ATOM 980 N PRO A 46 -1.565 7.462 5.087 1.00 0.00 N ATOM 981 CA PRO A 46 -2.563 8.417 5.369 1.00 0.00 C ATOM 982 C PRO A 46 -1.997 9.785 5.108 1.00 0.00 C ATOM 983 O PRO A 46 -0.780 9.939 4.856 1.00 0.00 O ATOM 984 CB PRO A 46 -2.862 8.240 6.863 1.00 0.00 C ATOM 985 CG PRO A 46 -1.868 7.257 7.358 1.00 0.00 C ATOM 986 CD PRO A 46 -0.810 7.144 6.291 1.00 0.00 C ATOM 0 HA PRO A 46 -3.461 8.299 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.774 9.187 7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.879 7.880 7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.433 7.586 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.337 6.291 7.543 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.011 7.842 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.376 6.145 6.250 1.00 0.00 H new ATOM 994 N VAL A 47 -2.809 10.750 5.130 1.00 0.00 N ATOM 995 CA VAL A 47 -2.316 12.072 4.957 1.00 0.00 C ATOM 996 C VAL A 47 -2.481 12.759 6.269 1.00 0.00 C ATOM 997 O VAL A 47 -3.614 13.045 6.711 1.00 0.00 O ATOM 998 CB VAL A 47 -2.987 12.879 3.823 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.229 14.140 3.605 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.004 12.106 2.534 1.00 0.00 C ATOM 0 H VAL A 47 -3.817 10.669 5.264 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.274 12.010 4.644 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.015 13.087 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.699 14.713 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.230 14.729 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.202 13.904 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.483 12.703 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.982 11.875 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.560 11.179 2.673 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.516 9.157 -5.679 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.929 9.469 -5.722 1.00 0.00 C ATOM 1353 C ILE B 2 -4.479 9.714 -4.320 1.00 0.00 C ATOM 1354 O ILE B 2 -4.378 8.859 -3.455 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.716 8.325 -6.417 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -4.153 8.104 -7.833 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -6.213 8.647 -6.473 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.770 6.944 -8.581 1.00 0.00 C ATOM 0 HA ILE B 2 -4.055 10.384 -6.301 1.00 0.00 H new ATOM 0 HB ILE B 2 -4.597 7.410 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.300 9.014 -8.415 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -3.077 7.942 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.743 7.831 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.597 8.771 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.366 9.569 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -4.314 6.863 -9.568 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.600 6.021 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.842 7.110 -8.690 1.00 0.00 H new ATOM 1370 N HIS B 3 -5.035 10.886 -4.104 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.618 11.226 -2.815 1.00 0.00 C ATOM 1372 C HIS B 3 -7.071 10.782 -2.767 1.00 0.00 C ATOM 1373 O HIS B 3 -7.866 11.135 -3.637 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.483 12.731 -2.499 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.087 13.171 -2.108 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -3.801 13.889 -0.960 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -2.895 13.007 -2.741 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.493 14.129 -0.932 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -1.890 13.614 -1.990 1.00 0.00 N ATOM 0 H HIS B 3 -5.098 11.625 -4.804 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.063 10.693 -2.044 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.798 13.302 -3.372 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.169 12.982 -1.690 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -4.478 14.184 -0.256 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -2.750 12.489 -3.677 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -1.989 14.674 -0.147 1.00 0.00 H new ATOM 1387 N SER B 4 -7.384 9.987 -1.787 1.00 0.00 N ATOM 1388 CA SER B 4 -8.698 9.411 -1.607 1.00 0.00 C ATOM 1389 C SER B 4 -9.251 9.823 -0.254 1.00 0.00 C ATOM 1390 O SER B 4 -8.846 10.826 0.297 1.00 0.00 O ATOM 1391 CB SER B 4 -8.527 7.915 -1.616 1.00 0.00 C ATOM 1392 OG SER B 4 -7.643 7.543 -0.592 1.00 0.00 O ATOM 0 H SER B 4 -6.718 9.709 -1.066 1.00 0.00 H new ATOM 0 HA SER B 4 -9.377 9.745 -2.392 1.00 0.00 H new ATOM 0 HB2 SER B 4 -9.491 7.426 -1.475 1.00 0.00 H new ATOM 0 HB3 SER B 4 -8.142 7.587 -2.582 1.00 0.00 H new ATOM 0 HG SER B 4 -8.079 6.891 -0.004 1.00 0.00 H new ATOM 1398 N SER B 5 -10.164 9.041 0.265 1.00 0.00 N ATOM 1399 CA SER B 5 -10.712 9.216 1.577 1.00 0.00 C ATOM 1400 C SER B 5 -11.243 7.873 2.029 1.00 0.00 C ATOM 1401 O SER B 5 -11.874 7.162 1.239 1.00 0.00 O ATOM 1402 CB SER B 5 -11.851 10.243 1.579 1.00 0.00 C ATOM 1403 OG SER B 5 -11.429 11.500 1.065 1.00 0.00 O ATOM 0 H SER B 5 -10.555 8.242 -0.233 1.00 0.00 H new ATOM 0 HA SER B 5 -9.937 9.587 2.248 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.681 9.866 0.982 1.00 0.00 H new ATOM 0 HB3 SER B 5 -12.222 10.372 2.596 1.00 0.00 H new ATOM 0 HG SER B 5 -10.468 11.471 0.877 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.937 7.492 3.240 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.479 6.269 3.796 1.00 0.00 C ATOM 1411 C VAL B 6 -12.905 6.536 4.180 1.00 0.00 C ATOM 1412 O VAL B 6 -13.165 7.311 5.087 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.696 5.798 5.043 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.266 4.493 5.590 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.249 5.627 4.695 1.00 0.00 C ATOM 0 H VAL B 6 -10.316 8.006 3.865 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.402 5.479 3.049 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.794 6.557 5.819 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.696 4.186 6.467 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.309 4.640 5.869 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.201 3.719 4.825 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.700 5.295 5.576 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.150 4.883 3.904 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.843 6.578 4.351 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.814 5.956 3.486 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.192 6.184 3.760 1.00 0.00 C ATOM 1427 C LYS B 7 -15.761 4.978 4.474 1.00 0.00 C ATOM 1428 O LYS B 7 -15.099 3.946 4.571 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.940 6.463 2.476 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.590 7.760 1.771 1.00 0.00 C ATOM 1431 CD LYS B 7 -16.122 8.955 2.531 1.00 0.00 C ATOM 1432 CE LYS B 7 -16.015 10.214 1.690 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.666 11.375 2.328 1.00 0.00 N ATOM 0 H LYS B 7 -13.630 5.313 2.716 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.302 7.057 4.403 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.760 5.638 1.787 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.008 6.468 2.695 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.508 7.842 1.670 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.004 7.753 0.763 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -17.162 8.783 2.807 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.563 9.082 3.458 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.964 10.442 1.514 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -16.470 10.036 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.946 12.061 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -17.510 11.058 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.002 11.825 2.990 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.946 5.093 4.976 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.539 4.011 5.710 1.00 0.00 C ATOM 1449 C ARG B 8 -18.587 3.274 4.875 1.00 0.00 C ATOM 1450 O ARG B 8 -19.613 3.837 4.502 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.124 4.513 7.026 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.740 3.422 7.868 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.158 3.935 9.226 1.00 0.00 C ATOM 1454 NE ARG B 8 -17.997 4.216 10.087 1.00 0.00 N ATOM 1455 CZ ARG B 8 -17.981 5.064 11.127 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -19.018 5.859 11.368 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -16.909 5.126 11.909 1.00 0.00 N ATOM 0 H ARG B 8 -17.529 5.926 4.894 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.754 3.292 5.943 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.338 5.003 7.600 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.881 5.268 6.813 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.607 3.009 7.352 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -18.025 2.609 7.990 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -19.749 4.843 9.105 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.800 3.199 9.710 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.130 3.723 9.874 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.836 5.828 10.760 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.996 6.500 12.161 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.103 4.531 11.718 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -16.892 5.769 12.701 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.302 2.038 4.585 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.165 1.168 3.824 1.00 0.00 C ATOM 1473 C TRP B 9 -19.856 0.242 4.818 1.00 0.00 C ATOM 1474 O TRP B 9 -19.268 -0.753 5.270 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.295 0.377 2.820 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.002 -0.551 1.890 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.322 -0.567 1.606 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.415 -1.604 1.084 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.586 -1.504 0.672 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.467 -2.167 0.352 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.113 -2.131 0.893 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.296 -3.196 -0.526 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.956 -3.164 0.016 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.056 -3.682 -0.683 1.00 0.00 C ATOM 0 H TRP B 9 -17.435 1.589 4.879 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.918 1.717 3.259 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.734 1.094 2.220 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.567 -0.203 3.387 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.060 0.077 2.061 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.505 -1.682 0.268 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.267 -1.725 1.428 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.130 -3.606 -1.076 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.975 -3.587 -0.142 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.899 -4.500 -1.371 1.00 0.00 H new ATOM 1495 N GLY B 10 -21.056 0.614 5.225 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.754 -0.141 6.230 1.00 0.00 C ATOM 1497 C GLY B 10 -21.083 0.080 7.559 1.00 0.00 C ATOM 1498 O GLY B 10 -20.968 1.212 8.008 1.00 0.00 O ATOM 0 H GLY B 10 -21.558 1.429 4.874 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.798 0.170 6.278 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.749 -1.201 5.977 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.621 -0.973 8.181 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.843 -0.821 9.412 1.00 0.00 C ATOM 1504 C ASN B 11 -18.334 -1.039 9.146 1.00 0.00 C ATOM 1505 O ASN B 11 -17.552 -1.202 10.083 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.338 -1.797 10.509 1.00 0.00 C ATOM 1507 CG ASN B 11 -20.066 -3.271 10.198 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -19.021 -3.815 10.550 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -21.004 -3.928 9.576 1.00 0.00 N ATOM 0 H ASN B 11 -20.759 -1.936 7.873 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.988 0.199 9.767 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -19.857 -1.541 11.453 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -21.410 -1.657 10.649 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -20.881 -4.919 9.370 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -21.861 -3.451 9.296 1.00 0.00 H new ATOM 1516 N SER B 12 -17.910 -0.942 7.889 1.00 0.00 N ATOM 1517 CA SER B 12 -16.578 -1.251 7.523 1.00 0.00 C ATOM 1518 C SER B 12 -15.961 -0.068 6.788 1.00 0.00 C ATOM 1519 O SER B 12 -16.540 0.448 5.845 1.00 0.00 O ATOM 1520 CB SER B 12 -16.586 -2.500 6.612 1.00 0.00 C ATOM 1521 OG SER B 12 -15.289 -2.831 6.134 1.00 0.00 O ATOM 0 H SER B 12 -18.500 -0.644 7.112 1.00 0.00 H new ATOM 0 HA SER B 12 -15.985 -1.456 8.414 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.993 -3.347 7.165 1.00 0.00 H new ATOM 0 HB3 SER B 12 -17.248 -2.324 5.765 1.00 0.00 H new ATOM 0 HG SER B 12 -15.050 -3.733 6.434 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.821 0.409 7.251 1.00 0.00 N ATOM 1528 CA PRO B 13 -14.058 1.421 6.536 1.00 0.00 C ATOM 1529 C PRO B 13 -13.598 0.855 5.186 1.00 0.00 C ATOM 1530 O PRO B 13 -13.080 -0.274 5.122 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.841 1.697 7.422 1.00 0.00 C ATOM 1532 CG PRO B 13 -13.021 0.908 8.679 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.213 0.011 8.512 1.00 0.00 C ATOM 0 HA PRO B 13 -14.640 2.322 6.342 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.921 1.407 6.914 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.760 2.761 7.644 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.129 0.317 8.887 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -13.166 1.576 9.528 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.916 -1.038 8.492 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.912 0.128 9.340 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.813 1.594 4.128 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.482 1.139 2.815 1.00 0.00 C ATOM 1543 C ALA B 14 -12.721 2.199 2.035 1.00 0.00 C ATOM 1544 O ALA B 14 -13.020 3.402 2.131 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.743 0.747 2.081 1.00 0.00 C ATOM 0 H ALA B 14 -14.223 2.527 4.159 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.831 0.269 2.907 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.488 0.400 1.080 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.247 -0.052 2.625 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.405 1.610 2.009 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.736 1.756 1.289 1.00 0.00 N ATOM 1552 CA VAL B 15 -10.943 2.620 0.443 1.00 0.00 C ATOM 1553 C VAL B 15 -11.289 2.335 -1.004 1.00 0.00 C ATOM 1554 O VAL B 15 -11.298 1.172 -1.423 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.411 2.412 0.658 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.592 3.297 -0.287 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.035 2.721 2.088 1.00 0.00 C ATOM 0 H VAL B 15 -11.459 0.775 1.251 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.173 3.653 0.704 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.185 1.368 0.439 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.529 3.129 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.834 3.048 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.829 4.345 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.964 2.572 2.223 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.288 3.757 2.315 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.581 2.058 2.759 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.611 3.376 -1.741 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.942 3.259 -3.142 1.00 0.00 C ATOM 1569 C ARG B 16 -10.695 3.088 -3.997 1.00 0.00 C ATOM 1570 O ARG B 16 -9.770 3.906 -3.937 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.701 4.488 -3.614 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.119 4.597 -3.119 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.749 5.853 -3.666 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.147 6.048 -3.254 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.737 7.253 -3.147 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.016 8.364 -3.306 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.035 7.349 -2.851 1.00 0.00 N ATOM 0 H ARG B 16 -11.650 4.330 -1.383 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.568 2.373 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.154 5.376 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.713 4.491 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.692 3.724 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.134 4.615 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.162 6.713 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.702 5.827 -4.755 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.703 5.221 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.018 8.300 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -16.462 9.278 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.588 6.505 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.474 8.267 -2.772 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.679 2.047 -4.784 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.589 1.796 -5.702 1.00 0.00 C ATOM 1593 C ILE B 17 -10.022 2.288 -7.082 1.00 0.00 C ATOM 1594 O ILE B 17 -11.117 1.951 -7.536 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.237 0.272 -5.797 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.899 -0.312 -4.416 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.087 0.020 -6.778 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -7.728 0.340 -3.698 1.00 0.00 C ATOM 0 H ILE B 17 -11.419 1.345 -4.811 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.702 2.317 -5.342 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.123 -0.237 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -9.782 -0.232 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -8.685 -1.374 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.870 -1.047 -6.818 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.372 0.370 -7.770 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.200 0.558 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -7.575 -0.147 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.827 0.238 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -7.941 1.397 -3.540 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.214 3.131 -7.745 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.521 3.604 -9.088 1.00 0.00 C ATOM 1612 C PRO B 18 -9.584 2.443 -10.071 1.00 0.00 C ATOM 1613 O PRO B 18 -8.715 1.542 -10.052 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.341 4.520 -9.447 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.694 4.846 -8.151 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.959 3.691 -7.235 1.00 0.00 C ATOM 0 HA PRO B 18 -10.486 4.109 -9.132 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.645 4.020 -10.120 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.683 5.422 -9.955 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.623 4.999 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.100 5.769 -7.737 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.151 2.960 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.056 4.015 -6.199 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.573 2.475 -10.949 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.771 1.438 -11.947 1.00 0.00 C ATOM 1626 C ALA B 19 -9.577 1.388 -12.894 1.00 0.00 C ATOM 1627 O ALA B 19 -9.263 0.346 -13.469 1.00 0.00 O ATOM 1628 CB ALA B 19 -12.067 1.677 -12.711 1.00 0.00 C ATOM 0 H ALA B 19 -11.264 3.224 -10.989 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.850 0.473 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.201 0.892 -13.455 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.907 1.665 -12.016 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.022 2.645 -13.210 1.00 0.00 H new ATOM 1634 N THR B 20 -8.911 2.518 -13.027 1.00 0.00 N ATOM 1635 CA THR B 20 -7.698 2.650 -13.799 1.00 0.00 C ATOM 1636 C THR B 20 -6.620 1.680 -13.256 1.00 0.00 C ATOM 1637 O THR B 20 -5.980 0.964 -14.015 1.00 0.00 O ATOM 1638 CB THR B 20 -7.191 4.095 -13.663 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.311 4.983 -13.795 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.167 4.423 -14.741 1.00 0.00 C ATOM 0 H THR B 20 -9.209 3.390 -12.589 1.00 0.00 H new ATOM 0 HA THR B 20 -7.897 2.412 -14.844 1.00 0.00 H new ATOM 0 HB THR B 20 -6.712 4.211 -12.691 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.005 5.910 -13.709 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.827 5.451 -14.619 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.317 3.747 -14.653 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.623 4.306 -15.724 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.491 1.626 -11.933 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.486 0.787 -11.272 1.00 0.00 C ATOM 1650 C LEU B 21 -5.873 -0.645 -11.287 1.00 0.00 C ATOM 1651 O LEU B 21 -5.031 -1.519 -11.419 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.231 1.253 -9.851 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.190 2.344 -9.683 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.797 1.785 -9.951 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.458 3.508 -10.614 1.00 0.00 C ATOM 0 H LEU B 21 -7.075 2.158 -11.288 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.560 0.889 -11.838 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.172 1.610 -9.433 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.924 0.392 -9.257 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.248 2.705 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.058 2.576 -9.828 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.587 0.979 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.749 1.399 -10.969 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.695 4.273 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.433 3.161 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.440 3.929 -10.397 1.00 0.00 H new ATOM 1667 N MET B 22 -7.140 -0.873 -11.143 1.00 0.00 N ATOM 1668 CA MET B 22 -7.724 -2.222 -11.259 1.00 0.00 C ATOM 1669 C MET B 22 -7.283 -2.854 -12.562 1.00 0.00 C ATOM 1670 O MET B 22 -6.769 -3.969 -12.605 1.00 0.00 O ATOM 1671 CB MET B 22 -9.246 -2.129 -11.234 1.00 0.00 C ATOM 1672 CG MET B 22 -9.836 -1.622 -9.933 1.00 0.00 C ATOM 1673 SD MET B 22 -9.756 -2.817 -8.608 1.00 0.00 S ATOM 1674 CE MET B 22 -10.779 -4.110 -9.299 1.00 0.00 C ATOM 0 H MET B 22 -7.823 -0.143 -10.940 1.00 0.00 H new ATOM 0 HA MET B 22 -7.384 -2.832 -10.422 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.568 -1.472 -12.042 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.659 -3.116 -11.442 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.307 -0.718 -9.630 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.876 -1.342 -10.098 1.00 0.00 H new ATOM 0 HE1 MET B 22 -11.217 -4.698 -8.492 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.574 -3.664 -9.896 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.170 -4.757 -9.930 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.462 -2.110 -13.606 1.00 0.00 N ATOM 1685 CA GLN B 23 -7.058 -2.509 -14.940 1.00 0.00 C ATOM 1686 C GLN B 23 -5.556 -2.533 -15.086 1.00 0.00 C ATOM 1687 O GLN B 23 -5.015 -3.343 -15.830 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.636 -1.553 -15.945 1.00 0.00 C ATOM 1689 CG GLN B 23 -9.130 -1.563 -15.960 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.717 -0.522 -16.885 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -9.949 -0.772 -18.073 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -9.953 0.649 -16.359 1.00 0.00 N ATOM 0 H GLN B 23 -7.900 -1.190 -13.568 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.432 -3.518 -15.114 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -7.286 -0.545 -15.724 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.265 -1.808 -16.938 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.478 -2.550 -16.265 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.499 -1.393 -14.949 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -9.748 0.816 -15.374 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.343 1.397 -16.933 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.889 -1.672 -14.354 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.427 -1.550 -14.463 1.00 0.00 C ATOM 1703 C ALA B 24 -2.745 -2.770 -13.884 1.00 0.00 C ATOM 1704 O ALA B 24 -1.769 -3.283 -14.423 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.935 -0.297 -13.757 1.00 0.00 C ATOM 0 H ALA B 24 -5.319 -1.042 -13.676 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.175 -1.475 -15.521 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.851 -0.228 -13.851 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.395 0.581 -14.211 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.205 -0.344 -12.702 1.00 0.00 H new ATOM 1711 N LEU B 25 -3.299 -3.244 -12.810 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.765 -4.369 -12.094 1.00 0.00 C ATOM 1713 C LEU B 25 -3.453 -5.654 -12.521 1.00 0.00 C ATOM 1714 O LEU B 25 -3.142 -6.737 -12.025 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.949 -4.112 -10.624 1.00 0.00 C ATOM 1716 CG LEU B 25 -2.189 -2.897 -10.098 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.668 -2.549 -8.729 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.687 -3.167 -10.074 1.00 0.00 C ATOM 0 H LEU B 25 -4.148 -2.856 -12.398 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.705 -4.490 -12.316 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -4.011 -3.977 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.628 -4.994 -10.070 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.377 -2.057 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -2.120 -1.681 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.733 -2.318 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.501 -3.393 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.165 -2.288 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.481 -4.018 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.341 -3.388 -11.084 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.414 -5.496 -13.440 1.00 0.00 N ATOM 1731 CA ASN B 26 -5.193 -6.591 -14.052 1.00 0.00 C ATOM 1732 C ASN B 26 -6.005 -7.388 -13.037 1.00 0.00 C ATOM 1733 O ASN B 26 -6.455 -8.510 -13.322 1.00 0.00 O ATOM 1734 CB ASN B 26 -4.306 -7.524 -14.910 1.00 0.00 C ATOM 1735 CG ASN B 26 -3.745 -6.838 -16.149 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -4.382 -6.819 -17.208 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -2.552 -6.314 -16.056 1.00 0.00 N ATOM 0 H ASN B 26 -4.682 -4.577 -13.792 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.910 -6.106 -14.715 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.481 -7.893 -14.301 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.890 -8.392 -15.215 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -2.123 -5.875 -16.870 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -2.049 -6.344 -15.169 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.276 -6.781 -11.904 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.990 -7.431 -10.865 1.00 0.00 C ATOM 1746 C LEU B 27 -8.454 -7.057 -10.963 1.00 0.00 C ATOM 1747 O LEU B 27 -8.803 -5.997 -11.504 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.380 -7.081 -9.495 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.541 -5.652 -8.952 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.748 -5.568 -8.043 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.305 -5.218 -8.200 1.00 0.00 C ATOM 0 H LEU B 27 -6.001 -5.822 -11.691 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.912 -8.513 -10.972 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.808 -7.763 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.313 -7.296 -9.545 1.00 0.00 H new ATOM 0 HG LEU B 27 -6.684 -4.984 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.849 -4.550 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.644 -5.839 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.621 -6.254 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.444 -4.204 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.133 -5.893 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.445 -5.243 -8.869 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.295 -7.905 -10.482 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.728 -7.688 -10.568 1.00 0.00 C ATOM 1765 C ASN B 28 -11.376 -7.770 -9.217 1.00 0.00 C ATOM 1766 O ASN B 28 -10.703 -7.992 -8.211 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.394 -8.686 -11.528 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.085 -8.411 -12.981 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -11.785 -7.640 -13.636 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.071 -9.043 -13.502 1.00 0.00 N ATOM 0 H ASN B 28 -9.027 -8.772 -10.016 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.871 -6.682 -10.963 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.066 -9.695 -11.278 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.474 -8.656 -11.381 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -9.835 -8.906 -14.485 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -9.514 -9.675 -12.927 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.678 -7.565 -9.188 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.445 -7.674 -7.962 1.00 0.00 C ATOM 1779 C ILE B 29 -13.358 -9.118 -7.438 1.00 0.00 C ATOM 1780 O ILE B 29 -13.355 -10.076 -8.232 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.934 -7.229 -8.176 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.008 -5.754 -8.631 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.773 -7.427 -6.919 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.419 -4.755 -7.651 1.00 0.00 C ATOM 0 H ILE B 29 -13.232 -7.319 -10.009 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.022 -7.000 -7.217 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.346 -7.865 -8.960 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.489 -5.656 -9.584 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.052 -5.495 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.797 -7.106 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.769 -8.481 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.354 -6.835 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.516 -3.748 -8.056 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.952 -4.818 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.365 -4.981 -7.490 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.221 -9.236 -6.128 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.040 -10.490 -5.394 1.00 0.00 C ATOM 1798 C ASP B 30 -11.636 -10.994 -5.447 1.00 0.00 C ATOM 1799 O ASP B 30 -11.361 -12.140 -5.097 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.061 -11.591 -5.720 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.152 -11.648 -4.688 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -14.922 -12.201 -3.596 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -16.267 -11.133 -4.921 1.00 0.00 O ATOM 0 H ASP B 30 -13.233 -8.423 -5.512 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.251 -10.217 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -14.496 -11.407 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -13.555 -12.555 -5.771 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.718 -10.132 -5.839 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.333 -10.498 -5.808 1.00 0.00 C ATOM 1810 C ASP B 31 -8.847 -10.271 -4.410 1.00 0.00 C ATOM 1811 O ASP B 31 -9.054 -9.187 -3.833 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.489 -9.707 -6.805 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.122 -10.340 -7.029 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.059 -11.369 -7.743 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -6.112 -9.843 -6.534 1.00 0.00 O ATOM 0 H ASP B 31 -10.911 -9.189 -6.176 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.232 -11.543 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.018 -9.642 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.361 -8.687 -6.442 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.335 -11.306 -3.831 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.824 -11.282 -2.507 1.00 0.00 C ATOM 1822 C GLU B 32 -6.529 -10.493 -2.473 1.00 0.00 C ATOM 1823 O GLU B 32 -5.687 -10.655 -3.357 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.639 -12.726 -2.017 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.970 -12.837 -0.673 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.883 -14.243 -0.176 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -7.880 -14.761 0.342 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -5.800 -14.847 -0.243 1.00 0.00 O ATOM 0 H GLU B 32 -8.260 -12.218 -4.282 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.523 -10.785 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.615 -13.209 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.049 -13.275 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.966 -12.418 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.520 -12.236 0.051 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.382 -9.601 -1.495 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.171 -8.803 -1.427 1.00 0.00 C ATOM 1837 C VAL B 33 -4.602 -8.818 -0.035 1.00 0.00 C ATOM 1838 O VAL B 33 -5.336 -9.003 0.950 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.340 -7.306 -1.926 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.329 -7.199 -3.051 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.697 -6.323 -0.814 1.00 0.00 C ATOM 0 H VAL B 33 -7.067 -9.419 -0.761 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.478 -9.276 -2.123 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.355 -7.020 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.415 -6.158 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.989 -7.803 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.302 -7.559 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.796 -5.321 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.640 -6.619 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -4.910 -6.326 -0.060 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.310 -8.666 0.040 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.636 -8.557 1.300 1.00 0.00 C ATOM 1853 C LYS B 34 -2.581 -7.107 1.741 1.00 0.00 C ATOM 1854 O LYS B 34 -2.138 -6.239 0.981 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.191 -9.040 1.206 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.977 -10.489 0.850 1.00 0.00 C ATOM 1857 CD LYS B 34 0.511 -10.775 0.824 1.00 0.00 C ATOM 1858 CE LYS B 34 0.815 -12.196 0.435 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.271 -12.448 0.407 1.00 0.00 N ATOM 0 H LYS B 34 -2.695 -8.614 -0.772 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.194 -9.170 2.007 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.677 -8.429 0.464 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.707 -8.851 2.164 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.472 -11.133 1.577 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.420 -10.707 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.996 -10.097 0.122 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.935 -10.572 1.808 1.00 0.00 H new ATOM 0 HE2 LYS B 34 0.340 -12.878 1.141 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.389 -12.405 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.447 -13.436 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.720 -11.814 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.672 -12.271 1.350 1.00 0.00 H new ATOM 1873 N ILE B 35 -3.073 -6.845 2.920 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.819 -5.593 3.578 1.00 0.00 C ATOM 1875 C ILE B 35 -1.713 -5.922 4.545 1.00 0.00 C ATOM 1876 O ILE B 35 -1.971 -6.477 5.619 1.00 0.00 O ATOM 1877 CB ILE B 35 -4.036 -4.985 4.388 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.265 -4.680 3.513 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.615 -3.711 5.112 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -6.033 -5.882 3.059 1.00 0.00 C ATOM 0 H ILE B 35 -3.659 -7.490 3.450 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.592 -4.834 2.829 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.327 -5.754 5.104 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.937 -4.028 4.071 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.938 -4.124 2.635 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.465 -3.308 5.663 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.806 -3.938 5.807 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.272 -2.975 4.384 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.879 -5.564 2.450 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.383 -6.528 2.469 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.397 -6.430 3.928 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.503 -5.694 4.129 1.00 0.00 N ATOM 1893 CA ASP B 36 0.654 -6.077 4.914 1.00 0.00 C ATOM 1894 C ASP B 36 1.353 -4.848 5.434 1.00 0.00 C ATOM 1895 O ASP B 36 1.562 -3.890 4.703 1.00 0.00 O ATOM 1896 CB ASP B 36 1.589 -6.985 4.077 1.00 0.00 C ATOM 1897 CG ASP B 36 2.824 -7.480 4.818 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.698 -8.205 5.825 1.00 0.00 O ATOM 1899 OD2 ASP B 36 3.952 -7.214 4.366 1.00 0.00 O ATOM 0 H ASP B 36 -0.281 -5.241 3.243 1.00 0.00 H new ATOM 0 HA ASP B 36 0.337 -6.658 5.780 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.020 -7.847 3.730 1.00 0.00 H new ATOM 0 HB3 ASP B 36 1.909 -6.436 3.191 1.00 0.00 H new ATOM 1904 N LEU B 37 1.637 -4.838 6.704 1.00 0.00 N ATOM 1905 CA LEU B 37 2.236 -3.753 7.332 1.00 0.00 C ATOM 1906 C LEU B 37 3.736 -3.909 7.238 1.00 0.00 C ATOM 1907 O LEU B 37 4.290 -4.968 7.538 1.00 0.00 O ATOM 1908 CB LEU B 37 1.750 -3.737 8.784 1.00 0.00 C ATOM 1909 CG LEU B 37 2.018 -2.506 9.653 1.00 0.00 C ATOM 1910 CD1 LEU B 37 3.474 -2.371 9.995 1.00 0.00 C ATOM 1911 CD2 LEU B 37 1.495 -1.264 8.976 1.00 0.00 C ATOM 0 H LEU B 37 1.442 -5.621 7.329 1.00 0.00 H new ATOM 0 HA LEU B 37 1.971 -2.806 6.862 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.672 -3.899 8.770 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.195 -4.596 9.287 1.00 0.00 H new ATOM 0 HG LEU B 37 1.484 -2.636 10.594 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.622 -1.485 10.613 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.803 -3.254 10.543 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.056 -2.275 9.078 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.692 -0.396 9.605 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.993 -1.136 8.015 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.421 -1.361 8.818 1.00 0.00 H new ATOM 1923 N VAL B 38 4.356 -2.865 6.823 1.00 0.00 N ATOM 1924 CA VAL B 38 5.816 -2.767 6.671 1.00 0.00 C ATOM 1925 C VAL B 38 6.193 -1.316 6.863 1.00 0.00 C ATOM 1926 O VAL B 38 5.570 -0.460 6.255 1.00 0.00 O ATOM 1927 CB VAL B 38 6.318 -3.204 5.237 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.828 -3.043 5.100 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.939 -4.631 4.906 1.00 0.00 C ATOM 0 H VAL B 38 3.869 -2.007 6.562 1.00 0.00 H new ATOM 0 HA VAL B 38 6.275 -3.433 7.401 1.00 0.00 H new ATOM 0 HB VAL B 38 5.819 -2.541 4.530 1.00 0.00 H new ATOM 0 HG11 VAL B 38 8.138 -3.353 4.102 1.00 0.00 H new ATOM 0 HG12 VAL B 38 8.098 -1.999 5.256 1.00 0.00 H new ATOM 0 HG13 VAL B 38 8.329 -3.662 5.844 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.306 -4.884 3.911 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.383 -5.305 5.639 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.854 -4.734 4.929 1.00 0.00 H new ATOM 1939 N ASP B 39 7.150 -1.030 7.758 1.00 0.00 N ATOM 1940 CA ASP B 39 7.679 0.356 7.959 1.00 0.00 C ATOM 1941 C ASP B 39 6.573 1.298 8.495 1.00 0.00 C ATOM 1942 O ASP B 39 6.666 2.517 8.441 1.00 0.00 O ATOM 1943 CB ASP B 39 8.262 0.853 6.592 1.00 0.00 C ATOM 1944 CG ASP B 39 8.792 2.268 6.560 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.940 2.492 6.974 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.098 3.172 6.053 1.00 0.00 O ATOM 0 H ASP B 39 7.583 -1.730 8.361 1.00 0.00 H new ATOM 0 HA ASP B 39 8.469 0.356 8.710 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.068 0.180 6.300 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.482 0.763 5.836 1.00 0.00 H new ATOM 1951 N GLY B 40 5.549 0.701 9.085 1.00 0.00 N ATOM 1952 CA GLY B 40 4.404 1.465 9.569 1.00 0.00 C ATOM 1953 C GLY B 40 3.588 2.033 8.417 1.00 0.00 C ATOM 1954 O GLY B 40 2.777 2.953 8.595 1.00 0.00 O ATOM 0 H GLY B 40 5.485 -0.305 9.241 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.771 0.825 10.184 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.751 2.278 10.207 1.00 0.00 H new ATOM 1958 N LYS B 41 3.827 1.500 7.246 1.00 0.00 N ATOM 1959 CA LYS B 41 3.198 1.890 6.039 1.00 0.00 C ATOM 1960 C LYS B 41 2.322 0.718 5.605 1.00 0.00 C ATOM 1961 O LYS B 41 2.655 -0.444 5.903 1.00 0.00 O ATOM 1962 CB LYS B 41 4.327 2.102 5.036 1.00 0.00 C ATOM 1963 CG LYS B 41 3.954 2.676 3.704 1.00 0.00 C ATOM 1964 CD LYS B 41 5.142 2.605 2.750 1.00 0.00 C ATOM 1965 CE LYS B 41 6.388 3.375 3.232 1.00 0.00 C ATOM 1966 NZ LYS B 41 6.128 4.810 3.523 1.00 0.00 N ATOM 0 H LYS B 41 4.501 0.746 7.117 1.00 0.00 H new ATOM 0 HA LYS B 41 2.590 2.790 6.128 1.00 0.00 H new ATOM 0 HB2 LYS B 41 5.067 2.759 5.493 1.00 0.00 H new ATOM 0 HB3 LYS B 41 4.814 1.142 4.867 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.110 2.127 3.287 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.634 3.711 3.822 1.00 0.00 H new ATOM 0 HD2 LYS B 41 5.411 1.559 2.600 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.838 2.999 1.780 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.775 2.895 4.131 1.00 0.00 H new ATOM 0 HE3 LYS B 41 7.166 3.303 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 7.027 5.332 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.501 5.204 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 5.674 4.899 4.454 1.00 0.00 H new ATOM 1980 N LEU B 42 1.217 0.990 4.958 1.00 0.00 N ATOM 1981 CA LEU B 42 0.367 -0.073 4.499 1.00 0.00 C ATOM 1982 C LEU B 42 0.734 -0.462 3.118 1.00 0.00 C ATOM 1983 O LEU B 42 0.764 0.364 2.195 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.102 0.279 4.603 1.00 0.00 C ATOM 1985 CG LEU B 42 -1.634 0.365 6.012 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.027 0.971 6.019 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -1.664 -1.011 6.664 1.00 0.00 C ATOM 0 H LEU B 42 0.889 1.931 4.740 1.00 0.00 H new ATOM 0 HA LEU B 42 0.524 -0.929 5.155 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.268 1.236 4.108 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.679 -0.467 4.057 1.00 0.00 H new ATOM 0 HG LEU B 42 -0.966 1.007 6.585 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.395 1.025 7.044 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.990 1.974 5.593 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -3.697 0.349 5.425 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.051 -0.924 7.679 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.308 -1.674 6.086 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -0.655 -1.421 6.694 1.00 0.00 H new ATOM 1999 N ILE B 43 1.049 -1.683 2.990 1.00 0.00 N ATOM 2000 CA ILE B 43 1.445 -2.239 1.750 1.00 0.00 C ATOM 2001 C ILE B 43 0.288 -3.012 1.178 1.00 0.00 C ATOM 2002 O ILE B 43 -0.263 -3.912 1.828 1.00 0.00 O ATOM 2003 CB ILE B 43 2.657 -3.164 1.939 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.881 -2.405 2.483 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.980 -3.980 0.698 1.00 0.00 C ATOM 2006 CD1 ILE B 43 4.415 -1.310 1.588 1.00 0.00 C ATOM 0 H ILE B 43 1.041 -2.351 3.761 1.00 0.00 H new ATOM 0 HA ILE B 43 1.732 -1.440 1.066 1.00 0.00 H new ATOM 0 HB ILE B 43 2.373 -3.890 2.701 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.618 -1.968 3.446 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.680 -3.123 2.667 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.845 -4.613 0.894 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.124 -4.604 0.440 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.202 -3.308 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE B 43 5.275 -0.839 2.063 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.717 -1.737 0.632 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.638 -0.564 1.423 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.094 -2.633 0.007 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.169 -3.270 -0.697 1.00 0.00 C ATOM 2020 C ILE B 44 -0.633 -3.952 -1.932 1.00 0.00 C ATOM 2021 O ILE B 44 -0.091 -3.305 -2.850 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.300 -2.269 -1.089 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -2.958 -1.664 0.157 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.351 -2.926 -1.991 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.617 -2.665 1.080 1.00 0.00 C ATOM 0 H ILE B 44 0.335 -1.860 -0.502 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.610 -4.006 -0.025 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.835 -1.463 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.202 -1.116 0.719 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.706 -0.938 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.122 -2.197 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.875 -3.281 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.805 -3.768 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.054 -2.143 1.931 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.400 -3.197 0.540 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.873 -3.378 1.435 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.745 -5.239 -1.941 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.334 -6.040 -3.055 1.00 0.00 C ATOM 2039 C GLU B 45 -1.406 -7.060 -3.310 1.00 0.00 C ATOM 2040 O GLU B 45 -2.051 -7.526 -2.355 1.00 0.00 O ATOM 2041 CB GLU B 45 1.006 -6.739 -2.784 1.00 0.00 C ATOM 2042 CG GLU B 45 2.178 -5.792 -2.677 1.00 0.00 C ATOM 2043 CD GLU B 45 3.487 -6.493 -2.479 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.958 -7.160 -3.418 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.117 -6.324 -1.436 1.00 0.00 O ATOM 0 H GLU B 45 -1.130 -5.776 -1.164 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.192 -5.401 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU B 45 0.927 -7.310 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.200 -7.454 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.231 -5.186 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.010 -5.108 -1.845 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.632 -7.441 -4.566 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.636 -8.375 -4.886 1.00 0.00 C ATOM 2054 C PRO B 46 -2.084 -9.756 -4.738 1.00 0.00 C ATOM 2055 O PRO B 46 -0.849 -9.965 -4.742 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.971 -8.098 -6.348 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.928 -7.165 -6.832 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.876 -7.079 -5.751 1.00 0.00 C ATOM 0 HA PRO B 46 -3.513 -8.295 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.972 -9.019 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.964 -7.659 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.493 -7.523 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.354 -6.182 -7.035 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.048 -7.764 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.451 -6.078 -5.674 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.923 -10.678 -4.632 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.478 -12.025 -4.475 1.00 0.00 C ATOM 2068 C VAL B 47 -2.670 -12.695 -5.790 1.00 0.00 C ATOM 2069 O VAL B 47 -3.811 -12.889 -6.253 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.188 -12.801 -3.348 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.482 -14.090 -3.112 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.196 -12.013 -2.066 1.00 0.00 C ATOM 0 H VAL B 47 -3.935 -10.552 -4.648 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.432 -12.014 -4.170 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.218 -12.979 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.984 -14.639 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.494 -14.684 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.450 -13.892 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.703 -12.586 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.171 -11.811 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.720 -11.070 -2.222 1.00 0.00 H new