USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=18 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 Set 1.1: B 5 SER OG : rot 20:sc= -2.85! USER MOD Set 1.2: B 7 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.13) USER MOD Set 2.1: A 11 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.091) USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 5 SER OG : rot -177:sc= -2.62! USER MOD Set 3.2: A 7 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1) USER MOD Single : A 3 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 22 MET CE :methyl -154:sc= -0.345 (180deg=-1.45!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.18) 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=0.17) USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= -0.0501 (180deg=-1.02!) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.03) USER MOD Single : B 3 HIS : no HE2:sc= 0.81 K(o=0.81,f=-2.5!) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.00968 USER MOD Single : B 22 MET CE :methyl -156:sc= -0.392 (180deg=-1.34!) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.5) 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=0.48) USER MOD Single : B 34 LYS NZ :NH3+ 144:sc= -1.02 (180deg=-2.14!) USER MOD Single : B 41 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -1.480 -10.660 6.077 1.00 0.00 N ATOM 280 CA ILE A 2 -2.857 -10.238 6.008 1.00 0.00 C ATOM 281 C ILE A 2 -3.353 -10.440 4.573 1.00 0.00 C ATOM 282 O ILE A 2 -2.700 -10.000 3.617 1.00 0.00 O ATOM 283 CB ILE A 2 -2.998 -8.744 6.420 1.00 0.00 C ATOM 284 CG1 ILE A 2 -2.450 -8.530 7.843 1.00 0.00 C ATOM 285 CG2 ILE A 2 -4.455 -8.291 6.336 1.00 0.00 C ATOM 286 CD1 ILE A 2 -2.450 -7.082 8.300 1.00 0.00 C ATOM 0 HA ILE A 2 -3.456 -10.831 6.699 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.415 -8.140 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.044 -9.119 8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.431 -8.914 7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.528 -7.244 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.814 -8.408 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.064 -8.898 7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.049 -7.020 9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.831 -6.488 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.470 -6.697 8.290 1.00 0.00 H new ATOM 298 N HIS A 3 -4.470 -11.114 4.416 1.00 0.00 N ATOM 299 CA HIS A 3 -5.010 -11.368 3.098 1.00 0.00 C ATOM 300 C HIS A 3 -6.521 -11.172 3.083 1.00 0.00 C ATOM 301 O HIS A 3 -7.273 -11.807 3.828 1.00 0.00 O ATOM 302 CB HIS A 3 -4.581 -12.752 2.496 1.00 0.00 C ATOM 303 CG HIS A 3 -5.131 -13.995 3.166 1.00 0.00 C ATOM 304 ND1 HIS A 3 -5.977 -14.893 2.537 1.00 0.00 N ATOM 305 CD2 HIS A 3 -4.919 -14.501 4.410 1.00 0.00 C ATOM 306 CE1 HIS A 3 -6.247 -15.874 3.390 1.00 0.00 C ATOM 307 NE2 HIS A 3 -5.632 -15.689 4.546 1.00 0.00 N ATOM 0 H HIS A 3 -5.022 -11.496 5.184 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.567 -10.626 2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.879 -12.772 1.448 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.493 -12.808 2.519 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.331 -14.814 1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.297 -14.053 5.171 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.887 -16.715 3.168 1.00 0.00 H new ATOM 315 N SER A 4 -6.938 -10.309 2.238 1.00 0.00 N ATOM 316 CA SER A 4 -8.311 -9.909 2.108 1.00 0.00 C ATOM 317 C SER A 4 -8.678 -9.943 0.640 1.00 0.00 C ATOM 318 O SER A 4 -8.004 -10.599 -0.129 1.00 0.00 O ATOM 319 CB SER A 4 -8.490 -8.500 2.691 1.00 0.00 C ATOM 320 OG SER A 4 -8.318 -8.489 4.098 1.00 0.00 O ATOM 0 H SER A 4 -6.316 -9.834 1.584 1.00 0.00 H new ATOM 0 HA SER A 4 -8.966 -10.586 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.771 -7.822 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.484 -8.127 2.443 1.00 0.00 H new ATOM 0 HG SER A 4 -8.437 -7.577 4.435 1.00 0.00 H new ATOM 326 N SER A 5 -9.715 -9.260 0.253 1.00 0.00 N ATOM 327 CA SER A 5 -10.144 -9.261 -1.109 1.00 0.00 C ATOM 328 C SER A 5 -10.824 -7.947 -1.455 1.00 0.00 C ATOM 329 O SER A 5 -11.308 -7.229 -0.563 1.00 0.00 O ATOM 330 CB SER A 5 -11.059 -10.467 -1.367 1.00 0.00 C ATOM 331 OG SER A 5 -12.047 -10.577 -0.361 1.00 0.00 O ATOM 0 H SER A 5 -10.285 -8.687 0.875 1.00 0.00 H new ATOM 0 HA SER A 5 -9.276 -9.355 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.537 -10.364 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.464 -11.380 -1.399 1.00 0.00 H new ATOM 0 HG SER A 5 -12.589 -11.378 -0.521 1.00 0.00 H new ATOM 337 N VAL A 6 -10.809 -7.616 -2.718 1.00 0.00 N ATOM 338 CA VAL A 6 -11.448 -6.414 -3.219 1.00 0.00 C ATOM 339 C VAL A 6 -12.907 -6.689 -3.417 1.00 0.00 C ATOM 340 O VAL A 6 -13.263 -7.595 -4.152 1.00 0.00 O ATOM 341 CB VAL A 6 -10.844 -5.992 -4.573 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.498 -4.732 -5.100 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.370 -5.791 -4.430 1.00 0.00 C ATOM 0 H VAL A 6 -10.351 -8.173 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.294 -5.612 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.031 -6.789 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.049 -4.462 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.565 -4.906 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.351 -3.920 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.949 -5.493 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.179 -5.012 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.906 -6.722 -4.103 1.00 0.00 H new ATOM 353 N LYS A 7 -13.745 -5.940 -2.791 1.00 0.00 N ATOM 354 CA LYS A 7 -15.143 -6.169 -2.919 1.00 0.00 C ATOM 355 C LYS A 7 -15.742 -4.992 -3.701 1.00 0.00 C ATOM 356 O LYS A 7 -15.070 -3.974 -3.897 1.00 0.00 O ATOM 357 CB LYS A 7 -15.751 -6.307 -1.528 1.00 0.00 C ATOM 358 CG LYS A 7 -15.158 -7.400 -0.653 1.00 0.00 C ATOM 359 CD LYS A 7 -15.511 -8.783 -1.145 1.00 0.00 C ATOM 360 CE LYS A 7 -14.976 -9.834 -0.192 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.425 -11.188 -0.544 1.00 0.00 N ATOM 0 H LYS A 7 -13.488 -5.162 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.356 -7.090 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.644 -5.354 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.820 -6.493 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.074 -7.292 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.516 -7.278 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.593 -8.880 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.095 -8.939 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.886 -9.803 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.299 -9.599 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.954 -11.881 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.455 -11.256 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.184 -11.387 -1.536 1.00 0.00 H new ATOM 375 N ARG A 8 -16.957 -5.114 -4.160 1.00 0.00 N ATOM 376 CA ARG A 8 -17.548 -4.052 -4.945 1.00 0.00 C ATOM 377 C ARG A 8 -18.485 -3.206 -4.118 1.00 0.00 C ATOM 378 O ARG A 8 -19.467 -3.702 -3.557 1.00 0.00 O ATOM 379 CB ARG A 8 -18.273 -4.581 -6.158 1.00 0.00 C ATOM 380 CG ARG A 8 -18.763 -3.481 -7.075 1.00 0.00 C ATOM 381 CD ARG A 8 -19.529 -4.057 -8.216 1.00 0.00 C ATOM 382 NE ARG A 8 -18.693 -4.794 -9.178 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.992 -6.013 -9.672 1.00 0.00 C ATOM 384 NH1 ARG A 8 -20.022 -6.700 -9.174 1.00 0.00 N ATOM 385 NH2 ARG A 8 -18.250 -6.545 -10.644 1.00 0.00 N ATOM 0 H ARG A 8 -17.556 -5.926 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.722 -3.428 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.608 -5.242 -6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.122 -5.183 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.394 -2.789 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.915 -2.908 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.295 -4.727 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.045 -3.252 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.829 -4.353 -9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.583 -6.303 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.248 -7.622 -9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.453 -6.030 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.480 -7.467 -11.014 1.00 0.00 H new ATOM 399 N TRP A 9 -18.169 -1.949 -4.034 1.00 0.00 N ATOM 400 CA TRP A 9 -18.968 -0.980 -3.340 1.00 0.00 C ATOM 401 C TRP A 9 -19.670 -0.145 -4.395 1.00 0.00 C ATOM 402 O TRP A 9 -19.082 0.798 -4.959 1.00 0.00 O ATOM 403 CB TRP A 9 -18.063 -0.118 -2.434 1.00 0.00 C ATOM 404 CG TRP A 9 -18.750 0.873 -1.542 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.076 0.957 -1.281 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.133 1.913 -0.753 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.316 1.938 -0.389 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.171 2.552 -0.063 1.00 0.00 C ATOM 409 CE3 TRP A 9 -16.813 2.374 -0.550 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -18.963 3.601 0.789 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.619 3.416 0.304 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.700 4.020 0.962 1.00 0.00 C ATOM 0 H TRP A 9 -17.327 -1.557 -4.456 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.709 -1.452 -2.695 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.472 -0.787 -1.808 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.363 0.424 -3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -20.833 0.328 -1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.235 2.178 -0.017 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -15.980 1.912 -1.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -19.785 4.075 1.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.618 3.783 0.477 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.510 4.848 1.629 1.00 0.00 H new ATOM 423 N GLY A 10 -20.872 -0.558 -4.735 1.00 0.00 N ATOM 424 CA GLY A 10 -21.630 0.102 -5.753 1.00 0.00 C ATOM 425 C GLY A 10 -21.095 -0.285 -7.095 1.00 0.00 C ATOM 426 O GLY A 10 -21.201 -1.441 -7.497 1.00 0.00 O ATOM 0 H GLY A 10 -21.342 -1.358 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.682 -0.172 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.572 1.183 -5.623 1.00 0.00 H new ATOM 430 N ASN A 11 -20.517 0.654 -7.780 1.00 0.00 N ATOM 431 CA ASN A 11 -19.854 0.373 -9.048 1.00 0.00 C ATOM 432 C ASN A 11 -18.321 0.467 -8.929 1.00 0.00 C ATOM 433 O ASN A 11 -17.620 0.504 -9.938 1.00 0.00 O ATOM 434 CB ASN A 11 -20.323 1.358 -10.132 1.00 0.00 C ATOM 435 CG ASN A 11 -19.987 2.811 -9.807 1.00 0.00 C ATOM 436 OD1 ASN A 11 -18.904 3.304 -10.125 1.00 0.00 O ATOM 437 ND2 ASN A 11 -20.909 3.509 -9.187 1.00 0.00 N ATOM 0 H ASN A 11 -20.483 1.632 -7.493 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.123 -0.647 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.863 1.089 -11.083 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -21.401 1.261 -10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -20.738 4.488 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.796 3.073 -8.936 1.00 0.00 H new ATOM 444 N SER A 12 -17.774 0.438 -7.728 1.00 0.00 N ATOM 445 CA SER A 12 -16.388 0.692 -7.574 1.00 0.00 C ATOM 446 C SER A 12 -15.748 -0.312 -6.627 1.00 0.00 C ATOM 447 O SER A 12 -16.348 -0.705 -5.629 1.00 0.00 O ATOM 448 CB SER A 12 -16.179 2.125 -7.079 1.00 0.00 C ATOM 449 OG SER A 12 -16.724 3.070 -8.004 1.00 0.00 O ATOM 0 H SER A 12 -18.278 0.241 -6.863 1.00 0.00 H new ATOM 0 HA SER A 12 -15.901 0.580 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.652 2.250 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.114 2.315 -6.944 1.00 0.00 H new ATOM 0 HG SER A 12 -16.580 3.979 -7.666 1.00 0.00 H new ATOM 455 N PRO A 13 -14.565 -0.780 -6.977 1.00 0.00 N ATOM 456 CA PRO A 13 -13.786 -1.691 -6.146 1.00 0.00 C ATOM 457 C PRO A 13 -13.314 -1.009 -4.854 1.00 0.00 C ATOM 458 O PRO A 13 -12.696 0.073 -4.885 1.00 0.00 O ATOM 459 CB PRO A 13 -12.588 -2.051 -7.034 1.00 0.00 C ATOM 460 CG PRO A 13 -12.505 -0.966 -8.045 1.00 0.00 C ATOM 461 CD PRO A 13 -13.898 -0.472 -8.243 1.00 0.00 C ATOM 0 HA PRO A 13 -14.363 -2.559 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.670 -2.114 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.730 -3.021 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.853 -0.163 -7.701 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.087 -1.337 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.916 0.597 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.383 -0.971 -9.082 1.00 0.00 H new ATOM 469 N ALA A 14 -13.626 -1.612 -3.738 1.00 0.00 N ATOM 470 CA ALA A 14 -13.257 -1.083 -2.460 1.00 0.00 C ATOM 471 C ALA A 14 -12.720 -2.185 -1.574 1.00 0.00 C ATOM 472 O ALA A 14 -13.191 -3.334 -1.625 1.00 0.00 O ATOM 473 CB ALA A 14 -14.448 -0.405 -1.805 1.00 0.00 C ATOM 0 H ALA A 14 -14.146 -2.488 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.473 -0.339 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.152 -0.008 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.797 0.410 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.251 -1.130 -1.671 1.00 0.00 H new ATOM 479 N VAL A 15 -11.726 -1.860 -0.806 1.00 0.00 N ATOM 480 CA VAL A 15 -11.141 -2.793 0.130 1.00 0.00 C ATOM 481 C VAL A 15 -11.474 -2.335 1.537 1.00 0.00 C ATOM 482 O VAL A 15 -11.486 -1.128 1.813 1.00 0.00 O ATOM 483 CB VAL A 15 -9.585 -2.910 -0.056 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.961 -3.842 0.983 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.258 -3.418 -1.451 1.00 0.00 C ATOM 0 H VAL A 15 -11.290 -0.938 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.556 -3.784 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.164 -1.914 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.884 -3.897 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.159 -3.457 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.394 -4.838 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.177 -3.494 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.709 -4.400 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.654 -2.724 -2.193 1.00 0.00 H new ATOM 495 N ARG A 16 -11.796 -3.281 2.391 1.00 0.00 N ATOM 496 CA ARG A 16 -12.102 -3.012 3.774 1.00 0.00 C ATOM 497 C ARG A 16 -10.812 -2.853 4.566 1.00 0.00 C ATOM 498 O ARG A 16 -9.933 -3.712 4.498 1.00 0.00 O ATOM 499 CB ARG A 16 -12.920 -4.161 4.357 1.00 0.00 C ATOM 500 CG ARG A 16 -14.328 -4.284 3.807 1.00 0.00 C ATOM 501 CD ARG A 16 -15.029 -5.473 4.428 1.00 0.00 C ATOM 502 NE ARG A 16 -16.439 -5.597 4.012 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.165 -6.740 4.059 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.591 -7.906 4.353 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.455 -6.715 3.777 1.00 0.00 N ATOM 0 H ARG A 16 -11.853 -4.268 2.140 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.680 -2.090 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.390 -5.096 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.977 -4.035 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.889 -3.373 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.295 -4.397 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.495 -6.384 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.983 -5.388 5.514 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.903 -4.758 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.590 -7.947 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.152 -8.757 4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.905 -5.835 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.002 -7.575 3.812 1.00 0.00 H new ATOM 519 N ILE A 17 -10.682 -1.752 5.265 1.00 0.00 N ATOM 520 CA ILE A 17 -9.515 -1.503 6.085 1.00 0.00 C ATOM 521 C ILE A 17 -9.812 -1.868 7.546 1.00 0.00 C ATOM 522 O ILE A 17 -10.846 -1.466 8.090 1.00 0.00 O ATOM 523 CB ILE A 17 -8.985 -0.010 5.970 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.223 0.244 4.668 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.117 0.403 7.126 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.070 0.300 3.458 1.00 0.00 C ATOM 0 H ILE A 17 -11.376 -1.005 5.284 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.715 -2.140 5.709 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.889 0.599 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.680 1.185 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.480 -0.543 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.789 1.433 6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.685 0.327 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.247 -0.251 7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.445 0.484 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.594 -0.648 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.797 1.106 3.560 1.00 0.00 H new ATOM 538 N PRO A 18 -8.930 -2.668 8.183 1.00 0.00 N ATOM 539 CA PRO A 18 -9.081 -3.052 9.583 1.00 0.00 C ATOM 540 C PRO A 18 -9.058 -1.832 10.510 1.00 0.00 C ATOM 541 O PRO A 18 -8.157 -0.960 10.409 1.00 0.00 O ATOM 542 CB PRO A 18 -7.865 -3.959 9.861 1.00 0.00 C ATOM 543 CG PRO A 18 -6.903 -3.669 8.758 1.00 0.00 C ATOM 544 CD PRO A 18 -7.731 -3.271 7.573 1.00 0.00 C ATOM 0 HA PRO A 18 -10.035 -3.547 9.766 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.426 -3.742 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.151 -5.011 9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.218 -2.870 9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.295 -4.545 8.531 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.205 -2.561 6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.985 -4.131 6.953 1.00 0.00 H new ATOM 552 N ALA A 19 -10.015 -1.788 11.431 1.00 0.00 N ATOM 553 CA ALA A 19 -10.166 -0.690 12.380 1.00 0.00 C ATOM 554 C ALA A 19 -8.915 -0.516 13.211 1.00 0.00 C ATOM 555 O ALA A 19 -8.591 0.583 13.608 1.00 0.00 O ATOM 556 CB ALA A 19 -11.365 -0.915 13.293 1.00 0.00 C ATOM 0 H ALA A 19 -10.715 -2.521 11.541 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.333 0.219 11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.453 -0.081 13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.272 -0.983 12.692 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.229 -1.841 13.851 1.00 0.00 H new ATOM 562 N THR A 20 -8.205 -1.601 13.427 1.00 0.00 N ATOM 563 CA THR A 20 -6.968 -1.611 14.176 1.00 0.00 C ATOM 564 C THR A 20 -5.953 -0.589 13.606 1.00 0.00 C ATOM 565 O THR A 20 -5.315 0.128 14.347 1.00 0.00 O ATOM 566 CB THR A 20 -6.381 -3.019 14.108 1.00 0.00 C ATOM 567 OG1 THR A 20 -7.444 -3.947 14.360 1.00 0.00 O ATOM 568 CG2 THR A 20 -5.291 -3.216 15.150 1.00 0.00 C ATOM 0 H THR A 20 -8.477 -2.521 13.079 1.00 0.00 H new ATOM 0 HA THR A 20 -7.172 -1.328 15.208 1.00 0.00 H new ATOM 0 HB THR A 20 -5.937 -3.177 13.125 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.096 -4.862 14.321 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.894 -4.228 15.075 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.489 -2.498 14.978 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.707 -3.063 16.146 1.00 0.00 H new ATOM 576 N LEU A 21 -5.876 -0.492 12.281 1.00 0.00 N ATOM 577 CA LEU A 21 -4.936 0.429 11.621 1.00 0.00 C ATOM 578 C LEU A 21 -5.458 1.819 11.640 1.00 0.00 C ATOM 579 O LEU A 21 -4.703 2.784 11.783 1.00 0.00 O ATOM 580 CB LEU A 21 -4.646 -0.011 10.199 1.00 0.00 C ATOM 581 CG LEU A 21 -3.547 -1.043 10.025 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.184 -0.414 10.268 1.00 0.00 C ATOM 583 CD2 LEU A 21 -3.735 -2.219 10.957 1.00 0.00 C ATOM 0 H LEU A 21 -6.450 -1.037 11.638 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.000 0.405 12.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.564 -0.414 9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.383 0.871 9.615 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.602 -1.407 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.407 -1.168 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.025 0.396 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.141 -0.019 11.283 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.929 -2.937 10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.719 -1.871 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.692 -2.698 10.750 1.00 0.00 H new ATOM 595 N MET A 22 -6.749 1.910 11.520 1.00 0.00 N ATOM 596 CA MET A 22 -7.474 3.175 11.650 1.00 0.00 C ATOM 597 C MET A 22 -7.080 3.839 12.950 1.00 0.00 C ATOM 598 O MET A 22 -6.763 5.015 12.999 1.00 0.00 O ATOM 599 CB MET A 22 -8.978 2.913 11.665 1.00 0.00 C ATOM 600 CG MET A 22 -9.556 2.392 10.367 1.00 0.00 C ATOM 601 SD MET A 22 -9.628 3.642 9.094 1.00 0.00 S ATOM 602 CE MET A 22 -10.740 4.803 9.884 1.00 0.00 C ATOM 0 H MET A 22 -7.351 1.109 11.327 1.00 0.00 H new ATOM 0 HA MET A 22 -7.226 3.819 10.807 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.197 2.195 12.455 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.489 3.840 11.925 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.952 1.555 10.015 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.559 2.007 10.549 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.260 5.384 9.123 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.468 4.258 10.485 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.169 5.474 10.526 1.00 0.00 H new ATOM 612 N GLN A 23 -7.067 3.039 13.971 1.00 0.00 N ATOM 613 CA GLN A 23 -6.710 3.444 15.319 1.00 0.00 C ATOM 614 C GLN A 23 -5.216 3.507 15.529 1.00 0.00 C ATOM 615 O GLN A 23 -4.747 4.128 16.480 1.00 0.00 O ATOM 616 CB GLN A 23 -7.247 2.445 16.277 1.00 0.00 C ATOM 617 CG GLN A 23 -8.711 2.234 16.130 1.00 0.00 C ATOM 618 CD GLN A 23 -9.247 1.170 17.050 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.238 -0.012 16.711 1.00 0.00 O ATOM 620 NE2 GLN A 23 -9.750 1.561 18.172 1.00 0.00 N ATOM 0 H GLN A 23 -7.311 2.051 13.899 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.127 4.439 15.476 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.731 1.496 16.132 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.032 2.772 17.294 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.229 3.172 16.328 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.931 1.959 15.098 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.739 2.551 18.419 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.159 0.880 18.812 1.00 0.00 H new ATOM 629 N ALA A 24 -4.462 2.852 14.682 1.00 0.00 N ATOM 630 CA ALA A 24 -3.020 2.790 14.884 1.00 0.00 C ATOM 631 C ALA A 24 -2.402 4.089 14.472 1.00 0.00 C ATOM 632 O ALA A 24 -1.531 4.637 15.141 1.00 0.00 O ATOM 633 CB ALA A 24 -2.405 1.628 14.120 1.00 0.00 C ATOM 0 H ALA A 24 -4.806 2.360 13.858 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.821 2.621 15.942 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.329 1.609 14.291 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.844 0.692 14.466 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.601 1.749 13.055 1.00 0.00 H new ATOM 639 N LEU A 25 -2.908 4.596 13.405 1.00 0.00 N ATOM 640 CA LEU A 25 -2.434 5.822 12.824 1.00 0.00 C ATOM 641 C LEU A 25 -3.270 6.965 13.327 1.00 0.00 C ATOM 642 O LEU A 25 -2.894 8.131 13.232 1.00 0.00 O ATOM 643 CB LEU A 25 -2.580 5.722 11.334 1.00 0.00 C ATOM 644 CG LEU A 25 -1.619 4.821 10.558 1.00 0.00 C ATOM 645 CD1 LEU A 25 -0.199 5.374 10.555 1.00 0.00 C ATOM 646 CD2 LEU A 25 -1.611 3.365 11.005 1.00 0.00 C ATOM 0 H LEU A 25 -3.680 4.169 12.893 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.391 5.991 13.093 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.594 5.381 11.124 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.491 6.729 10.925 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.012 4.826 9.541 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.451 4.704 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.193 6.360 10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.162 5.455 11.580 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.901 2.802 10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.319 3.308 12.054 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.608 2.941 10.883 1.00 0.00 H new ATOM 658 N ASN A 26 -4.419 6.595 13.815 1.00 0.00 N ATOM 659 CA ASN A 26 -5.412 7.486 14.409 1.00 0.00 C ATOM 660 C ASN A 26 -6.065 8.370 13.380 1.00 0.00 C ATOM 661 O ASN A 26 -5.803 9.582 13.303 1.00 0.00 O ATOM 662 CB ASN A 26 -4.893 8.314 15.607 1.00 0.00 C ATOM 663 CG ASN A 26 -4.525 7.476 16.808 1.00 0.00 C ATOM 664 OD1 ASN A 26 -5.371 7.187 17.663 1.00 0.00 O ATOM 665 ND2 ASN A 26 -3.273 7.120 16.917 1.00 0.00 N ATOM 0 H ASN A 26 -4.717 5.619 13.816 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.170 6.819 14.820 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.020 8.885 15.292 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.657 9.035 15.898 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.964 6.585 17.728 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.605 7.377 16.191 1.00 0.00 H new ATOM 672 N LEU A 27 -6.856 7.761 12.548 1.00 0.00 N ATOM 673 CA LEU A 27 -7.615 8.441 11.577 1.00 0.00 C ATOM 674 C LEU A 27 -9.064 8.020 11.734 1.00 0.00 C ATOM 675 O LEU A 27 -9.371 7.110 12.519 1.00 0.00 O ATOM 676 CB LEU A 27 -7.141 8.088 10.183 1.00 0.00 C ATOM 677 CG LEU A 27 -7.384 6.660 9.722 1.00 0.00 C ATOM 678 CD1 LEU A 27 -8.084 6.670 8.376 1.00 0.00 C ATOM 679 CD2 LEU A 27 -6.084 5.880 9.656 1.00 0.00 C ATOM 0 H LEU A 27 -6.985 6.749 12.537 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.504 9.517 11.715 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.628 8.761 9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.071 8.287 10.127 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.026 6.160 10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.257 5.645 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.039 7.188 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.460 7.184 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.287 4.862 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.405 6.363 8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.625 5.854 10.644 1.00 0.00 H new ATOM 691 N ASN A 28 -9.930 8.637 10.997 1.00 0.00 N ATOM 692 CA ASN A 28 -11.340 8.323 11.027 1.00 0.00 C ATOM 693 C ASN A 28 -11.912 8.423 9.634 1.00 0.00 C ATOM 694 O ASN A 28 -11.171 8.514 8.661 1.00 0.00 O ATOM 695 CB ASN A 28 -12.124 9.225 12.003 1.00 0.00 C ATOM 696 CG ASN A 28 -11.946 10.704 11.753 1.00 0.00 C ATOM 697 OD1 ASN A 28 -12.670 11.299 10.977 1.00 0.00 O ATOM 698 ND2 ASN A 28 -11.011 11.307 12.431 1.00 0.00 N ATOM 0 H ASN A 28 -9.685 9.383 10.346 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.444 7.302 11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.184 8.981 11.935 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.810 8.999 13.022 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.867 12.311 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.423 10.775 13.073 1.00 0.00 H new ATOM 705 N ILE A 29 -13.205 8.366 9.543 1.00 0.00 N ATOM 706 CA ILE A 29 -13.895 8.428 8.289 1.00 0.00 C ATOM 707 C ILE A 29 -13.792 9.822 7.637 1.00 0.00 C ATOM 708 O ILE A 29 -13.814 10.852 8.321 1.00 0.00 O ATOM 709 CB ILE A 29 -15.365 7.989 8.486 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.426 6.493 8.873 1.00 0.00 C ATOM 711 CG2 ILE A 29 -16.246 8.286 7.268 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.797 5.541 7.867 1.00 0.00 C ATOM 0 H ILE A 29 -13.822 8.274 10.350 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.414 7.738 7.595 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.773 8.584 9.303 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.929 6.362 9.834 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.470 6.212 9.013 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.265 7.955 7.467 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.244 9.358 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.856 7.756 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.890 4.517 8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.307 5.636 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.743 5.788 7.743 1.00 0.00 H new ATOM 724 N ASP A 30 -13.619 9.799 6.314 1.00 0.00 N ATOM 725 CA ASP A 30 -13.510 10.960 5.424 1.00 0.00 C ATOM 726 C ASP A 30 -12.150 11.624 5.592 1.00 0.00 C ATOM 727 O ASP A 30 -11.933 12.769 5.200 1.00 0.00 O ATOM 728 CB ASP A 30 -14.679 11.962 5.613 1.00 0.00 C ATOM 729 CG ASP A 30 -14.831 12.934 4.447 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.514 12.582 3.464 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.289 14.064 4.478 1.00 0.00 O ATOM 0 H ASP A 30 -13.547 8.919 5.804 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.590 10.604 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.608 11.407 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.519 12.528 6.531 1.00 0.00 H new ATOM 736 N ASP A 31 -11.208 10.875 6.118 1.00 0.00 N ATOM 737 CA ASP A 31 -9.891 11.390 6.334 1.00 0.00 C ATOM 738 C ASP A 31 -9.086 11.110 5.092 1.00 0.00 C ATOM 739 O ASP A 31 -9.178 10.007 4.508 1.00 0.00 O ATOM 740 CB ASP A 31 -9.247 10.752 7.571 1.00 0.00 C ATOM 741 CG ASP A 31 -8.030 11.507 8.059 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.949 11.344 7.517 1.00 0.00 O ATOM 743 OD2 ASP A 31 -8.164 12.321 9.001 1.00 0.00 O ATOM 0 H ASP A 31 -11.338 9.904 6.403 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.929 12.463 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.983 10.703 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.962 9.726 7.337 1.00 0.00 H new ATOM 748 N GLU A 32 -8.378 12.102 4.661 1.00 0.00 N ATOM 749 CA GLU A 32 -7.604 12.070 3.453 1.00 0.00 C ATOM 750 C GLU A 32 -6.391 11.151 3.595 1.00 0.00 C ATOM 751 O GLU A 32 -5.743 11.113 4.641 1.00 0.00 O ATOM 752 CB GLU A 32 -7.192 13.500 3.100 1.00 0.00 C ATOM 753 CG GLU A 32 -6.211 13.615 1.961 1.00 0.00 C ATOM 754 CD GLU A 32 -5.830 15.034 1.683 1.00 0.00 C ATOM 755 OE1 GLU A 32 -5.066 15.617 2.475 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.298 15.602 0.676 1.00 0.00 O ATOM 0 H GLU A 32 -8.317 12.992 5.155 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.207 11.660 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.087 14.069 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.756 13.966 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.315 13.040 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.646 13.175 1.064 1.00 0.00 H new ATOM 763 N VAL A 33 -6.100 10.397 2.545 1.00 0.00 N ATOM 764 CA VAL A 33 -4.987 9.486 2.557 1.00 0.00 C ATOM 765 C VAL A 33 -4.183 9.613 1.301 1.00 0.00 C ATOM 766 O VAL A 33 -4.706 9.983 0.237 1.00 0.00 O ATOM 767 CB VAL A 33 -5.386 7.978 2.779 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.429 7.859 3.822 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.869 7.298 1.519 1.00 0.00 C ATOM 0 H VAL A 33 -6.629 10.406 1.673 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.389 9.778 3.420 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.474 7.473 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.689 6.809 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.052 8.265 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.315 8.415 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.128 6.263 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.748 7.818 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.080 7.322 0.767 1.00 0.00 H new ATOM 779 N LYS A 34 -2.930 9.326 1.433 1.00 0.00 N ATOM 780 CA LYS A 34 -2.021 9.320 0.315 1.00 0.00 C ATOM 781 C LYS A 34 -1.909 7.922 -0.212 1.00 0.00 C ATOM 782 O LYS A 34 -1.785 6.959 0.563 1.00 0.00 O ATOM 783 CB LYS A 34 -0.624 9.786 0.718 1.00 0.00 C ATOM 784 CG LYS A 34 -0.550 11.189 1.266 1.00 0.00 C ATOM 785 CD LYS A 34 0.878 11.604 1.662 1.00 0.00 C ATOM 786 CE LYS A 34 1.503 10.693 2.735 1.00 0.00 C ATOM 787 NZ LYS A 34 2.149 9.461 2.183 1.00 0.00 N ATOM 0 H LYS A 34 -2.496 9.086 2.324 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.414 10.003 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.231 9.099 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.030 9.717 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.931 11.886 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.200 11.268 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.511 11.595 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.861 12.629 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.246 11.262 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.729 10.399 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.089 8.694 2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.660 9.173 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.148 9.658 1.971 1.00 0.00 H new ATOM 801 N ILE A 35 -1.991 7.804 -1.487 1.00 0.00 N ATOM 802 CA ILE A 35 -1.766 6.574 -2.151 1.00 0.00 C ATOM 803 C ILE A 35 -0.472 6.747 -2.898 1.00 0.00 C ATOM 804 O ILE A 35 -0.416 7.458 -3.908 1.00 0.00 O ATOM 805 CB ILE A 35 -2.904 6.162 -3.160 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.256 5.902 -2.464 1.00 0.00 C ATOM 807 CG2 ILE A 35 -2.500 4.929 -3.955 1.00 0.00 C ATOM 808 CD1 ILE A 35 -4.975 7.129 -1.965 1.00 0.00 C ATOM 0 H ILE A 35 -2.221 8.577 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.743 5.774 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.036 7.010 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.909 5.378 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.088 5.232 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.301 4.663 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.591 5.141 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.319 4.099 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.912 6.835 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.350 7.647 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.184 7.794 -2.803 1.00 0.00 H new ATOM 820 N ASP A 36 0.565 6.184 -2.382 1.00 0.00 N ATOM 821 CA ASP A 36 1.850 6.308 -3.005 1.00 0.00 C ATOM 822 C ASP A 36 2.071 5.071 -3.829 1.00 0.00 C ATOM 823 O ASP A 36 1.935 3.952 -3.340 1.00 0.00 O ATOM 824 CB ASP A 36 2.983 6.534 -1.972 1.00 0.00 C ATOM 825 CG ASP A 36 2.841 7.816 -1.165 1.00 0.00 C ATOM 826 OD1 ASP A 36 3.118 8.913 -1.700 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.470 7.751 0.040 1.00 0.00 O ATOM 0 H ASP A 36 0.555 5.629 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 36 1.871 7.191 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.009 5.687 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.939 6.551 -2.495 1.00 0.00 H new ATOM 832 N LEU A 37 2.344 5.255 -5.077 1.00 0.00 N ATOM 833 CA LEU A 37 2.414 4.210 -5.975 1.00 0.00 C ATOM 834 C LEU A 37 3.860 3.837 -6.188 1.00 0.00 C ATOM 835 O LEU A 37 4.720 4.694 -6.422 1.00 0.00 O ATOM 836 CB LEU A 37 1.726 4.672 -7.257 1.00 0.00 C ATOM 837 CG LEU A 37 1.431 3.654 -8.348 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.676 3.309 -9.111 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.799 2.421 -7.745 1.00 0.00 C ATOM 0 H LEU A 37 2.526 6.171 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 37 1.910 3.314 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.780 5.133 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.343 5.455 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 37 0.727 4.092 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.438 2.579 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.081 4.209 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.415 2.887 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.591 1.697 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.482 1.981 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.132 2.695 -7.249 1.00 0.00 H new ATOM 851 N VAL A 38 4.112 2.579 -6.094 1.00 0.00 N ATOM 852 CA VAL A 38 5.454 2.022 -6.248 1.00 0.00 C ATOM 853 C VAL A 38 5.348 0.658 -6.930 1.00 0.00 C ATOM 854 O VAL A 38 4.807 -0.258 -6.343 1.00 0.00 O ATOM 855 CB VAL A 38 6.174 1.795 -4.863 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.602 1.315 -5.064 1.00 0.00 C ATOM 857 CG2 VAL A 38 6.155 3.034 -3.975 1.00 0.00 C ATOM 0 H VAL A 38 3.395 1.878 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 38 6.033 2.736 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 38 5.606 1.021 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.076 1.166 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.595 0.373 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.160 2.061 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.665 2.817 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.663 3.854 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.123 3.319 -3.770 1.00 0.00 H new ATOM 867 N ASP A 39 5.798 0.554 -8.183 1.00 0.00 N ATOM 868 CA ASP A 39 5.838 -0.743 -8.944 1.00 0.00 C ATOM 869 C ASP A 39 4.454 -1.313 -9.191 1.00 0.00 C ATOM 870 O ASP A 39 4.295 -2.502 -9.469 1.00 0.00 O ATOM 871 CB ASP A 39 6.703 -1.812 -8.243 1.00 0.00 C ATOM 872 CG ASP A 39 8.173 -1.534 -8.300 1.00 0.00 C ATOM 873 OD1 ASP A 39 8.809 -1.838 -9.333 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.752 -1.049 -7.306 1.00 0.00 O ATOM 0 H ASP A 39 6.148 1.350 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 39 6.293 -0.495 -9.903 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.397 -1.886 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.508 -2.781 -8.702 1.00 0.00 H new ATOM 879 N GLY A 40 3.469 -0.466 -9.145 1.00 0.00 N ATOM 880 CA GLY A 40 2.100 -0.902 -9.318 1.00 0.00 C ATOM 881 C GLY A 40 1.488 -1.398 -8.018 1.00 0.00 C ATOM 882 O GLY A 40 0.326 -1.796 -7.978 1.00 0.00 O ATOM 0 H GLY A 40 3.580 0.536 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.504 -0.077 -9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.065 -1.698 -10.061 1.00 0.00 H new ATOM 886 N LYS A 41 2.267 -1.370 -6.964 1.00 0.00 N ATOM 887 CA LYS A 41 1.839 -1.783 -5.668 1.00 0.00 C ATOM 888 C LYS A 41 1.219 -0.557 -5.013 1.00 0.00 C ATOM 889 O LYS A 41 1.799 0.546 -5.070 1.00 0.00 O ATOM 890 CB LYS A 41 3.078 -2.227 -4.903 1.00 0.00 C ATOM 891 CG LYS A 41 2.873 -2.875 -3.555 1.00 0.00 C ATOM 892 CD LYS A 41 4.195 -2.876 -2.779 1.00 0.00 C ATOM 893 CE LYS A 41 5.330 -3.666 -3.451 1.00 0.00 C ATOM 894 NZ LYS A 41 5.094 -5.124 -3.489 1.00 0.00 N ATOM 0 H LYS A 41 3.235 -1.051 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 41 1.119 -2.601 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.628 -2.927 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.717 -1.355 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.110 -2.336 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.513 -3.896 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.520 -1.845 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.019 -3.291 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.462 -3.301 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.261 -3.471 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.945 -5.604 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.879 -5.466 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.292 -5.330 -4.118 1.00 0.00 H new ATOM 908 N LEU A 42 0.078 -0.727 -4.426 1.00 0.00 N ATOM 909 CA LEU A 42 -0.649 0.376 -3.836 1.00 0.00 C ATOM 910 C LEU A 42 -0.302 0.562 -2.395 1.00 0.00 C ATOM 911 O LEU A 42 -0.533 -0.298 -1.560 1.00 0.00 O ATOM 912 CB LEU A 42 -2.154 0.213 -4.018 1.00 0.00 C ATOM 913 CG LEU A 42 -2.686 0.406 -5.431 1.00 0.00 C ATOM 914 CD1 LEU A 42 -4.020 -0.302 -5.591 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.875 1.891 -5.744 1.00 0.00 C ATOM 0 H LEU A 42 -0.386 -1.631 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.343 1.278 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.434 -0.785 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.657 0.924 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.957 -0.017 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.390 -0.156 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.891 -1.368 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.738 0.109 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.256 2.003 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.586 2.324 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.918 2.406 -5.656 1.00 0.00 H new ATOM 927 N ILE A 43 0.286 1.660 -2.123 1.00 0.00 N ATOM 928 CA ILE A 43 0.628 2.028 -0.784 1.00 0.00 C ATOM 929 C ILE A 43 -0.403 2.989 -0.257 1.00 0.00 C ATOM 930 O ILE A 43 -0.660 4.043 -0.834 1.00 0.00 O ATOM 931 CB ILE A 43 2.066 2.626 -0.690 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.157 1.557 -0.657 1.00 0.00 C ATOM 933 CG2 ILE A 43 2.235 3.578 0.474 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.162 0.611 -1.816 1.00 0.00 C ATOM 0 H ILE A 43 0.553 2.348 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 43 0.631 1.130 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 43 2.187 3.198 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.127 2.053 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.049 0.980 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.256 3.961 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.537 4.409 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.034 3.051 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.973 -0.107 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.211 0.080 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.305 1.170 -2.741 1.00 0.00 H new ATOM 946 N ILE A 44 -0.994 2.589 0.789 1.00 0.00 N ATOM 947 CA ILE A 44 -2.026 3.338 1.463 1.00 0.00 C ATOM 948 C ILE A 44 -1.468 3.899 2.765 1.00 0.00 C ATOM 949 O ILE A 44 -1.092 3.142 3.675 1.00 0.00 O ATOM 950 CB ILE A 44 -3.259 2.436 1.786 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.867 1.820 0.507 1.00 0.00 C ATOM 952 CG2 ILE A 44 -4.320 3.197 2.586 1.00 0.00 C ATOM 953 CD1 ILE A 44 -4.365 2.825 -0.511 1.00 0.00 C ATOM 0 H ILE A 44 -0.782 1.698 1.238 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.349 4.145 0.805 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.899 1.616 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.116 1.187 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.696 1.172 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.163 2.537 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.890 3.540 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.664 4.056 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.774 2.298 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.142 3.443 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.538 3.458 -0.832 1.00 0.00 H new ATOM 965 N GLU A 45 -1.378 5.197 2.849 1.00 0.00 N ATOM 966 CA GLU A 45 -0.904 5.835 4.040 1.00 0.00 C ATOM 967 C GLU A 45 -1.770 7.033 4.382 1.00 0.00 C ATOM 968 O GLU A 45 -1.810 8.007 3.614 1.00 0.00 O ATOM 969 CB GLU A 45 0.552 6.264 3.869 1.00 0.00 C ATOM 970 CG GLU A 45 1.142 6.949 5.083 1.00 0.00 C ATOM 971 CD GLU A 45 2.613 7.161 4.948 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.039 8.136 4.297 1.00 0.00 O ATOM 973 OE2 GLU A 45 3.382 6.357 5.483 1.00 0.00 O ATOM 0 H GLU A 45 -1.630 5.838 2.097 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.963 5.121 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.153 5.386 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.623 6.938 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.650 7.910 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.943 6.348 5.970 1.00 0.00 H new ATOM 980 N PRO A 46 -2.553 6.950 5.483 1.00 0.00 N ATOM 981 CA PRO A 46 -3.300 8.070 6.029 1.00 0.00 C ATOM 982 C PRO A 46 -2.472 9.325 6.178 1.00 0.00 C ATOM 983 O PRO A 46 -1.236 9.287 6.298 1.00 0.00 O ATOM 984 CB PRO A 46 -3.668 7.604 7.431 1.00 0.00 C ATOM 985 CG PRO A 46 -2.919 6.363 7.616 1.00 0.00 C ATOM 986 CD PRO A 46 -2.842 5.758 6.262 1.00 0.00 C ATOM 0 HA PRO A 46 -4.135 8.321 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.395 8.347 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.741 7.437 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.925 6.558 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.423 5.698 8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.057 5.006 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.774 5.278 5.964 1.00 0.00 H new ATOM 994 N VAL A 47 -3.133 10.406 6.218 1.00 0.00 N ATOM 995 CA VAL A 47 -2.475 11.667 6.401 1.00 0.00 C ATOM 996 C VAL A 47 -2.767 12.093 7.802 1.00 0.00 C ATOM 997 O VAL A 47 -3.872 12.527 8.113 1.00 0.00 O ATOM 998 CB VAL A 47 -2.944 12.764 5.423 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.080 13.975 5.553 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.914 12.292 4.005 1.00 0.00 C ATOM 0 H VAL A 47 -4.147 10.463 6.127 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.411 11.537 6.205 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.974 13.010 5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.421 14.742 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.140 14.357 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.047 13.711 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.251 13.093 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.896 12.007 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.573 11.430 3.894 1.00 0.00 H new ATOM 1351 N ILE B 2 -1.017 10.607 -5.380 1.00 0.00 N ATOM 1352 CA ILE B 2 -2.412 10.253 -5.401 1.00 0.00 C ATOM 1353 C ILE B 2 -2.992 10.457 -4.010 1.00 0.00 C ATOM 1354 O ILE B 2 -2.434 9.975 -3.033 1.00 0.00 O ATOM 1355 CB ILE B 2 -2.622 8.777 -5.850 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -2.007 8.544 -7.239 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -4.115 8.417 -5.862 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -2.080 7.105 -7.719 1.00 0.00 C ATOM 0 HA ILE B 2 -2.922 10.892 -6.122 1.00 0.00 H new ATOM 0 HB ILE B 2 -2.119 8.130 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -2.516 9.182 -7.961 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -0.963 8.856 -7.219 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -4.237 7.381 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -4.527 8.541 -4.861 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -4.642 9.073 -6.555 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -1.624 7.027 -8.706 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -1.545 6.461 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -3.123 6.793 -7.775 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.082 11.169 -3.912 1.00 0.00 N ATOM 1371 CA HIS B 3 -4.700 11.376 -2.628 1.00 0.00 C ATOM 1372 C HIS B 3 -6.181 11.129 -2.724 1.00 0.00 C ATOM 1373 O HIS B 3 -6.821 11.444 -3.728 1.00 0.00 O ATOM 1374 CB HIS B 3 -4.339 12.748 -1.939 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.823 14.025 -2.597 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -5.672 14.936 -1.981 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -4.520 14.569 -3.802 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -5.853 15.960 -2.815 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -5.175 15.790 -3.937 1.00 0.00 N ATOM 0 H HIS B 3 -4.558 11.613 -4.698 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.272 10.639 -1.948 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -4.734 12.725 -0.923 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -3.254 12.805 -1.858 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -6.084 14.838 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -3.871 14.124 -4.542 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -6.473 16.818 -2.602 1.00 0.00 H new ATOM 1387 N SER B 4 -6.690 10.475 -1.742 1.00 0.00 N ATOM 1388 CA SER B 4 -8.076 10.104 -1.663 1.00 0.00 C ATOM 1389 C SER B 4 -8.487 10.142 -0.215 1.00 0.00 C ATOM 1390 O SER B 4 -7.830 10.791 0.570 1.00 0.00 O ATOM 1391 CB SER B 4 -8.262 8.710 -2.249 1.00 0.00 C ATOM 1392 OG SER B 4 -7.971 8.713 -3.643 1.00 0.00 O ATOM 0 H SER B 4 -6.142 10.168 -0.938 1.00 0.00 H new ATOM 0 HA SER B 4 -8.698 10.794 -2.233 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.609 8.003 -1.737 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.286 8.374 -2.086 1.00 0.00 H new ATOM 0 HG SER B 4 -8.093 7.810 -4.005 1.00 0.00 H new ATOM 1398 N SER B 5 -9.542 9.468 0.146 1.00 0.00 N ATOM 1399 CA SER B 5 -9.998 9.488 1.498 1.00 0.00 C ATOM 1400 C SER B 5 -10.707 8.189 1.851 1.00 0.00 C ATOM 1401 O SER B 5 -11.206 7.483 0.969 1.00 0.00 O ATOM 1402 CB SER B 5 -10.890 10.711 1.710 1.00 0.00 C ATOM 1403 OG SER B 5 -11.810 10.849 0.640 1.00 0.00 O ATOM 0 H SER B 5 -10.103 8.896 -0.485 1.00 0.00 H new ATOM 0 HA SER B 5 -9.145 9.567 2.172 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.431 10.615 2.652 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.275 11.608 1.786 1.00 0.00 H new ATOM 0 HG SER B 5 -11.900 9.992 0.173 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.693 7.858 3.113 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.359 6.670 3.616 1.00 0.00 C ATOM 1411 C VAL B 6 -12.819 6.976 3.796 1.00 0.00 C ATOM 1412 O VAL B 6 -13.168 7.912 4.501 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.778 6.243 4.981 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.464 5.004 5.512 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.307 6.010 4.863 1.00 0.00 C ATOM 0 H VAL B 6 -10.218 8.403 3.833 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.211 5.860 2.902 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.957 7.052 5.690 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -11.030 4.732 6.474 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.528 5.203 5.637 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.329 4.183 4.808 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.907 5.709 5.832 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.121 5.222 4.133 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.818 6.928 4.538 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.666 6.226 3.178 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.061 6.476 3.295 1.00 0.00 C ATOM 1427 C LYS B 7 -15.687 5.305 4.068 1.00 0.00 C ATOM 1428 O LYS B 7 -15.024 4.288 4.286 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.653 6.653 1.900 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.023 7.763 1.072 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.349 9.143 1.609 1.00 0.00 C ATOM 1432 CE LYS B 7 -14.742 10.206 0.710 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.192 11.579 1.029 1.00 0.00 N ATOM 0 H LYS B 7 -13.416 5.434 2.586 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.268 7.393 3.846 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.553 5.713 1.357 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.720 6.853 1.997 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.941 7.630 1.054 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.371 7.686 0.042 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.430 9.275 1.664 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.963 9.248 2.623 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.656 10.161 0.790 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.995 9.981 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.555 12.267 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.159 11.719 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.178 11.718 2.060 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.911 5.436 4.502 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.519 4.386 5.307 1.00 0.00 C ATOM 1449 C ARG B 8 -18.481 3.546 4.500 1.00 0.00 C ATOM 1450 O ARG B 8 -19.500 4.035 4.014 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.215 4.950 6.544 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.750 3.879 7.484 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.483 4.487 8.663 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.618 5.302 9.537 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.941 6.528 10.009 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -20.081 7.117 9.620 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -18.114 7.165 10.851 1.00 0.00 N ATOM 0 H ARG B 8 -17.508 6.243 4.321 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.706 3.742 5.641 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.514 5.582 7.089 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.040 5.588 6.227 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.423 3.218 6.938 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.924 3.266 7.845 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.299 5.107 8.293 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.932 3.688 9.253 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.713 4.914 9.804 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -20.705 6.641 8.968 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -20.325 8.041 9.976 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.239 6.725 11.137 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.360 8.089 11.205 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.157 2.302 4.371 1.00 0.00 N ATOM 1472 CA TRP B 9 -18.970 1.352 3.669 1.00 0.00 C ATOM 1473 C TRP B 9 -19.675 0.515 4.709 1.00 0.00 C ATOM 1474 O TRP B 9 -19.092 -0.429 5.269 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.077 0.492 2.771 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.769 -0.484 1.875 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.097 -0.551 1.600 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.159 -1.534 1.100 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.335 -1.527 0.710 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.195 -2.158 0.404 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -16.844 -2.016 0.916 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -18.994 -3.208 -0.437 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.657 -3.060 0.068 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -17.741 -3.647 -0.596 1.00 0.00 C ATOM 0 H TRP B 9 -17.301 1.904 4.758 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.706 1.841 3.031 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.477 1.157 2.151 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.386 -0.061 3.407 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -20.852 0.088 2.034 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.251 -1.755 0.323 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.010 -1.567 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.818 -3.671 -0.959 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.660 -3.442 -0.096 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.559 -4.481 -1.258 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.879 0.923 5.043 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.628 0.241 6.043 1.00 0.00 C ATOM 1497 C GLY B 10 -21.126 0.644 7.391 1.00 0.00 C ATOM 1498 O GLY B 10 -21.228 1.813 7.774 1.00 0.00 O ATOM 0 H GLY B 10 -21.351 1.727 4.629 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.687 0.482 5.949 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.533 -0.837 5.914 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.575 -0.287 8.098 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.955 0.007 9.373 1.00 0.00 C ATOM 1504 C ASN B 11 -18.429 -0.180 9.305 1.00 0.00 C ATOM 1505 O ASN B 11 -17.776 -0.341 10.334 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.539 -0.893 10.471 1.00 0.00 C ATOM 1507 CG ASN B 11 -20.198 -2.374 10.301 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -19.177 -2.851 10.802 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -21.038 -3.105 9.618 1.00 0.00 N ATOM 0 H ASN B 11 -20.535 -1.268 7.822 1.00 0.00 H new ATOM 0 HA ASN B 11 -20.164 1.049 9.613 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.171 -0.554 11.439 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -21.623 -0.778 10.484 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -20.858 -4.100 9.487 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -21.874 -2.680 9.216 1.00 0.00 H new ATOM 1516 N SER B 12 -17.833 -0.113 8.121 1.00 0.00 N ATOM 1517 CA SER B 12 -16.446 -0.376 8.000 1.00 0.00 C ATOM 1518 C SER B 12 -15.798 0.612 7.037 1.00 0.00 C ATOM 1519 O SER B 12 -16.405 1.004 6.039 1.00 0.00 O ATOM 1520 CB SER B 12 -16.232 -1.817 7.539 1.00 0.00 C ATOM 1521 OG SER B 12 -16.833 -2.734 8.457 1.00 0.00 O ATOM 0 H SER B 12 -18.305 0.122 7.248 1.00 0.00 H new ATOM 0 HA SER B 12 -15.971 -0.251 8.973 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.661 -1.954 6.546 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.165 -2.023 7.457 1.00 0.00 H new ATOM 0 HG SER B 12 -16.687 -3.652 8.145 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.614 1.079 7.378 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.834 1.979 6.537 1.00 0.00 C ATOM 1529 C PRO B 13 -13.367 1.289 5.251 1.00 0.00 C ATOM 1530 O PRO B 13 -12.767 0.200 5.285 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.632 2.345 7.416 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.551 1.273 8.442 1.00 0.00 C ATOM 1533 CD PRO B 13 -13.942 0.779 8.644 1.00 0.00 C ATOM 0 HA PRO B 13 -14.412 2.844 6.213 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.716 2.395 6.827 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.767 3.322 7.879 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.897 0.467 8.111 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.136 1.658 9.374 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.958 -0.289 8.861 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.426 1.282 9.481 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.656 1.898 4.137 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.289 1.359 2.868 1.00 0.00 C ATOM 1543 C ALA B 14 -12.698 2.439 1.993 1.00 0.00 C ATOM 1544 O ALA B 14 -13.146 3.598 2.017 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.492 0.726 2.189 1.00 0.00 C ATOM 0 H ALA B 14 -14.155 2.786 4.088 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.537 0.586 3.024 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.193 0.320 1.223 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.882 -0.077 2.814 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.265 1.480 2.042 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.685 2.084 1.264 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.052 2.994 0.336 1.00 0.00 C ATOM 1553 C VAL B 15 -11.362 2.537 -1.079 1.00 0.00 C ATOM 1554 O VAL B 15 -11.379 1.330 -1.355 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.500 3.079 0.556 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.833 3.986 -0.482 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.192 3.600 1.950 1.00 0.00 C ATOM 0 H VAL B 15 -11.266 1.154 1.290 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.448 3.995 0.507 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.099 2.072 0.442 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.759 4.021 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.018 3.592 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.247 4.992 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.112 3.654 2.088 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.623 4.594 2.070 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.620 2.927 2.693 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.657 3.483 -1.940 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.943 3.211 -3.330 1.00 0.00 C ATOM 1569 C ARG B 16 -10.648 3.038 -4.103 1.00 0.00 C ATOM 1570 O ARG B 16 -9.773 3.903 -4.052 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.725 4.361 -3.936 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.137 4.525 -3.434 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.761 5.723 -4.101 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.155 5.947 -3.722 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.767 7.143 -3.753 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.072 8.251 -4.025 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.064 7.231 -3.495 1.00 0.00 N ATOM 0 H ARG B 16 -11.706 4.472 -1.694 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.532 2.296 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.181 5.286 -3.746 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.756 4.226 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.719 3.629 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.139 4.654 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.179 6.610 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.703 5.597 -5.182 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.700 5.142 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.071 8.192 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -16.543 9.156 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.598 6.391 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.528 8.139 -3.519 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.520 1.936 -4.791 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.346 1.672 -5.593 1.00 0.00 C ATOM 1593 C ILE B 17 -9.590 2.089 -7.051 1.00 0.00 C ATOM 1594 O ILE B 17 -10.657 1.794 -7.624 1.00 0.00 O ATOM 1595 CB ILE B 17 -8.867 0.162 -5.493 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.116 -0.124 -4.193 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.014 -0.272 -6.650 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -8.961 -0.138 -2.980 1.00 0.00 C ATOM 0 H ILE B 17 -11.221 1.195 -4.815 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.533 2.276 -5.190 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.790 -0.417 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.617 -1.089 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.336 0.627 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.722 -1.314 -6.516 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.578 -0.169 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.121 0.351 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.342 -0.349 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.440 0.834 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.725 -0.909 -3.078 1.00 0.00 H new ATOM 1610 N PRO B 18 -8.637 2.837 -7.652 1.00 0.00 N ATOM 1611 CA PRO B 18 -8.721 3.243 -9.044 1.00 0.00 C ATOM 1612 C PRO B 18 -8.745 2.033 -9.977 1.00 0.00 C ATOM 1613 O PRO B 18 -7.873 1.133 -9.896 1.00 0.00 O ATOM 1614 CB PRO B 18 -7.449 4.080 -9.282 1.00 0.00 C ATOM 1615 CG PRO B 18 -6.542 3.747 -8.148 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.425 3.369 -6.996 1.00 0.00 C ATOM 0 HA PRO B 18 -9.636 3.800 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -6.989 3.833 -10.239 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -7.677 5.146 -9.303 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -5.875 2.926 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -5.912 4.599 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -6.954 2.622 -6.357 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.654 4.229 -6.366 1.00 0.00 H new ATOM 1624 N ALA B 19 -9.720 2.024 -10.871 1.00 0.00 N ATOM 1625 CA ALA B 19 -9.919 0.948 -11.830 1.00 0.00 C ATOM 1626 C ALA B 19 -8.699 0.772 -12.722 1.00 0.00 C ATOM 1627 O ALA B 19 -8.443 -0.314 -13.226 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.151 1.202 -12.660 1.00 0.00 C ATOM 0 H ALA B 19 -10.406 2.775 -10.953 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.060 0.023 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.284 0.387 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.023 1.261 -12.008 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.038 2.142 -13.201 1.00 0.00 H new ATOM 1634 N THR B 20 -7.941 1.835 -12.877 1.00 0.00 N ATOM 1635 CA THR B 20 -6.723 1.822 -13.648 1.00 0.00 C ATOM 1636 C THR B 20 -5.728 0.775 -13.093 1.00 0.00 C ATOM 1637 O THR B 20 -5.075 0.073 -13.849 1.00 0.00 O ATOM 1638 CB THR B 20 -6.093 3.222 -13.614 1.00 0.00 C ATOM 1639 OG1 THR B 20 -7.114 4.197 -13.935 1.00 0.00 O ATOM 1640 CG2 THR B 20 -4.974 3.327 -14.630 1.00 0.00 C ATOM 0 H THR B 20 -8.158 2.743 -12.465 1.00 0.00 H new ATOM 0 HA THR B 20 -6.957 1.548 -14.677 1.00 0.00 H new ATOM 0 HB THR B 20 -5.684 3.406 -12.621 1.00 0.00 H new ATOM 0 HG1 THR B 20 -6.725 5.096 -13.915 1.00 0.00 H new ATOM 0 HG21 THR B 20 -4.540 4.326 -14.591 1.00 0.00 H new ATOM 0 HG22 THR B 20 -4.205 2.588 -14.403 1.00 0.00 H new ATOM 0 HG23 THR B 20 -5.371 3.142 -15.628 1.00 0.00 H new ATOM 1648 N LEU B 21 -5.682 0.642 -11.766 1.00 0.00 N ATOM 1649 CA LEU B 21 -4.777 -0.306 -11.100 1.00 0.00 C ATOM 1650 C LEU B 21 -5.345 -1.676 -11.130 1.00 0.00 C ATOM 1651 O LEU B 21 -4.618 -2.662 -11.272 1.00 0.00 O ATOM 1652 CB LEU B 21 -4.488 0.119 -9.672 1.00 0.00 C ATOM 1653 CG LEU B 21 -3.373 1.130 -9.479 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.017 0.483 -9.716 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -3.534 2.323 -10.394 1.00 0.00 C ATOM 0 H LEU B 21 -6.264 1.181 -11.125 1.00 0.00 H new ATOM 0 HA LEU B 21 -3.834 -0.308 -11.646 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.402 0.534 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.244 -0.772 -9.093 1.00 0.00 H new ATOM 0 HG LEU B 21 -3.431 1.481 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.230 1.224 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -1.877 -0.336 -9.011 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -1.971 0.097 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -2.716 3.024 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -3.519 1.990 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -4.483 2.816 -10.185 1.00 0.00 H new ATOM 1667 N MET B 22 -6.648 -1.727 -11.014 1.00 0.00 N ATOM 1668 CA MET B 22 -7.413 -2.971 -11.158 1.00 0.00 C ATOM 1669 C MET B 22 -7.022 -3.641 -12.455 1.00 0.00 C ATOM 1670 O MET B 22 -6.711 -4.825 -12.504 1.00 0.00 O ATOM 1671 CB MET B 22 -8.907 -2.670 -11.187 1.00 0.00 C ATOM 1672 CG MET B 22 -9.483 -2.142 -9.892 1.00 0.00 C ATOM 1673 SD MET B 22 -9.571 -3.394 -8.615 1.00 0.00 S ATOM 1674 CE MET B 22 -10.697 -4.551 -9.400 1.00 0.00 C ATOM 0 H MET B 22 -7.225 -0.909 -10.816 1.00 0.00 H new ATOM 0 HA MET B 22 -7.196 -3.624 -10.313 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.099 -1.942 -11.975 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.440 -3.581 -11.458 1.00 0.00 H new ATOM 0 HG2 MET B 22 -8.872 -1.311 -9.539 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.482 -1.747 -10.078 1.00 0.00 H new ATOM 0 HE1 MET B 22 -11.195 -5.148 -8.637 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.442 -4.001 -9.974 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.138 -5.207 -10.067 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.996 -2.845 -13.478 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.602 -3.267 -14.802 1.00 0.00 C ATOM 1686 C GLN B 23 -5.115 -3.415 -14.952 1.00 0.00 C ATOM 1687 O GLN B 23 -4.661 -4.176 -15.782 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.049 -2.261 -15.806 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.520 -2.122 -15.874 1.00 0.00 C ATOM 1690 CD GLN B 23 -8.961 -1.163 -16.950 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.262 -0.203 -17.270 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.100 -1.405 -17.516 1.00 0.00 N ATOM 0 H GLN B 23 -7.253 -1.859 -13.423 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.069 -4.239 -14.962 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.610 -1.294 -15.562 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.671 -2.544 -16.788 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.966 -3.099 -16.058 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.894 -1.778 -14.910 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.653 -2.211 -17.225 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.444 -0.790 -18.253 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.355 -2.722 -14.141 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.915 -2.681 -14.353 1.00 0.00 C ATOM 1703 C ALA B 24 -2.300 -3.973 -13.931 1.00 0.00 C ATOM 1704 O ALA B 24 -1.398 -4.502 -14.568 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.283 -1.519 -13.611 1.00 0.00 C ATOM 0 H ALA B 24 -4.692 -2.186 -13.341 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.730 -2.533 -15.417 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.208 -1.515 -13.789 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.713 -0.583 -13.967 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.474 -1.623 -12.543 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.810 -4.481 -12.868 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.351 -5.709 -12.308 1.00 0.00 C ATOM 1713 C LEU B 25 -3.155 -6.846 -12.873 1.00 0.00 C ATOM 1714 O LEU B 25 -2.697 -7.981 -12.937 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.524 -5.641 -10.817 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.557 -4.762 -10.015 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -0.139 -5.326 -10.023 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -1.534 -3.299 -10.440 1.00 0.00 C ATOM 0 H LEU B 25 -3.574 -4.049 -12.349 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.301 -5.871 -12.550 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.537 -5.292 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.453 -6.656 -10.427 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.952 -4.784 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU B 25 0.515 -4.674 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.141 -6.323 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.223 -5.385 -11.049 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.824 -2.751 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.234 -3.228 -11.485 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.528 -2.869 -10.318 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.343 -6.490 -13.283 1.00 0.00 N ATOM 1731 CA ASN B 26 -5.339 -7.374 -13.889 1.00 0.00 C ATOM 1732 C ASN B 26 -6.025 -8.238 -12.870 1.00 0.00 C ATOM 1733 O ASN B 26 -5.768 -9.436 -12.760 1.00 0.00 O ATOM 1734 CB ASN B 26 -4.842 -8.208 -15.106 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.477 -7.370 -16.323 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -5.328 -7.050 -17.161 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -3.216 -7.035 -16.453 1.00 0.00 N ATOM 0 H ASN B 26 -4.673 -5.528 -13.205 1.00 0.00 H new ATOM 0 HA ASN B 26 -6.074 -6.688 -14.310 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.971 -8.789 -14.804 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -5.618 -8.920 -15.387 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -2.913 -6.495 -17.263 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -2.538 -7.315 -15.744 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.830 -7.605 -12.063 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.628 -8.270 -11.121 1.00 0.00 C ATOM 1746 C LEU B 27 -9.075 -7.871 -11.344 1.00 0.00 C ATOM 1747 O LEU B 27 -9.373 -7.022 -12.212 1.00 0.00 O ATOM 1748 CB LEU B 27 -7.217 -7.918 -9.707 1.00 0.00 C ATOM 1749 CG LEU B 27 -7.413 -6.481 -9.267 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -8.088 -6.464 -7.913 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -6.086 -5.744 -9.216 1.00 0.00 C ATOM 0 H LEU B 27 -6.938 -6.591 -12.057 1.00 0.00 H new ATOM 0 HA LEU B 27 -7.503 -9.345 -11.249 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.773 -8.560 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.162 -8.166 -9.590 1.00 0.00 H new ATOM 0 HG LEU B 27 -8.045 -5.968 -9.992 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -8.232 -5.433 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -9.056 -6.961 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.463 -6.987 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -6.253 -4.715 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.422 -6.239 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.629 -5.748 -10.206 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.947 -8.437 -10.565 1.00 0.00 N ATOM 1764 CA ASN B 28 -11.367 -8.176 -10.643 1.00 0.00 C ATOM 1765 C ASN B 28 -11.953 -8.168 -9.255 1.00 0.00 C ATOM 1766 O ASN B 28 -11.224 -8.192 -8.264 1.00 0.00 O ATOM 1767 CB ASN B 28 -12.106 -9.212 -11.534 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.836 -10.661 -11.154 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -12.508 -11.227 -10.301 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.885 -11.278 -11.813 1.00 0.00 N ATOM 0 H ASN B 28 -9.694 -9.108 -9.840 1.00 0.00 H new ATOM 0 HA ASN B 28 -11.503 -7.200 -11.109 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -13.178 -9.026 -11.476 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -11.811 -9.059 -12.572 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -10.686 -12.260 -11.621 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.344 -10.776 -12.517 1.00 0.00 H new ATOM 1777 N ILE B 29 -13.245 -8.103 -9.186 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.954 -8.097 -7.942 1.00 0.00 C ATOM 1779 C ILE B 29 -13.914 -9.476 -7.285 1.00 0.00 C ATOM 1780 O ILE B 29 -14.024 -10.505 -7.961 1.00 0.00 O ATOM 1781 CB ILE B 29 -15.414 -7.632 -8.172 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.458 -6.140 -8.576 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -16.331 -7.921 -6.973 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.835 -5.190 -7.566 1.00 0.00 C ATOM 0 H ILE B 29 -13.849 -8.052 -10.006 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.468 -7.396 -7.263 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.807 -8.223 -8.999 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.946 -6.021 -9.531 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.497 -5.851 -8.734 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -17.340 -7.573 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.351 -8.994 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.953 -7.402 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.912 -4.167 -7.934 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.361 -5.274 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.785 -5.447 -7.424 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.720 -9.457 -5.971 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.682 -10.622 -5.086 1.00 0.00 C ATOM 1798 C ASP B 30 -12.369 -11.365 -5.274 1.00 0.00 C ATOM 1799 O ASP B 30 -12.250 -12.554 -4.995 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.917 -11.531 -5.292 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.232 -12.389 -4.087 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.668 -11.837 -3.066 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -15.094 -13.628 -4.138 1.00 0.00 O ATOM 0 H ASP B 30 -13.577 -8.583 -5.465 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.729 -10.285 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.782 -10.910 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.746 -12.175 -6.154 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.359 -10.627 -5.709 1.00 0.00 N ATOM 1809 CA ASP B 31 -10.045 -11.175 -5.909 1.00 0.00 C ATOM 1810 C ASP B 31 -9.251 -10.907 -4.654 1.00 0.00 C ATOM 1811 O ASP B 31 -9.343 -9.807 -4.075 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.365 -10.541 -7.131 1.00 0.00 C ATOM 1813 CG ASP B 31 -8.083 -11.246 -7.532 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.010 -10.905 -7.045 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -8.143 -12.181 -8.354 1.00 0.00 O ATOM 0 H ASP B 31 -11.437 -9.634 -5.930 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.106 -12.246 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -10.058 -10.554 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.145 -9.495 -6.915 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.551 -11.904 -4.212 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.779 -11.876 -3.003 1.00 0.00 C ATOM 1822 C GLU B 32 -6.545 -11.001 -3.147 1.00 0.00 C ATOM 1823 O GLU B 32 -5.873 -11.020 -4.179 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.419 -13.312 -2.622 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.459 -13.462 -1.470 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.269 -14.899 -1.095 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -5.650 -15.656 -1.876 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -6.794 -15.314 -0.036 1.00 0.00 O ATOM 0 H GLU B 32 -8.498 -12.797 -4.701 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.371 -11.431 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.338 -13.844 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -6.989 -13.803 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.497 -13.025 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.833 -12.907 -0.609 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.258 -10.220 -2.121 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.122 -9.339 -2.142 1.00 0.00 C ATOM 1837 C VAL B 33 -4.359 -9.452 -0.842 1.00 0.00 C ATOM 1838 O VAL B 33 -4.940 -9.753 0.219 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.487 -7.826 -2.457 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.581 -7.728 -3.489 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.897 -7.038 -1.232 1.00 0.00 C ATOM 0 H VAL B 33 -6.805 -10.184 -1.261 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.491 -9.664 -2.970 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.568 -7.386 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.807 -6.679 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.253 -8.204 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.475 -8.230 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.132 -6.013 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.776 -7.499 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.079 -7.033 -0.512 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.078 -9.253 -0.925 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.236 -9.289 0.227 1.00 0.00 C ATOM 1853 C LYS B 34 -2.079 -7.903 0.769 1.00 0.00 C ATOM 1854 O LYS B 34 -1.889 -6.944 0.004 1.00 0.00 O ATOM 1855 CB LYS B 34 -0.850 -9.815 -0.117 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.803 -11.234 -0.632 1.00 0.00 C ATOM 1857 CD LYS B 34 0.628 -11.705 -0.964 1.00 0.00 C ATOM 1858 CE LYS B 34 1.333 -10.853 -2.041 1.00 0.00 C ATOM 1859 NZ LYS B 34 1.888 -9.567 -1.522 1.00 0.00 N ATOM 0 H LYS B 34 -2.588 -9.060 -1.798 1.00 0.00 H new ATOM 0 HA LYS B 34 -2.700 -9.950 0.959 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.408 -9.160 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.224 -9.749 0.773 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.236 -11.900 0.114 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.422 -11.312 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS B 34 1.226 -11.688 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.590 -12.741 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS B 34 2.142 -11.436 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.625 -10.636 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.782 -9.353 -2.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.207 -8.800 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.062 -9.651 -0.500 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.191 -7.790 2.045 1.00 0.00 N ATOM 1874 CA ILE B 35 -1.924 -6.572 2.713 1.00 0.00 C ATOM 1875 C ILE B 35 -0.646 -6.786 3.478 1.00 0.00 C ATOM 1876 O ILE B 35 -0.621 -7.520 4.472 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.069 -6.101 3.691 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -4.382 -5.745 2.959 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -2.616 -4.918 4.531 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.159 -6.910 2.409 1.00 0.00 C ATOM 0 H ILE B 35 -2.475 -8.553 2.660 1.00 0.00 H new ATOM 0 HA ILE B 35 -1.850 -5.776 1.972 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.277 -6.952 4.339 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.024 -5.197 3.649 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.146 -5.069 2.137 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -3.424 -4.613 5.196 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -1.747 -5.204 5.123 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.352 -4.087 3.877 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.061 -6.546 1.916 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -4.544 -7.449 1.688 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -5.436 -7.580 3.223 1.00 0.00 H new ATOM 1892 N ASP B 36 0.408 -6.230 2.993 1.00 0.00 N ATOM 1893 CA ASP B 36 1.683 -6.373 3.635 1.00 0.00 C ATOM 1894 C ASP B 36 1.903 -5.132 4.473 1.00 0.00 C ATOM 1895 O ASP B 36 1.712 -4.013 3.997 1.00 0.00 O ATOM 1896 CB ASP B 36 2.829 -6.599 2.609 1.00 0.00 C ATOM 1897 CG ASP B 36 2.717 -7.892 1.801 1.00 0.00 C ATOM 1898 OD1 ASP B 36 3.203 -8.952 2.262 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.200 -7.867 0.655 1.00 0.00 O ATOM 0 H ASP B 36 0.420 -5.664 2.144 1.00 0.00 H new ATOM 0 HA ASP B 36 1.690 -7.260 4.269 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.852 -5.756 1.919 1.00 0.00 H new ATOM 0 HB3 ASP B 36 3.780 -6.601 3.142 1.00 0.00 H new ATOM 1904 N LEU B 37 2.232 -5.308 5.716 1.00 0.00 N ATOM 1905 CA LEU B 37 2.313 -4.253 6.606 1.00 0.00 C ATOM 1906 C LEU B 37 3.764 -3.892 6.815 1.00 0.00 C ATOM 1907 O LEU B 37 4.616 -4.758 7.034 1.00 0.00 O ATOM 1908 CB LEU B 37 1.618 -4.687 7.896 1.00 0.00 C ATOM 1909 CG LEU B 37 1.328 -3.641 8.963 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.571 -3.297 9.738 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.711 -2.412 8.332 1.00 0.00 C ATOM 0 H LEU B 37 2.451 -6.218 6.122 1.00 0.00 H new ATOM 0 HA LEU B 37 1.817 -3.358 6.231 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.670 -5.148 7.620 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.229 -5.464 8.354 1.00 0.00 H new ATOM 0 HG LEU B 37 0.612 -4.057 9.672 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.333 -2.548 10.493 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.956 -4.193 10.225 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.325 -2.901 9.058 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.507 -1.670 9.104 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.401 -1.994 7.599 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.221 -2.686 7.837 1.00 0.00 H new ATOM 1923 N VAL B 38 4.030 -2.630 6.719 1.00 0.00 N ATOM 1924 CA VAL B 38 5.376 -2.084 6.885 1.00 0.00 C ATOM 1925 C VAL B 38 5.274 -0.701 7.544 1.00 0.00 C ATOM 1926 O VAL B 38 4.741 0.210 6.951 1.00 0.00 O ATOM 1927 CB VAL B 38 6.135 -1.906 5.512 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.564 -1.451 5.743 1.00 0.00 C ATOM 1929 CG2 VAL B 38 6.129 -3.172 4.661 1.00 0.00 C ATOM 0 H VAL B 38 3.322 -1.923 6.521 1.00 0.00 H new ATOM 0 HA VAL B 38 5.936 -2.791 7.497 1.00 0.00 H new ATOM 0 HB VAL B 38 5.591 -1.140 4.959 1.00 0.00 H new ATOM 0 HG11 VAL B 38 8.068 -1.335 4.784 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.561 -0.497 6.270 1.00 0.00 H new ATOM 0 HG13 VAL B 38 8.090 -2.194 6.342 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.666 -2.987 3.730 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.617 -3.980 5.207 1.00 0.00 H new ATOM 0 HG23 VAL B 38 5.100 -3.455 4.437 1.00 0.00 H new ATOM 1939 N ASP B 39 5.716 -0.586 8.795 1.00 0.00 N ATOM 1940 CA ASP B 39 5.757 0.707 9.574 1.00 0.00 C ATOM 1941 C ASP B 39 4.375 1.303 9.804 1.00 0.00 C ATOM 1942 O ASP B 39 4.227 2.494 10.127 1.00 0.00 O ATOM 1943 CB ASP B 39 6.668 1.768 8.905 1.00 0.00 C ATOM 1944 CG ASP B 39 8.130 1.419 8.960 1.00 0.00 C ATOM 1945 OD1 ASP B 39 8.787 1.713 9.982 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.651 0.840 7.995 1.00 0.00 O ATOM 0 H ASP B 39 6.066 -1.383 9.327 1.00 0.00 H new ATOM 0 HA ASP B 39 6.179 0.440 10.543 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.369 1.888 7.864 1.00 0.00 H new ATOM 0 HB3 ASP B 39 6.513 2.730 9.394 1.00 0.00 H new ATOM 1951 N GLY B 40 3.375 0.469 9.715 1.00 0.00 N ATOM 1952 CA GLY B 40 2.005 0.920 9.886 1.00 0.00 C ATOM 1953 C GLY B 40 1.411 1.408 8.579 1.00 0.00 C ATOM 1954 O GLY B 40 0.260 1.811 8.522 1.00 0.00 O ATOM 0 H GLY B 40 3.475 -0.528 9.525 1.00 0.00 H new ATOM 0 HA2 GLY B 40 1.399 0.104 10.279 1.00 0.00 H new ATOM 0 HA3 GLY B 40 1.975 1.723 10.622 1.00 0.00 H new ATOM 1958 N LYS B 41 2.204 1.357 7.537 1.00 0.00 N ATOM 1959 CA LYS B 41 1.806 1.764 6.234 1.00 0.00 C ATOM 1960 C LYS B 41 1.175 0.544 5.581 1.00 0.00 C ATOM 1961 O LYS B 41 1.734 -0.568 5.653 1.00 0.00 O ATOM 1962 CB LYS B 41 3.063 2.181 5.487 1.00 0.00 C ATOM 1963 CG LYS B 41 2.889 2.813 4.130 1.00 0.00 C ATOM 1964 CD LYS B 41 4.226 2.794 3.381 1.00 0.00 C ATOM 1965 CE LYS B 41 5.347 3.595 4.063 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.109 5.049 4.068 1.00 0.00 N ATOM 0 H LYS B 41 3.166 1.021 7.585 1.00 0.00 H new ATOM 0 HA LYS B 41 1.100 2.595 6.238 1.00 0.00 H new ATOM 0 HB2 LYS B 41 3.611 2.882 6.117 1.00 0.00 H new ATOM 0 HB3 LYS B 41 3.692 1.299 5.369 1.00 0.00 H new ATOM 0 HG2 LYS B 41 2.133 2.273 3.560 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.535 3.838 4.237 1.00 0.00 H new ATOM 0 HD2 LYS B 41 4.551 1.760 3.269 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.072 3.190 2.377 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.457 3.249 5.091 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.290 3.391 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 5.963 5.539 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 4.881 5.367 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 4.314 5.268 4.702 1.00 0.00 H new ATOM 1980 N LEU B 42 0.040 0.732 4.988 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.708 -0.349 4.393 1.00 0.00 C ATOM 1982 C LEU B 42 -0.352 -0.561 2.959 1.00 0.00 C ATOM 1983 O LEU B 42 -0.577 0.285 2.107 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.202 -0.126 4.556 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.724 -0.339 5.958 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.111 0.263 6.115 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.771 -1.826 6.271 1.00 0.00 C ATOM 0 H LEU B 42 -0.405 1.645 4.898 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.434 -1.260 4.926 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.440 0.891 4.245 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.731 -0.797 3.880 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.050 0.158 6.655 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.466 0.098 7.132 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.068 1.334 5.915 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.795 -0.210 5.410 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.148 -1.973 7.283 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.430 -2.326 5.562 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.768 -2.246 6.193 1.00 0.00 H new ATOM 1999 N ILE B 43 0.237 -1.663 2.713 1.00 0.00 N ATOM 2000 CA ILE B 43 0.599 -2.055 1.383 1.00 0.00 C ATOM 2001 C ILE B 43 -0.447 -2.994 0.836 1.00 0.00 C ATOM 2002 O ILE B 43 -0.736 -4.043 1.405 1.00 0.00 O ATOM 2003 CB ILE B 43 2.022 -2.685 1.318 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.138 -1.639 1.299 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.193 -3.644 0.158 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.139 -0.685 2.451 1.00 0.00 C ATOM 0 H ILE B 43 0.492 -2.340 3.432 1.00 0.00 H new ATOM 0 HA ILE B 43 0.638 -1.161 0.761 1.00 0.00 H new ATOM 0 HB ILE B 43 2.111 -3.256 2.242 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.097 -2.156 1.276 1.00 0.00 H new ATOM 0 HG13 ILE B 43 3.061 -1.067 0.375 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.205 -4.049 0.167 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.475 -4.459 0.251 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.023 -3.115 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE B 43 3.968 0.015 2.343 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.199 -0.134 2.468 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.251 -1.240 3.383 1.00 0.00 H new ATOM 2018 N ILE B 44 -1.012 -2.580 -0.225 1.00 0.00 N ATOM 2019 CA ILE B 44 -2.054 -3.302 -0.918 1.00 0.00 C ATOM 2020 C ILE B 44 -1.491 -3.871 -2.214 1.00 0.00 C ATOM 2021 O ILE B 44 -1.059 -3.121 -3.102 1.00 0.00 O ATOM 2022 CB ILE B 44 -3.258 -2.366 -1.258 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.857 -1.719 0.008 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -4.335 -3.099 -2.061 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.372 -2.696 1.043 1.00 0.00 C ATOM 0 H ILE B 44 -0.768 -1.696 -0.671 1.00 0.00 H new ATOM 0 HA ILE B 44 -2.407 -4.103 -0.268 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.866 -1.564 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.097 -1.090 0.471 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.675 -1.063 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -5.156 -2.415 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.908 -3.462 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.710 -3.943 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.773 -2.146 1.895 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -5.159 -3.310 0.604 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.556 -3.337 1.377 1.00 0.00 H new ATOM 2037 N GLU B 45 -1.464 -5.169 -2.318 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.969 -5.812 -3.502 1.00 0.00 C ATOM 2039 C GLU B 45 -1.837 -7.012 -3.866 1.00 0.00 C ATOM 2040 O GLU B 45 -1.893 -7.990 -3.101 1.00 0.00 O ATOM 2041 CB GLU B 45 0.472 -6.243 -3.274 1.00 0.00 C ATOM 2042 CG GLU B 45 1.132 -6.923 -4.444 1.00 0.00 C ATOM 2043 CD GLU B 45 2.583 -7.133 -4.179 1.00 0.00 C ATOM 2044 OE1 GLU B 45 2.924 -7.834 -3.207 1.00 0.00 O ATOM 2045 OE2 GLU B 45 3.422 -6.593 -4.911 1.00 0.00 O ATOM 0 H GLU B 45 -1.782 -5.808 -1.590 1.00 0.00 H new ATOM 0 HA GLU B 45 -1.007 -5.109 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.059 -5.364 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.501 -6.918 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.649 -7.882 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.005 -6.318 -5.342 1.00 0.00 H new ATOM 2052 N PRO B 46 -2.601 -6.921 -4.987 1.00 0.00 N ATOM 2053 CA PRO B 46 -3.367 -8.031 -5.549 1.00 0.00 C ATOM 2054 C PRO B 46 -2.576 -9.312 -5.669 1.00 0.00 C ATOM 2055 O PRO B 46 -1.339 -9.310 -5.786 1.00 0.00 O ATOM 2056 CB PRO B 46 -3.687 -7.565 -6.962 1.00 0.00 C ATOM 2057 CG PRO B 46 -2.912 -6.338 -7.135 1.00 0.00 C ATOM 2058 CD PRO B 46 -2.841 -5.729 -5.782 1.00 0.00 C ATOM 0 HA PRO B 46 -4.223 -8.254 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -3.407 -8.317 -7.700 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -4.754 -7.380 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.916 -6.552 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -3.393 -5.665 -7.845 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -2.036 -4.999 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -3.764 -5.220 -5.504 1.00 0.00 H new ATOM 2066 N VAL B 47 -3.270 -10.377 -5.706 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.643 -11.658 -5.849 1.00 0.00 C ATOM 2068 C VAL B 47 -2.929 -12.141 -7.223 1.00 0.00 C ATOM 2069 O VAL B 47 -3.972 -12.735 -7.482 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.118 -12.725 -4.852 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.271 -13.945 -4.972 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.083 -12.236 -3.442 1.00 0.00 C ATOM 0 H VAL B 47 -4.287 -10.404 -5.640 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.581 -11.515 -5.649 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.154 -12.959 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.614 -14.697 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.345 -14.341 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.233 -13.690 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.428 -13.026 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.063 -11.958 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.733 -11.367 -3.342 1.00 0.00 H new