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 11 ASN : amide:sc= 0.269 K(o=1.3,f=-1.5!) USER MOD Set 1.2: B 12 SER OG : rot 42:sc= 1.04 USER MOD Set 2.1: B 5 SER OG : rot -130:sc= 1.04 USER MOD Set 2.2: B 7 LYS NZ :NH3+ 157:sc= 2.3 (180deg=-0.0974) USER MOD Set 3.1: A 11 ASN : amide:sc= 0.322 K(o=1.4,f=-1.9!) USER MOD Set 3.2: A 12 SER OG : rot 46:sc= 1.09 USER MOD Set 4.1: A 5 SER OG : rot -110:sc= 1.07 USER MOD Set 4.2: A 7 LYS NZ :NH3+ 163:sc= 2.37 (180deg=0.657) USER MOD Single : A 3 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 22 MET CE :methyl -166:sc= -0.89 (180deg=-1.44!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 26 ASN : amide:sc=-0.00978 K(o=-0.0098,f=-0.54) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 1.89 (180deg=1.77) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 1.31 (180deg=1.13) USER MOD Single : B 3 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : B 4 SER OG : rot -170:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : B 22 MET CE :methyl -169:sc= -0.894 (180deg=-1.41!) USER MOD Single : B 23 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.1) USER MOD Single : B 26 ASN : amide:sc= -0.0176 K(o=-0.018,f=-0.52) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -175:sc= 1.49 (180deg=1.33) USER MOD Single : B 41 LYS NZ :NH3+ -147:sc= 1.25 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.487 -9.754 6.199 1.00 0.00 N ATOM 280 CA ILE A 2 -3.920 -9.798 6.218 1.00 0.00 C ATOM 281 C ILE A 2 -4.368 -10.066 4.793 1.00 0.00 C ATOM 282 O ILE A 2 -4.075 -9.277 3.895 1.00 0.00 O ATOM 283 CB ILE A 2 -4.544 -8.454 6.710 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.980 -8.056 8.091 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.067 -8.571 6.776 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.458 -6.710 8.599 1.00 0.00 C ATOM 0 HA ILE A 2 -4.250 -10.573 6.909 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.279 -7.674 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.254 -8.822 8.816 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.891 -8.044 8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.490 -7.627 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.457 -8.803 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.341 -9.366 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.013 -6.510 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.161 -5.930 7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.544 -6.721 8.691 1.00 0.00 H new ATOM 298 N HIS A 3 -5.031 -11.168 4.563 1.00 0.00 N ATOM 299 CA HIS A 3 -5.478 -11.465 3.224 1.00 0.00 C ATOM 300 C HIS A 3 -6.909 -11.000 3.040 1.00 0.00 C ATOM 301 O HIS A 3 -7.869 -11.616 3.513 1.00 0.00 O ATOM 302 CB HIS A 3 -5.217 -12.944 2.759 1.00 0.00 C ATOM 303 CG HIS A 3 -5.912 -14.057 3.515 1.00 0.00 C ATOM 304 ND1 HIS A 3 -7.037 -14.707 3.051 1.00 0.00 N ATOM 305 CD2 HIS A 3 -5.592 -14.668 4.687 1.00 0.00 C ATOM 306 CE1 HIS A 3 -7.365 -15.652 3.926 1.00 0.00 C ATOM 307 NE2 HIS A 3 -6.517 -15.676 4.942 1.00 0.00 N ATOM 0 H HIS A 3 -5.271 -11.864 5.269 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.852 -10.892 2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.505 -13.021 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.143 -13.126 2.808 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -7.532 -14.498 2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.754 -14.412 5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.212 -16.314 3.822 1.00 0.00 H new ATOM 315 N SER A 4 -7.019 -9.887 2.403 1.00 0.00 N ATOM 316 CA SER A 4 -8.254 -9.207 2.176 1.00 0.00 C ATOM 317 C SER A 4 -8.686 -9.358 0.722 1.00 0.00 C ATOM 318 O SER A 4 -8.178 -10.217 0.014 1.00 0.00 O ATOM 319 CB SER A 4 -8.054 -7.745 2.545 1.00 0.00 C ATOM 320 OG SER A 4 -8.006 -7.570 3.951 1.00 0.00 O ATOM 0 H SER A 4 -6.215 -9.400 2.006 1.00 0.00 H new ATOM 0 HA SER A 4 -9.046 -9.636 2.790 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.129 -7.379 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.866 -7.149 2.130 1.00 0.00 H new ATOM 0 HG SER A 4 -7.875 -6.621 4.158 1.00 0.00 H new ATOM 326 N SER A 5 -9.609 -8.539 0.288 1.00 0.00 N ATOM 327 CA SER A 5 -10.129 -8.617 -1.034 1.00 0.00 C ATOM 328 C SER A 5 -10.735 -7.286 -1.440 1.00 0.00 C ATOM 329 O SER A 5 -10.850 -6.366 -0.621 1.00 0.00 O ATOM 330 CB SER A 5 -11.140 -9.752 -1.134 1.00 0.00 C ATOM 331 OG SER A 5 -12.116 -9.647 -0.112 1.00 0.00 O ATOM 0 H SER A 5 -10.018 -7.796 0.855 1.00 0.00 H new ATOM 0 HA SER A 5 -9.317 -8.834 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.625 -9.728 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.627 -10.710 -1.056 1.00 0.00 H new ATOM 0 HG SER A 5 -11.990 -10.371 0.536 1.00 0.00 H new ATOM 337 N VAL A 6 -11.097 -7.186 -2.684 1.00 0.00 N ATOM 338 CA VAL A 6 -11.632 -5.986 -3.250 1.00 0.00 C ATOM 339 C VAL A 6 -13.031 -6.273 -3.663 1.00 0.00 C ATOM 340 O VAL A 6 -13.256 -7.141 -4.489 1.00 0.00 O ATOM 341 CB VAL A 6 -10.833 -5.567 -4.511 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.399 -4.304 -5.134 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.381 -5.378 -4.174 1.00 0.00 C ATOM 0 H VAL A 6 -11.026 -7.956 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.577 -5.182 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.924 -6.370 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.815 -4.040 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.436 -4.474 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.354 -3.490 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.835 -5.084 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.281 -4.600 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.972 -6.313 -3.790 1.00 0.00 H new ATOM 353 N LYS A 7 -13.961 -5.606 -3.102 1.00 0.00 N ATOM 354 CA LYS A 7 -15.318 -5.811 -3.495 1.00 0.00 C ATOM 355 C LYS A 7 -15.850 -4.559 -4.159 1.00 0.00 C ATOM 356 O LYS A 7 -15.168 -3.549 -4.189 1.00 0.00 O ATOM 357 CB LYS A 7 -16.212 -6.274 -2.353 1.00 0.00 C ATOM 358 CG LYS A 7 -16.315 -7.796 -2.124 1.00 0.00 C ATOM 359 CD LYS A 7 -15.078 -8.511 -1.604 1.00 0.00 C ATOM 360 CE LYS A 7 -15.496 -9.932 -1.180 1.00 0.00 C ATOM 361 NZ LYS A 7 -14.372 -10.833 -0.884 1.00 0.00 N ATOM 0 H LYS A 7 -13.820 -4.911 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.333 -6.629 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.852 -5.815 -1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.216 -5.888 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.129 -7.977 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.600 -8.260 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.309 -8.554 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.652 -7.970 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.132 -9.862 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.099 -10.372 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.716 -11.651 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.947 -11.161 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.657 -10.324 -0.326 1.00 0.00 H new ATOM 375 N ARG A 8 -17.033 -4.610 -4.699 1.00 0.00 N ATOM 376 CA ARG A 8 -17.556 -3.472 -5.417 1.00 0.00 C ATOM 377 C ARG A 8 -18.577 -2.711 -4.589 1.00 0.00 C ATOM 378 O ARG A 8 -19.642 -3.242 -4.233 1.00 0.00 O ATOM 379 CB ARG A 8 -18.173 -3.889 -6.726 1.00 0.00 C ATOM 380 CG ARG A 8 -18.285 -2.741 -7.701 1.00 0.00 C ATOM 381 CD ARG A 8 -19.019 -3.151 -8.940 1.00 0.00 C ATOM 382 NE ARG A 8 -18.370 -4.260 -9.664 1.00 0.00 N ATOM 383 CZ ARG A 8 -17.945 -4.222 -10.949 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.072 -3.108 -11.684 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.415 -5.312 -11.498 1.00 0.00 N ATOM 0 H ARG A 8 -17.654 -5.418 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.713 -2.811 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.573 -4.683 -7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.164 -4.304 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.804 -1.908 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.289 -2.387 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.033 -3.446 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.102 -2.292 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.229 -5.131 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.494 -2.273 -11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.747 -3.095 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.331 -6.169 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.093 -5.291 -12.466 1.00 0.00 H new ATOM 399 N TRP A 9 -18.254 -1.494 -4.285 1.00 0.00 N ATOM 400 CA TRP A 9 -19.116 -0.604 -3.558 1.00 0.00 C ATOM 401 C TRP A 9 -19.585 0.438 -4.540 1.00 0.00 C ATOM 402 O TRP A 9 -18.840 1.368 -4.885 1.00 0.00 O ATOM 403 CB TRP A 9 -18.319 0.013 -2.413 1.00 0.00 C ATOM 404 CG TRP A 9 -19.035 0.974 -1.518 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.365 1.036 -1.269 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.438 2.015 -0.717 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.618 2.014 -0.362 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.481 2.640 -0.037 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.127 2.489 -0.506 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.284 3.688 0.816 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.945 3.538 0.345 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.032 4.124 0.988 1.00 0.00 C ATOM 0 H TRP A 9 -17.359 -1.076 -4.541 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.979 -1.111 -3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.932 -0.798 -1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.458 0.527 -2.840 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.112 0.402 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.539 2.238 0.016 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.287 2.032 -1.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.112 4.149 1.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.950 3.918 0.522 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.858 4.960 1.649 1.00 0.00 H new ATOM 423 N GLY A 10 -20.775 0.239 -5.059 1.00 0.00 N ATOM 424 CA GLY A 10 -21.270 1.093 -6.086 1.00 0.00 C ATOM 425 C GLY A 10 -20.540 0.789 -7.359 1.00 0.00 C ATOM 426 O GLY A 10 -20.427 -0.374 -7.740 1.00 0.00 O ATOM 0 H GLY A 10 -21.409 -0.509 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.341 0.941 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.128 2.138 -5.809 1.00 0.00 H new ATOM 430 N ASN A 11 -20.018 1.784 -7.999 1.00 0.00 N ATOM 431 CA ASN A 11 -19.206 1.546 -9.184 1.00 0.00 C ATOM 432 C ASN A 11 -17.719 1.519 -8.820 1.00 0.00 C ATOM 433 O ASN A 11 -16.863 1.524 -9.708 1.00 0.00 O ATOM 434 CB ASN A 11 -19.424 2.637 -10.253 1.00 0.00 C ATOM 435 CG ASN A 11 -18.846 4.010 -9.873 1.00 0.00 C ATOM 436 OD1 ASN A 11 -18.794 4.384 -8.699 1.00 0.00 O ATOM 437 ND2 ASN A 11 -18.392 4.757 -10.856 1.00 0.00 N ATOM 0 H ASN A 11 -20.128 2.764 -7.739 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.514 0.582 -9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -18.971 2.310 -11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.493 2.743 -10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.984 5.670 -10.656 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.448 4.423 -11.818 1.00 0.00 H new ATOM 444 N SER A 12 -17.389 1.426 -7.537 1.00 0.00 N ATOM 445 CA SER A 12 -16.047 1.592 -7.160 1.00 0.00 C ATOM 446 C SER A 12 -15.555 0.383 -6.403 1.00 0.00 C ATOM 447 O SER A 12 -16.222 -0.093 -5.481 1.00 0.00 O ATOM 448 CB SER A 12 -15.916 2.837 -6.298 1.00 0.00 C ATOM 449 OG SER A 12 -16.456 3.982 -6.954 1.00 0.00 O ATOM 0 H SER A 12 -18.040 1.239 -6.775 1.00 0.00 H new ATOM 0 HA SER A 12 -15.438 1.704 -8.057 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.432 2.681 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.866 3.011 -6.064 1.00 0.00 H new ATOM 0 HG SER A 12 -17.329 3.758 -7.338 1.00 0.00 H new ATOM 455 N PRO A 13 -14.447 -0.176 -6.837 1.00 0.00 N ATOM 456 CA PRO A 13 -13.780 -1.219 -6.102 1.00 0.00 C ATOM 457 C PRO A 13 -13.346 -0.674 -4.735 1.00 0.00 C ATOM 458 O PRO A 13 -12.690 0.369 -4.646 1.00 0.00 O ATOM 459 CB PRO A 13 -12.562 -1.588 -6.952 1.00 0.00 C ATOM 460 CG PRO A 13 -12.619 -0.760 -8.194 1.00 0.00 C ATOM 461 CD PRO A 13 -13.789 0.165 -8.094 1.00 0.00 C ATOM 0 HA PRO A 13 -14.416 -2.086 -5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.639 -1.396 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.572 -2.650 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.696 -0.192 -8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.716 -1.399 -9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.468 1.207 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.465 0.036 -8.939 1.00 0.00 H new ATOM 469 N ALA A 14 -13.750 -1.335 -3.698 1.00 0.00 N ATOM 470 CA ALA A 14 -13.490 -0.898 -2.372 1.00 0.00 C ATOM 471 C ALA A 14 -12.760 -1.967 -1.587 1.00 0.00 C ATOM 472 O ALA A 14 -13.055 -3.169 -1.716 1.00 0.00 O ATOM 473 CB ALA A 14 -14.791 -0.533 -1.697 1.00 0.00 C ATOM 0 H ALA A 14 -14.277 -2.206 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.849 -0.017 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.591 -0.198 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.278 0.268 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.444 -1.405 -1.670 1.00 0.00 H new ATOM 479 N VAL A 15 -11.808 -1.537 -0.799 1.00 0.00 N ATOM 480 CA VAL A 15 -11.029 -2.420 0.038 1.00 0.00 C ATOM 481 C VAL A 15 -11.502 -2.270 1.459 1.00 0.00 C ATOM 482 O VAL A 15 -11.645 -1.145 1.944 1.00 0.00 O ATOM 483 CB VAL A 15 -9.500 -2.115 -0.042 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.701 -3.028 0.887 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.004 -2.281 -1.466 1.00 0.00 C ATOM 0 H VAL A 15 -11.547 -0.554 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.171 -3.441 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.352 -1.083 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.640 -2.790 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.030 -2.879 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.862 -4.068 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.936 -2.065 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.180 -3.305 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.539 -1.592 -2.120 1.00 0.00 H new ATOM 495 N ARG A 16 -11.778 -3.378 2.102 1.00 0.00 N ATOM 496 CA ARG A 16 -12.234 -3.370 3.464 1.00 0.00 C ATOM 497 C ARG A 16 -11.055 -3.268 4.421 1.00 0.00 C ATOM 498 O ARG A 16 -10.288 -4.231 4.583 1.00 0.00 O ATOM 499 CB ARG A 16 -13.037 -4.624 3.762 1.00 0.00 C ATOM 500 CG ARG A 16 -14.294 -4.721 2.960 1.00 0.00 C ATOM 501 CD ARG A 16 -15.145 -5.871 3.394 1.00 0.00 C ATOM 502 NE ARG A 16 -15.659 -5.678 4.756 1.00 0.00 N ATOM 503 CZ ARG A 16 -15.759 -6.628 5.685 1.00 0.00 C ATOM 504 NH1 ARG A 16 -15.503 -7.900 5.379 1.00 0.00 N ATOM 505 NH2 ARG A 16 -16.148 -6.303 6.908 1.00 0.00 N ATOM 0 H ARG A 16 -11.692 -4.309 1.693 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.875 -2.500 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.419 -5.500 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.288 -4.644 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.859 -3.794 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.044 -4.832 1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.979 -5.988 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.563 -6.792 3.351 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.965 -4.739 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.229 -8.151 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.581 -8.622 6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.368 -5.333 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.228 -7.023 7.626 1.00 0.00 H new ATOM 519 N ILE A 17 -10.899 -2.124 5.032 1.00 0.00 N ATOM 520 CA ILE A 17 -9.809 -1.895 5.953 1.00 0.00 C ATOM 521 C ILE A 17 -10.258 -2.338 7.336 1.00 0.00 C ATOM 522 O ILE A 17 -11.333 -1.937 7.795 1.00 0.00 O ATOM 523 CB ILE A 17 -9.386 -0.381 6.032 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.987 0.184 4.656 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.244 -0.170 7.031 1.00 0.00 C ATOM 526 CD1 ILE A 17 -7.849 -0.527 3.951 1.00 0.00 C ATOM 0 H ILE A 17 -11.520 -1.324 4.908 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.948 -2.460 5.597 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.263 0.164 6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.862 0.159 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.713 1.232 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.977 0.886 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.564 -0.491 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.378 -0.755 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.656 -0.044 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.952 -0.480 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.120 -1.569 3.783 1.00 0.00 H new ATOM 538 N PRO A 18 -9.489 -3.204 8.001 1.00 0.00 N ATOM 539 CA PRO A 18 -9.805 -3.617 9.351 1.00 0.00 C ATOM 540 C PRO A 18 -9.756 -2.416 10.306 1.00 0.00 C ATOM 541 O PRO A 18 -8.785 -1.627 10.295 1.00 0.00 O ATOM 542 CB PRO A 18 -8.715 -4.636 9.705 1.00 0.00 C ATOM 543 CG PRO A 18 -7.636 -4.442 8.694 1.00 0.00 C ATOM 544 CD PRO A 18 -8.281 -3.857 7.477 1.00 0.00 C ATOM 0 HA PRO A 18 -10.807 -4.038 9.435 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.339 -4.472 10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.105 -5.653 9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.862 -3.778 9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.153 -5.390 8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.624 -3.143 6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.527 -4.627 6.746 1.00 0.00 H new ATOM 552 N ALA A 19 -10.783 -2.286 11.131 1.00 0.00 N ATOM 553 CA ALA A 19 -10.918 -1.161 12.059 1.00 0.00 C ATOM 554 C ALA A 19 -9.754 -1.128 13.040 1.00 0.00 C ATOM 555 O ALA A 19 -9.345 -0.070 13.500 1.00 0.00 O ATOM 556 CB ALA A 19 -12.244 -1.236 12.799 1.00 0.00 C ATOM 0 H ALA A 19 -11.551 -2.956 11.180 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.900 -0.237 11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.327 -0.392 13.484 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.064 -1.202 12.081 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.294 -2.167 13.363 1.00 0.00 H new ATOM 562 N THR A 20 -9.203 -2.295 13.302 1.00 0.00 N ATOM 563 CA THR A 20 -8.060 -2.474 14.163 1.00 0.00 C ATOM 564 C THR A 20 -6.857 -1.643 13.645 1.00 0.00 C ATOM 565 O THR A 20 -6.153 -1.005 14.414 1.00 0.00 O ATOM 566 CB THR A 20 -7.688 -3.956 14.138 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.897 -4.734 14.219 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.778 -4.319 15.301 1.00 0.00 C ATOM 0 H THR A 20 -9.551 -3.169 12.908 1.00 0.00 H new ATOM 0 HA THR A 20 -8.301 -2.143 15.173 1.00 0.00 H new ATOM 0 HB THR A 20 -7.152 -4.167 13.212 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.674 -5.688 14.202 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.532 -5.380 15.253 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.862 -3.732 15.243 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.287 -4.106 16.241 1.00 0.00 H new ATOM 576 N LEU A 21 -6.687 -1.622 12.325 1.00 0.00 N ATOM 577 CA LEU A 21 -5.577 -0.916 11.680 1.00 0.00 C ATOM 578 C LEU A 21 -5.848 0.538 11.604 1.00 0.00 C ATOM 579 O LEU A 21 -4.946 1.355 11.693 1.00 0.00 O ATOM 580 CB LEU A 21 -5.311 -1.477 10.296 1.00 0.00 C ATOM 581 CG LEU A 21 -4.399 -2.692 10.220 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.961 -2.287 10.500 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.824 -3.779 11.197 1.00 0.00 C ATOM 0 H LEU A 21 -7.313 -2.093 11.671 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.686 -1.067 12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.268 -1.740 9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.877 -0.686 9.685 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.477 -3.096 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.318 -3.165 10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.639 -1.553 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.893 -1.852 11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.148 -4.630 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.789 -3.388 12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.840 -4.099 10.966 1.00 0.00 H new ATOM 595 N MET A 22 -7.092 0.848 11.434 1.00 0.00 N ATOM 596 CA MET A 22 -7.571 2.233 11.473 1.00 0.00 C ATOM 597 C MET A 22 -7.164 2.875 12.777 1.00 0.00 C ATOM 598 O MET A 22 -6.647 3.986 12.812 1.00 0.00 O ATOM 599 CB MET A 22 -9.081 2.273 11.320 1.00 0.00 C ATOM 600 CG MET A 22 -9.580 1.869 9.952 1.00 0.00 C ATOM 601 SD MET A 22 -9.270 3.109 8.708 1.00 0.00 S ATOM 602 CE MET A 22 -10.280 4.431 9.364 1.00 0.00 C ATOM 0 H MET A 22 -7.825 0.160 11.262 1.00 0.00 H new ATOM 0 HA MET A 22 -7.124 2.786 10.647 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.527 1.615 12.065 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.430 3.283 11.537 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.100 0.936 9.656 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.651 1.673 10.004 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.413 5.200 8.603 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.253 4.036 9.654 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.790 4.865 10.236 1.00 0.00 H new ATOM 612 N GLN A 23 -7.390 2.153 13.827 1.00 0.00 N ATOM 613 CA GLN A 23 -6.971 2.546 15.156 1.00 0.00 C ATOM 614 C GLN A 23 -5.450 2.516 15.281 1.00 0.00 C ATOM 615 O GLN A 23 -4.853 3.386 15.899 1.00 0.00 O ATOM 616 CB GLN A 23 -7.564 1.593 16.167 1.00 0.00 C ATOM 617 CG GLN A 23 -9.065 1.587 16.164 1.00 0.00 C ATOM 618 CD GLN A 23 -9.651 0.539 17.081 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.054 -0.518 17.301 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.808 0.806 17.613 1.00 0.00 N ATOM 0 H GLN A 23 -7.878 1.258 13.797 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.318 3.563 15.340 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.203 0.585 15.962 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.210 1.863 17.162 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.428 2.570 16.465 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.421 1.414 15.148 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.272 1.691 17.408 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.251 0.130 18.235 1.00 0.00 H new ATOM 629 N ALA A 24 -4.834 1.548 14.633 1.00 0.00 N ATOM 630 CA ALA A 24 -3.381 1.329 14.771 1.00 0.00 C ATOM 631 C ALA A 24 -2.567 2.432 14.107 1.00 0.00 C ATOM 632 O ALA A 24 -1.462 2.769 14.552 1.00 0.00 O ATOM 633 CB ALA A 24 -2.978 -0.031 14.224 1.00 0.00 C ATOM 0 H ALA A 24 -5.302 0.895 14.004 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.159 1.355 15.838 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.902 -0.165 14.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.502 -0.814 14.773 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.240 -0.091 13.168 1.00 0.00 H new ATOM 639 N LEU A 25 -3.107 2.977 13.052 1.00 0.00 N ATOM 640 CA LEU A 25 -2.463 4.047 12.313 1.00 0.00 C ATOM 641 C LEU A 25 -3.047 5.391 12.716 1.00 0.00 C ATOM 642 O LEU A 25 -2.546 6.448 12.338 1.00 0.00 O ATOM 643 CB LEU A 25 -2.656 3.803 10.842 1.00 0.00 C ATOM 644 CG LEU A 25 -2.040 2.523 10.314 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.499 2.289 8.911 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.526 2.601 10.370 1.00 0.00 C ATOM 0 H LEU A 25 -4.011 2.695 12.672 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.397 4.064 12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.725 3.787 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.234 4.644 10.292 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.361 1.689 10.938 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.056 1.368 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.585 2.203 8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.191 3.125 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.099 1.674 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.182 3.437 9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.207 2.748 11.402 1.00 0.00 H new ATOM 658 N ASN A 26 -4.107 5.306 13.496 1.00 0.00 N ATOM 659 CA ASN A 26 -4.854 6.429 14.047 1.00 0.00 C ATOM 660 C ASN A 26 -5.451 7.350 12.978 1.00 0.00 C ATOM 661 O ASN A 26 -5.016 8.489 12.775 1.00 0.00 O ATOM 662 CB ASN A 26 -4.068 7.207 15.119 1.00 0.00 C ATOM 663 CG ASN A 26 -4.902 8.276 15.817 1.00 0.00 C ATOM 664 OD1 ASN A 26 -6.130 8.146 15.967 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.261 9.324 16.258 1.00 0.00 N ATOM 0 H ASN A 26 -4.494 4.406 13.780 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.705 5.978 14.557 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.690 6.506 15.864 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.201 7.677 14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.768 10.066 16.741 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.253 9.401 16.119 1.00 0.00 H new ATOM 672 N LEU A 27 -6.392 6.813 12.254 1.00 0.00 N ATOM 673 CA LEU A 27 -7.162 7.536 11.326 1.00 0.00 C ATOM 674 C LEU A 27 -8.622 7.234 11.583 1.00 0.00 C ATOM 675 O LEU A 27 -8.940 6.361 12.407 1.00 0.00 O ATOM 676 CB LEU A 27 -6.800 7.203 9.893 1.00 0.00 C ATOM 677 CG LEU A 27 -6.890 5.761 9.437 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.140 5.751 7.963 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.595 5.035 9.717 1.00 0.00 C ATOM 0 H LEU A 27 -6.640 5.825 12.308 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.959 8.599 11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.443 7.796 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.777 7.540 9.723 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.696 5.261 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.208 4.721 7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.074 6.270 7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.320 6.255 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.678 4.001 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.781 5.525 9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.391 5.055 10.787 1.00 0.00 H new ATOM 691 N ASN A 28 -9.494 7.947 10.928 1.00 0.00 N ATOM 692 CA ASN A 28 -10.928 7.760 11.080 1.00 0.00 C ATOM 693 C ASN A 28 -11.585 7.825 9.722 1.00 0.00 C ATOM 694 O ASN A 28 -10.898 7.910 8.703 1.00 0.00 O ATOM 695 CB ASN A 28 -11.556 8.826 12.010 1.00 0.00 C ATOM 696 CG ASN A 28 -11.064 8.751 13.443 1.00 0.00 C ATOM 697 OD1 ASN A 28 -11.608 8.011 14.261 1.00 0.00 O ATOM 698 ND2 ASN A 28 -10.064 9.526 13.773 1.00 0.00 N ATOM 0 H ASN A 28 -9.239 8.681 10.267 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.093 6.784 11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.338 9.817 11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.640 8.710 12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.715 9.528 14.731 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.633 10.129 13.072 1.00 0.00 H new ATOM 705 N ILE A 29 -12.895 7.770 9.694 1.00 0.00 N ATOM 706 CA ILE A 29 -13.633 7.860 8.451 1.00 0.00 C ATOM 707 C ILE A 29 -13.573 9.285 7.907 1.00 0.00 C ATOM 708 O ILE A 29 -13.683 10.266 8.657 1.00 0.00 O ATOM 709 CB ILE A 29 -15.100 7.421 8.630 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.186 5.960 9.116 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.911 7.626 7.350 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.579 4.938 8.169 1.00 0.00 C ATOM 0 H ILE A 29 -13.478 7.662 10.524 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.167 7.182 7.736 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.540 8.057 9.398 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.686 5.883 10.081 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.234 5.707 9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.939 7.305 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.900 8.681 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.473 7.038 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.686 3.940 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.094 4.981 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.522 5.159 8.024 1.00 0.00 H new ATOM 724 N ASP A 30 -13.414 9.360 6.613 1.00 0.00 N ATOM 725 CA ASP A 30 -13.217 10.564 5.844 1.00 0.00 C ATOM 726 C ASP A 30 -11.931 11.203 6.239 1.00 0.00 C ATOM 727 O ASP A 30 -11.861 12.335 6.709 1.00 0.00 O ATOM 728 CB ASP A 30 -14.396 11.549 5.839 1.00 0.00 C ATOM 729 CG ASP A 30 -14.182 12.677 4.833 1.00 0.00 C ATOM 730 OD1 ASP A 30 -14.110 12.390 3.623 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.067 13.858 5.231 1.00 0.00 O ATOM 0 H ASP A 30 -13.419 8.526 6.026 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.164 10.255 4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.315 11.015 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.524 11.970 6.836 1.00 0.00 H new ATOM 736 N ASP A 31 -10.945 10.394 6.231 1.00 0.00 N ATOM 737 CA ASP A 31 -9.609 10.849 6.380 1.00 0.00 C ATOM 738 C ASP A 31 -8.976 10.640 5.043 1.00 0.00 C ATOM 739 O ASP A 31 -9.200 9.592 4.409 1.00 0.00 O ATOM 740 CB ASP A 31 -8.869 10.063 7.450 1.00 0.00 C ATOM 741 CG ASP A 31 -7.611 10.763 7.912 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.636 10.839 7.162 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.598 11.286 9.050 1.00 0.00 O ATOM 0 H ASP A 31 -11.037 9.384 6.120 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.576 11.892 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.529 9.906 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.612 9.078 7.061 1.00 0.00 H new ATOM 748 N GLU A 32 -8.298 11.625 4.571 1.00 0.00 N ATOM 749 CA GLU A 32 -7.693 11.580 3.294 1.00 0.00 C ATOM 750 C GLU A 32 -6.350 10.876 3.380 1.00 0.00 C ATOM 751 O GLU A 32 -5.556 11.148 4.284 1.00 0.00 O ATOM 752 CB GLU A 32 -7.591 13.001 2.759 1.00 0.00 C ATOM 753 CG GLU A 32 -6.929 13.143 1.419 1.00 0.00 C ATOM 754 CD GLU A 32 -7.206 14.483 0.820 1.00 0.00 C ATOM 755 OE1 GLU A 32 -6.686 15.496 1.327 1.00 0.00 O ATOM 756 OE2 GLU A 32 -8.026 14.562 -0.128 1.00 0.00 O ATOM 0 H GLU A 32 -8.147 12.500 5.073 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.296 11.002 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.596 13.419 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.041 13.604 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.853 13.004 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.286 12.361 0.749 1.00 0.00 H new ATOM 763 N VAL A 33 -6.116 9.953 2.462 1.00 0.00 N ATOM 764 CA VAL A 33 -4.907 9.163 2.454 1.00 0.00 C ATOM 765 C VAL A 33 -4.278 9.190 1.085 1.00 0.00 C ATOM 766 O VAL A 33 -4.952 9.467 0.084 1.00 0.00 O ATOM 767 CB VAL A 33 -5.132 7.672 2.902 1.00 0.00 C ATOM 768 CG1 VAL A 33 -5.941 7.618 4.140 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.789 6.821 1.844 1.00 0.00 C ATOM 0 H VAL A 33 -6.762 9.734 1.704 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.240 9.617 3.187 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.138 7.261 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.086 6.579 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.423 8.152 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.910 8.083 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.914 5.805 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.765 7.238 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.164 6.803 0.951 1.00 0.00 H new ATOM 779 N LYS A 34 -3.013 8.936 1.026 1.00 0.00 N ATOM 780 CA LYS A 34 -2.344 8.871 -0.252 1.00 0.00 C ATOM 781 C LYS A 34 -2.309 7.463 -0.758 1.00 0.00 C ATOM 782 O LYS A 34 -2.084 6.523 0.008 1.00 0.00 O ATOM 783 CB LYS A 34 -0.907 9.322 -0.200 1.00 0.00 C ATOM 784 CG LYS A 34 -0.629 10.781 0.091 1.00 0.00 C ATOM 785 CD LYS A 34 0.841 11.064 -0.226 1.00 0.00 C ATOM 786 CE LYS A 34 1.764 10.165 0.586 1.00 0.00 C ATOM 787 NZ LYS A 34 3.124 10.087 0.051 1.00 0.00 N ATOM 0 H LYS A 34 -2.416 8.770 1.836 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.916 9.535 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.398 8.728 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.446 9.079 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.277 11.418 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.842 11.007 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.022 10.910 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.067 12.109 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.806 10.533 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.339 9.162 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.679 9.408 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.090 9.773 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.571 11.024 0.102 1.00 0.00 H new ATOM 801 N ILE A 35 -2.534 7.320 -2.026 1.00 0.00 N ATOM 802 CA ILE A 35 -2.355 6.071 -2.692 1.00 0.00 C ATOM 803 C ILE A 35 -1.224 6.303 -3.687 1.00 0.00 C ATOM 804 O ILE A 35 -1.433 6.939 -4.727 1.00 0.00 O ATOM 805 CB ILE A 35 -3.611 5.628 -3.508 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.935 5.886 -2.764 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.508 4.166 -3.890 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.104 5.173 -1.441 1.00 0.00 C ATOM 0 H ILE A 35 -2.850 8.076 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.159 5.294 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.626 6.243 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.028 6.958 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.758 5.596 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.392 3.875 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.618 4.011 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.440 3.558 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.072 5.430 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.052 4.096 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.310 5.479 -0.759 1.00 0.00 H new ATOM 820 N ASP A 36 -0.038 5.902 -3.339 1.00 0.00 N ATOM 821 CA ASP A 36 1.101 6.054 -4.235 1.00 0.00 C ATOM 822 C ASP A 36 1.426 4.702 -4.828 1.00 0.00 C ATOM 823 O ASP A 36 1.377 3.689 -4.131 1.00 0.00 O ATOM 824 CB ASP A 36 2.368 6.642 -3.529 1.00 0.00 C ATOM 825 CG ASP A 36 2.343 8.138 -3.227 1.00 0.00 C ATOM 826 OD1 ASP A 36 2.026 8.949 -4.127 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.716 8.528 -2.086 1.00 0.00 O ATOM 0 H ASP A 36 0.180 5.465 -2.443 1.00 0.00 H new ATOM 0 HA ASP A 36 0.822 6.769 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.516 6.106 -2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.236 6.434 -4.155 1.00 0.00 H new ATOM 832 N LEU A 37 1.693 4.652 -6.105 1.00 0.00 N ATOM 833 CA LEU A 37 2.047 3.465 -6.731 1.00 0.00 C ATOM 834 C LEU A 37 3.552 3.430 -6.735 1.00 0.00 C ATOM 835 O LEU A 37 4.208 4.369 -7.196 1.00 0.00 O ATOM 836 CB LEU A 37 1.490 3.465 -8.152 1.00 0.00 C ATOM 837 CG LEU A 37 1.381 2.121 -8.875 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.717 1.466 -9.046 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.405 1.217 -8.168 1.00 0.00 C ATOM 0 H LEU A 37 1.663 5.462 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 37 1.647 2.588 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.496 3.911 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.116 4.121 -8.757 1.00 0.00 H new ATOM 0 HG LEU A 37 0.999 2.314 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.592 0.515 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.368 2.115 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.164 1.290 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.341 0.266 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.745 1.042 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.578 1.688 -8.148 1.00 0.00 H new ATOM 851 N VAL A 38 4.068 2.370 -6.223 1.00 0.00 N ATOM 852 CA VAL A 38 5.505 2.155 -6.073 1.00 0.00 C ATOM 853 C VAL A 38 5.762 0.658 -6.216 1.00 0.00 C ATOM 854 O VAL A 38 5.020 -0.138 -5.646 1.00 0.00 O ATOM 855 CB VAL A 38 6.034 2.613 -4.656 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.540 2.466 -4.554 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.629 4.042 -4.292 1.00 0.00 C ATOM 0 H VAL A 38 3.505 1.592 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 38 6.024 2.743 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 38 5.556 1.947 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.871 2.790 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.815 1.422 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.018 3.081 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.024 4.293 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.032 4.734 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.542 4.119 -4.277 1.00 0.00 H new ATOM 867 N ASP A 39 6.754 0.281 -7.031 1.00 0.00 N ATOM 868 CA ASP A 39 7.175 -1.144 -7.229 1.00 0.00 C ATOM 869 C ASP A 39 6.033 -2.037 -7.709 1.00 0.00 C ATOM 870 O ASP A 39 6.055 -3.259 -7.519 1.00 0.00 O ATOM 871 CB ASP A 39 7.805 -1.744 -5.950 1.00 0.00 C ATOM 872 CG ASP A 39 9.149 -1.155 -5.604 1.00 0.00 C ATOM 873 OD1 ASP A 39 10.184 -1.577 -6.192 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.216 -0.270 -4.751 1.00 0.00 O ATOM 0 H ASP A 39 7.300 0.944 -7.581 1.00 0.00 H new ATOM 0 HA ASP A 39 7.931 -1.117 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.124 -1.590 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.912 -2.821 -6.079 1.00 0.00 H new ATOM 879 N GLY A 40 5.057 -1.433 -8.354 1.00 0.00 N ATOM 880 CA GLY A 40 3.931 -2.176 -8.854 1.00 0.00 C ATOM 881 C GLY A 40 2.940 -2.559 -7.771 1.00 0.00 C ATOM 882 O GLY A 40 2.135 -3.465 -7.964 1.00 0.00 O ATOM 0 H GLY A 40 5.025 -0.431 -8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.420 -1.583 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.290 -3.080 -9.346 1.00 0.00 H new ATOM 886 N LYS A 41 2.996 -1.911 -6.630 1.00 0.00 N ATOM 887 CA LYS A 41 2.050 -2.202 -5.584 1.00 0.00 C ATOM 888 C LYS A 41 1.435 -0.909 -5.087 1.00 0.00 C ATOM 889 O LYS A 41 1.943 0.188 -5.392 1.00 0.00 O ATOM 890 CB LYS A 41 2.724 -2.987 -4.440 1.00 0.00 C ATOM 891 CG LYS A 41 3.736 -2.204 -3.624 1.00 0.00 C ATOM 892 CD LYS A 41 4.631 -3.111 -2.788 1.00 0.00 C ATOM 893 CE LYS A 41 5.633 -3.882 -3.646 1.00 0.00 C ATOM 894 NZ LYS A 41 6.380 -4.883 -2.862 1.00 0.00 N ATOM 0 H LYS A 41 3.679 -1.187 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 41 1.255 -2.833 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.949 -3.356 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.221 -3.860 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.353 -1.605 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.211 -1.510 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.169 -2.511 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.013 -3.816 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.105 -4.380 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.334 -3.182 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.200 -5.212 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.708 -4.454 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.760 -5.690 -2.648 1.00 0.00 H new ATOM 908 N LEU A 42 0.372 -1.025 -4.345 1.00 0.00 N ATOM 909 CA LEU A 42 -0.319 0.120 -3.829 1.00 0.00 C ATOM 910 C LEU A 42 0.182 0.421 -2.469 1.00 0.00 C ATOM 911 O LEU A 42 0.094 -0.392 -1.547 1.00 0.00 O ATOM 912 CB LEU A 42 -1.831 -0.084 -3.827 1.00 0.00 C ATOM 913 CG LEU A 42 -2.492 -0.208 -5.195 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.845 -0.888 -5.066 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.686 1.157 -5.863 1.00 0.00 C ATOM 0 H LEU A 42 -0.041 -1.919 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.120 0.970 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.055 -0.984 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.289 0.752 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.827 -0.806 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.306 -0.970 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.713 -1.884 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.488 -0.298 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.160 1.022 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.319 1.783 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.717 1.638 -5.995 1.00 0.00 H new ATOM 927 N ILE A 43 0.748 1.542 -2.369 1.00 0.00 N ATOM 928 CA ILE A 43 1.305 2.013 -1.149 1.00 0.00 C ATOM 929 C ILE A 43 0.362 3.017 -0.569 1.00 0.00 C ATOM 930 O ILE A 43 0.050 4.038 -1.196 1.00 0.00 O ATOM 931 CB ILE A 43 2.668 2.669 -1.394 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.613 1.711 -2.108 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.289 3.212 -0.116 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.872 0.414 -1.390 1.00 0.00 C ATOM 0 H ILE A 43 0.849 2.192 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 43 1.450 1.178 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 43 2.498 3.527 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.202 1.487 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.566 2.216 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.253 3.666 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.629 3.962 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.431 2.397 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.556 -0.198 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.316 0.620 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.932 -0.121 -1.254 1.00 0.00 H new ATOM 946 N ILE A 44 -0.102 2.735 0.589 1.00 0.00 N ATOM 947 CA ILE A 44 -1.054 3.584 1.231 1.00 0.00 C ATOM 948 C ILE A 44 -0.487 4.109 2.519 1.00 0.00 C ATOM 949 O ILE A 44 -0.106 3.346 3.416 1.00 0.00 O ATOM 950 CB ILE A 44 -2.422 2.880 1.472 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.053 2.477 0.127 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.376 3.776 2.274 1.00 0.00 C ATOM 953 CD1 ILE A 44 -4.405 1.814 0.250 1.00 0.00 C ATOM 0 H ILE A 44 0.162 1.910 1.127 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.252 4.418 0.558 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.244 1.980 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.152 3.366 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.374 1.799 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.322 3.256 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.930 4.008 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.554 4.701 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.778 1.562 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.312 0.905 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.102 2.496 0.738 1.00 0.00 H new ATOM 965 N GLU A 45 -0.442 5.392 2.613 1.00 0.00 N ATOM 966 CA GLU A 45 0.075 6.063 3.766 1.00 0.00 C ATOM 967 C GLU A 45 -0.980 7.076 4.109 1.00 0.00 C ATOM 968 O GLU A 45 -1.676 7.555 3.190 1.00 0.00 O ATOM 969 CB GLU A 45 1.389 6.820 3.460 1.00 0.00 C ATOM 970 CG GLU A 45 2.540 6.020 2.829 1.00 0.00 C ATOM 971 CD GLU A 45 3.751 6.885 2.544 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.710 7.744 1.633 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.777 6.713 3.216 1.00 0.00 O ATOM 0 H GLU A 45 -0.768 6.021 1.880 1.00 0.00 H new ATOM 0 HA GLU A 45 0.295 5.351 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.152 7.650 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.752 7.253 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.825 5.208 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.196 5.563 1.901 1.00 0.00 H new ATOM 980 N PRO A 46 -1.159 7.449 5.362 1.00 0.00 N ATOM 981 CA PRO A 46 -2.153 8.389 5.699 1.00 0.00 C ATOM 982 C PRO A 46 -1.613 9.786 5.473 1.00 0.00 C ATOM 983 O PRO A 46 -0.404 9.975 5.232 1.00 0.00 O ATOM 984 CB PRO A 46 -2.438 8.121 7.182 1.00 0.00 C ATOM 985 CG PRO A 46 -1.484 7.054 7.582 1.00 0.00 C ATOM 986 CD PRO A 46 -0.397 7.062 6.536 1.00 0.00 C ATOM 0 HA PRO A 46 -3.060 8.306 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.293 9.021 7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.469 7.802 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.074 7.247 8.573 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.978 6.083 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.396 7.773 6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.074 6.086 6.421 1.00 0.00 H new ATOM 994 N VAL A 47 -2.442 10.745 5.542 1.00 0.00 N ATOM 995 CA VAL A 47 -1.980 12.087 5.311 1.00 0.00 C ATOM 996 C VAL A 47 -1.951 12.789 6.613 1.00 0.00 C ATOM 997 O VAL A 47 -2.986 12.937 7.268 1.00 0.00 O ATOM 998 CB VAL A 47 -2.818 12.916 4.291 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.150 14.227 4.014 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.992 12.201 2.991 1.00 0.00 C ATOM 0 H VAL A 47 -3.436 10.651 5.752 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.993 12.001 4.857 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.798 13.068 4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.746 14.795 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.059 14.792 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.158 14.049 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.582 12.817 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.015 12.008 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.506 11.255 3.162 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.162 9.764 -5.682 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.595 9.810 -5.710 1.00 0.00 C ATOM 1353 C ILE B 2 -4.078 10.085 -4.302 1.00 0.00 C ATOM 1354 O ILE B 2 -3.912 9.245 -3.415 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.224 8.474 -6.202 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.667 8.068 -7.577 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.750 8.595 -6.255 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.157 6.725 -8.078 1.00 0.00 C ATOM 0 HA ILE B 2 -3.899 10.590 -6.408 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.957 7.692 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.935 8.834 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.579 8.047 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.178 7.654 -6.601 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.132 8.823 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.028 9.394 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.716 6.517 -9.053 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.865 5.946 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.243 6.744 -8.168 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.623 11.249 -4.069 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.140 11.545 -2.765 1.00 0.00 C ATOM 1372 C HIS B 3 -6.573 11.050 -2.684 1.00 0.00 C ATOM 1373 O HIS B 3 -7.462 11.504 -3.412 1.00 0.00 O ATOM 1374 CB HIS B 3 -4.956 13.040 -2.318 1.00 0.00 C ATOM 1375 CG HIS B 3 -5.716 14.105 -3.077 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -6.912 14.633 -2.645 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -5.408 14.780 -4.218 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -7.291 15.569 -3.505 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -6.414 15.707 -4.485 1.00 0.00 N ATOM 0 H HIS B 3 -4.719 11.997 -4.756 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.541 11.007 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.239 13.112 -1.268 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -3.894 13.279 -2.380 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -7.420 14.352 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -4.525 14.623 -4.820 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -8.200 16.145 -3.416 1.00 0.00 H new ATOM 1387 N SER B 4 -6.750 10.073 -1.867 1.00 0.00 N ATOM 1388 CA SER B 4 -7.988 9.394 -1.687 1.00 0.00 C ATOM 1389 C SER B 4 -8.446 9.547 -0.263 1.00 0.00 C ATOM 1390 O SER B 4 -7.916 10.355 0.465 1.00 0.00 O ATOM 1391 CB SER B 4 -7.778 7.934 -2.015 1.00 0.00 C ATOM 1392 OG SER B 4 -7.560 7.756 -3.401 1.00 0.00 O ATOM 0 H SER B 4 -6.002 9.707 -1.278 1.00 0.00 H new ATOM 0 HA SER B 4 -8.752 9.814 -2.342 1.00 0.00 H new ATOM 0 HB2 SER B 4 -6.924 7.550 -1.456 1.00 0.00 H new ATOM 0 HB3 SER B 4 -8.649 7.358 -1.702 1.00 0.00 H new ATOM 0 HG SER B 4 -7.584 6.800 -3.616 1.00 0.00 H new ATOM 1398 N SER B 5 -9.403 8.768 0.135 1.00 0.00 N ATOM 1399 CA SER B 5 -9.937 8.855 1.445 1.00 0.00 C ATOM 1400 C SER B 5 -10.589 7.545 1.831 1.00 0.00 C ATOM 1401 O SER B 5 -10.749 6.648 0.983 1.00 0.00 O ATOM 1402 CB SER B 5 -10.899 10.041 1.535 1.00 0.00 C ATOM 1403 OG SER B 5 -11.767 10.075 0.406 1.00 0.00 O ATOM 0 H SER B 5 -9.834 8.051 -0.449 1.00 0.00 H new ATOM 0 HA SER B 5 -9.135 9.033 2.162 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.487 9.969 2.450 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.333 10.971 1.592 1.00 0.00 H new ATOM 0 HG SER B 5 -11.763 10.975 0.018 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.951 7.440 3.072 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.521 6.248 3.628 1.00 0.00 C ATOM 1411 C VAL B 6 -12.911 6.577 4.029 1.00 0.00 C ATOM 1412 O VAL B 6 -13.117 7.507 4.785 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.742 5.811 4.899 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.346 4.565 5.524 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.289 5.582 4.581 1.00 0.00 C ATOM 0 H VAL B 6 -10.856 8.200 3.746 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.481 5.441 2.896 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.820 6.621 5.624 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.775 4.289 6.410 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.380 4.764 5.806 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.317 3.747 4.805 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.762 5.277 5.485 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.200 4.799 3.828 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.850 6.504 4.199 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.851 5.878 3.527 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.208 6.122 3.905 1.00 0.00 C ATOM 1427 C LYS B 7 -15.787 4.888 4.569 1.00 0.00 C ATOM 1428 O LYS B 7 -15.123 3.866 4.631 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.063 6.592 2.745 1.00 0.00 C ATOM 1430 CG LYS B 7 -16.121 8.110 2.504 1.00 0.00 C ATOM 1431 CD LYS B 7 -14.851 8.791 2.034 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.223 10.213 1.597 1.00 0.00 C ATOM 1433 NZ LYS B 7 -14.069 11.084 1.352 1.00 0.00 N ATOM 0 H LYS B 7 -13.718 5.127 2.850 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.212 6.941 4.624 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.695 6.116 1.836 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.080 6.233 2.904 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -16.900 8.304 1.767 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.435 8.587 3.433 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -14.112 8.817 2.835 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.405 8.240 1.206 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.822 10.157 0.688 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.850 10.666 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.346 11.856 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -13.737 11.483 2.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -13.304 10.532 0.915 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.992 4.963 5.068 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.559 3.843 5.789 1.00 0.00 C ATOM 1449 C ARG B 8 -18.578 3.102 4.930 1.00 0.00 C ATOM 1450 O ARG B 8 -19.593 3.675 4.507 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.214 4.300 7.097 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.484 3.160 8.068 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.201 3.630 9.331 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.522 4.763 9.983 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.011 4.784 11.227 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -17.968 3.680 11.963 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -17.542 5.927 11.721 1.00 0.00 N ATOM 0 H ARG B 8 -17.600 5.779 4.992 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.742 3.163 6.030 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.569 5.034 7.580 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.154 4.803 6.868 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.087 2.399 7.573 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.540 2.689 8.343 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.221 3.920 9.078 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.271 2.800 10.034 1.00 0.00 H new ATOM 0 HE ARG B 8 -18.430 5.619 9.435 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -18.325 2.802 11.587 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.578 3.710 12.905 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.572 6.777 11.157 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.152 5.954 12.663 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.302 1.862 4.672 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.176 0.994 3.925 1.00 0.00 C ATOM 1473 C TRP B 9 -19.666 -0.065 4.891 1.00 0.00 C ATOM 1474 O TRP B 9 -18.925 -1.004 5.238 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.385 0.391 2.764 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.125 -0.519 1.835 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.453 -0.516 1.562 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.559 -1.565 1.012 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.732 -1.465 0.627 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.616 -2.128 0.298 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.269 -2.087 0.805 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.453 -3.164 -0.583 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.113 -3.123 -0.075 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.212 -3.651 -0.751 1.00 0.00 C ATOM 0 H TRP B 9 -17.442 1.408 4.980 1.00 0.00 H new ATOM 0 HA TRP B 9 -20.032 1.519 3.501 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.970 1.210 2.176 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.543 -0.162 3.180 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.180 0.140 2.018 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.656 -1.645 0.234 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.419 -1.678 1.330 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.293 -3.575 -1.124 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.130 -3.535 -0.247 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -18.061 -4.477 -1.431 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.865 0.132 5.396 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.378 -0.734 6.416 1.00 0.00 C ATOM 1497 C GLY B 10 -20.668 -0.414 7.694 1.00 0.00 C ATOM 1498 O GLY B 10 -20.564 0.754 8.059 1.00 0.00 O ATOM 0 H GLY B 10 -21.495 0.883 5.113 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.453 -0.592 6.531 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.221 -1.778 6.144 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.144 -1.403 8.357 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.338 -1.136 9.539 1.00 0.00 C ATOM 1504 C ASN B 11 -17.844 -1.147 9.179 1.00 0.00 C ATOM 1505 O ASN B 11 -16.992 -1.165 10.070 1.00 0.00 O ATOM 1506 CB ASN B 11 -19.574 -2.186 10.656 1.00 0.00 C ATOM 1507 CG ASN B 11 -18.976 -3.562 10.343 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -18.933 -3.991 9.193 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -18.455 -4.224 11.350 1.00 0.00 N ATOM 0 H ASN B 11 -20.250 -2.388 8.116 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.639 -0.155 9.908 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -19.145 -1.816 11.587 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -20.646 -2.294 10.820 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -17.998 -5.122 11.189 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -18.507 -3.841 12.294 1.00 0.00 H new ATOM 1516 N SER B 12 -17.501 -1.087 7.900 1.00 0.00 N ATOM 1517 CA SER B 12 -16.156 -1.272 7.542 1.00 0.00 C ATOM 1518 C SER B 12 -15.636 -0.073 6.779 1.00 0.00 C ATOM 1519 O SER B 12 -16.292 0.415 5.858 1.00 0.00 O ATOM 1520 CB SER B 12 -16.038 -2.528 6.703 1.00 0.00 C ATOM 1521 OG SER B 12 -16.605 -3.654 7.382 1.00 0.00 O ATOM 0 H SER B 12 -18.143 -0.914 7.126 1.00 0.00 H new ATOM 0 HA SER B 12 -15.553 -1.379 8.444 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.545 -2.381 5.749 1.00 0.00 H new ATOM 0 HB3 SER B 12 -14.989 -2.724 6.480 1.00 0.00 H new ATOM 0 HG SER B 12 -17.447 -3.389 7.808 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.520 0.470 7.215 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.829 1.502 6.483 1.00 0.00 C ATOM 1529 C PRO B 13 -13.394 0.955 5.119 1.00 0.00 C ATOM 1530 O PRO B 13 -12.736 -0.086 5.033 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.606 1.848 7.337 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.681 1.014 8.574 1.00 0.00 C ATOM 1533 CD PRO B 13 -13.878 0.124 8.478 1.00 0.00 C ATOM 0 HA PRO B 13 -14.453 2.377 6.302 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.685 1.644 6.791 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.600 2.909 7.588 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.775 0.418 8.684 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.753 1.651 9.456 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.588 -0.927 8.496 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.554 0.283 9.318 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.794 1.618 4.080 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.528 1.183 2.756 1.00 0.00 C ATOM 1543 C ALA B 14 -12.757 2.234 1.989 1.00 0.00 C ATOM 1544 O ALA B 14 -13.012 3.445 2.128 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.826 0.856 2.056 1.00 0.00 C ATOM 0 H ALA B 14 -14.322 2.489 4.134 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.913 0.284 2.799 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.617 0.522 1.040 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.343 0.064 2.599 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.456 1.745 2.024 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.813 1.777 1.207 1.00 0.00 N ATOM 1552 CA VAL B 15 -10.997 2.639 0.386 1.00 0.00 C ATOM 1553 C VAL B 15 -11.429 2.485 -1.050 1.00 0.00 C ATOM 1554 O VAL B 15 -11.570 1.358 -1.534 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.474 2.311 0.510 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.635 3.197 -0.412 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.011 2.489 1.941 1.00 0.00 C ATOM 0 H VAL B 15 -11.586 0.786 1.120 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.135 3.664 0.729 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.336 1.272 0.209 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.581 2.943 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.940 3.037 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.786 4.244 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.948 2.257 2.011 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.178 3.520 2.252 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.573 1.818 2.591 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.678 3.598 -1.705 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.072 3.597 -3.092 1.00 0.00 C ATOM 1569 C ARG B 16 -10.851 3.424 -3.977 1.00 0.00 C ATOM 1570 O ARG B 16 -9.977 4.291 -4.004 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.773 4.900 -3.449 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.055 5.109 -2.714 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.808 6.294 -3.243 1.00 0.00 C ATOM 1574 NE ARG B 16 -15.314 6.079 -4.614 1.00 0.00 N ATOM 1575 CZ ARG B 16 -15.655 7.041 -5.489 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -15.541 8.331 -5.161 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -16.127 6.694 -6.684 1.00 0.00 N ATOM 0 H ARG B 16 -11.612 4.527 -1.289 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.761 2.768 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.103 5.733 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.972 4.914 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.674 4.216 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -13.848 5.253 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -15.646 6.513 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.157 7.168 -3.233 1.00 0.00 H new ATOM 0 HE ARG B 16 -15.414 5.113 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.192 8.594 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -15.802 9.053 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -16.226 5.708 -6.927 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -16.390 7.414 -7.357 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.768 2.315 -4.654 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.665 2.063 -5.547 1.00 0.00 C ATOM 1593 C ILE B 17 -10.082 2.498 -6.945 1.00 0.00 C ATOM 1594 O ILE B 17 -11.130 2.072 -7.435 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.256 0.550 -5.595 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.901 0.002 -4.205 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.094 0.321 -6.562 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -7.766 0.696 -3.486 1.00 0.00 C ATOM 0 H ILE B 17 -11.455 1.563 -4.606 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.803 2.622 -5.182 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.127 0.003 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -9.790 0.058 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -8.648 -1.053 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.833 -0.737 -6.573 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.388 0.633 -7.564 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.231 0.904 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -7.606 0.224 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.856 0.618 -4.082 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -8.016 1.747 -3.341 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.306 3.381 -7.591 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.593 3.799 -8.946 1.00 0.00 C ATOM 1612 C PRO B 18 -9.544 2.605 -9.895 1.00 0.00 C ATOM 1613 O PRO B 18 -8.554 1.838 -9.906 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.483 4.809 -9.287 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.436 4.627 -8.237 1.00 0.00 C ATOM 1616 CD PRO B 18 -8.116 4.044 -7.035 1.00 0.00 C ATOM 0 HA PRO B 18 -10.588 4.233 -9.043 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -8.077 4.624 -10.281 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.867 5.829 -9.284 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.646 3.965 -8.591 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.968 5.580 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.471 3.336 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.388 4.816 -6.316 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.594 2.448 -10.688 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.729 1.330 -11.622 1.00 0.00 C ATOM 1626 C ALA B 19 -9.559 1.278 -12.594 1.00 0.00 C ATOM 1627 O ALA B 19 -9.149 0.207 -13.020 1.00 0.00 O ATOM 1628 CB ALA B 19 -12.055 1.404 -12.366 1.00 0.00 C ATOM 0 H ALA B 19 -11.383 3.094 -10.705 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.717 0.407 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.133 0.563 -13.055 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.876 1.365 -11.650 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.106 2.338 -12.926 1.00 0.00 H new ATOM 1634 N THR B 20 -9.002 2.438 -12.889 1.00 0.00 N ATOM 1635 CA THR B 20 -7.847 2.579 -13.743 1.00 0.00 C ATOM 1636 C THR B 20 -6.660 1.738 -13.202 1.00 0.00 C ATOM 1637 O THR B 20 -5.952 1.087 -13.955 1.00 0.00 O ATOM 1638 CB THR B 20 -7.459 4.057 -13.760 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.658 4.829 -13.914 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.513 4.368 -14.905 1.00 0.00 C ATOM 0 H THR B 20 -9.352 3.327 -12.531 1.00 0.00 H new ATOM 0 HA THR B 20 -8.083 2.225 -14.747 1.00 0.00 H new ATOM 0 HB THR B 20 -6.948 4.302 -12.829 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.434 5.783 -13.926 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.257 5.427 -14.888 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.605 3.774 -14.799 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.996 4.127 -15.852 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.513 1.713 -11.883 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.423 0.990 -11.222 1.00 0.00 C ATOM 1650 C LEU B 21 -5.726 -0.462 -11.138 1.00 0.00 C ATOM 1651 O LEU B 21 -4.838 -1.297 -11.216 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.156 1.552 -9.838 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.234 2.755 -9.759 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.797 2.335 -10.035 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.645 3.846 -10.735 1.00 0.00 C ATOM 0 H LEU B 21 -7.143 2.191 -11.239 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.524 1.122 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.112 1.826 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.733 0.757 -9.224 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.310 3.160 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.145 3.207 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.485 1.598 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.730 1.900 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.960 4.689 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.612 3.456 -11.752 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.658 4.176 -10.506 1.00 0.00 H new ATOM 1667 N MET B 22 -6.979 -0.747 -10.972 1.00 0.00 N ATOM 1668 CA MET B 22 -7.482 -2.128 -10.995 1.00 0.00 C ATOM 1669 C MET B 22 -7.073 -2.792 -12.286 1.00 0.00 C ATOM 1670 O MET B 22 -6.574 -3.912 -12.309 1.00 0.00 O ATOM 1671 CB MET B 22 -8.996 -2.149 -10.862 1.00 0.00 C ATOM 1672 CG MET B 22 -9.516 -1.718 -9.515 1.00 0.00 C ATOM 1673 SD MET B 22 -9.248 -2.942 -8.247 1.00 0.00 S ATOM 1674 CE MET B 22 -10.281 -4.251 -8.891 1.00 0.00 C ATOM 0 H MET B 22 -7.701 -0.044 -10.815 1.00 0.00 H new ATOM 0 HA MET B 22 -7.054 -2.671 -10.153 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.423 -1.499 -11.626 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.351 -3.159 -11.067 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.029 -0.787 -9.224 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.583 -1.509 -9.592 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.396 -5.029 -8.136 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.260 -3.848 -9.149 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.817 -4.676 -9.781 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.286 -2.075 -13.334 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.876 -2.463 -14.659 1.00 0.00 C ATOM 1686 C GLN B 23 -5.359 -2.493 -14.778 1.00 0.00 C ATOM 1687 O GLN B 23 -4.798 -3.397 -15.379 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.432 -1.466 -15.640 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.928 -1.443 -15.655 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.498 -0.289 -16.442 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.904 0.787 -16.513 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.650 -0.481 -17.019 1.00 0.00 N ATOM 0 H GLN B 23 -7.764 -1.174 -13.303 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.252 -3.464 -14.868 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -7.060 -0.472 -15.392 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.066 -1.703 -16.639 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.295 -2.378 -16.077 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.294 -1.391 -14.630 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -11.115 -1.385 -16.940 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -11.087 0.273 -17.550 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.708 -1.538 -14.145 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.244 -1.373 -14.275 1.00 0.00 C ATOM 1703 C ALA B 24 -2.474 -2.503 -13.594 1.00 0.00 C ATOM 1704 O ALA B 24 -1.381 -2.896 -14.024 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.805 -0.023 -13.720 1.00 0.00 C ATOM 0 H ALA B 24 -5.155 -0.856 -13.532 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.010 -1.414 -15.339 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.725 0.080 -13.825 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.301 0.776 -14.272 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.075 0.042 -12.666 1.00 0.00 H new ATOM 1711 N LEU B 25 -3.035 -3.012 -12.534 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.433 -4.093 -11.787 1.00 0.00 C ATOM 1713 C LEU B 25 -3.082 -5.415 -12.164 1.00 0.00 C ATOM 1714 O LEU B 25 -2.697 -6.473 -11.690 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.606 -3.815 -10.318 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.941 -2.546 -9.818 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.390 -2.263 -8.423 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.429 -2.680 -9.869 1.00 0.00 C ATOM 0 H LEU B 25 -3.927 -2.691 -12.157 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.371 -4.163 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.672 -3.758 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.209 -4.660 -9.755 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.230 -1.716 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.912 -1.351 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.472 -2.135 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.114 -3.096 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.030 -1.760 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.116 -3.514 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.114 -2.862 -10.897 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.073 -5.310 -13.033 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.867 -6.420 -13.563 1.00 0.00 C ATOM 1732 C ASN B 26 -5.525 -7.278 -12.481 1.00 0.00 C ATOM 1733 O ASN B 26 -5.158 -8.436 -12.245 1.00 0.00 O ATOM 1734 CB ASN B 26 -4.122 -7.276 -14.618 1.00 0.00 C ATOM 1735 CG ASN B 26 -5.022 -8.345 -15.259 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -6.242 -8.169 -15.385 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -4.439 -9.440 -15.671 1.00 0.00 N ATOM 0 H ASN B 26 -4.364 -4.408 -13.410 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.682 -5.932 -14.097 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.729 -6.623 -15.397 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -3.267 -7.762 -14.148 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -4.991 -10.177 -16.110 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -3.433 -9.557 -15.554 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.438 -6.678 -11.778 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.249 -7.351 -10.856 1.00 0.00 C ATOM 1746 C LEU B 27 -8.690 -6.987 -11.109 1.00 0.00 C ATOM 1747 O LEU B 27 -8.975 -6.017 -11.835 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.877 -7.053 -9.417 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.906 -5.617 -8.946 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.173 -5.614 -7.476 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.577 -4.953 -9.203 1.00 0.00 C ATOM 0 H LEU B 27 -6.631 -5.679 -11.845 1.00 0.00 H new ATOM 0 HA LEU B 27 -7.096 -8.421 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.548 -7.625 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.871 -7.437 -9.249 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.681 -5.072 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.198 -4.587 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.133 -6.092 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.383 -6.161 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.614 -3.920 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.793 -5.487 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.361 -4.972 -10.271 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.584 -7.757 -10.561 1.00 0.00 N ATOM 1764 CA ASN B 28 -11.009 -7.539 -10.702 1.00 0.00 C ATOM 1765 C ASN B 28 -11.665 -7.603 -9.344 1.00 0.00 C ATOM 1766 O ASN B 28 -10.980 -7.707 -8.331 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.661 -8.571 -11.655 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.209 -8.447 -13.100 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -11.779 -7.682 -13.878 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.211 -9.196 -13.479 1.00 0.00 N ATOM 0 H ASN B 28 -9.348 -8.570 -9.992 1.00 0.00 H new ATOM 0 HA ASN B 28 -11.156 -6.552 -11.140 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.432 -9.575 -11.298 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.744 -8.456 -11.612 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -9.882 -9.158 -14.444 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -9.759 -9.820 -12.811 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.971 -7.500 -9.317 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.720 -7.593 -8.078 1.00 0.00 C ATOM 1779 C ILE B 29 -13.660 -9.020 -7.521 1.00 0.00 C ATOM 1780 O ILE B 29 -13.737 -10.001 -8.264 1.00 0.00 O ATOM 1781 CB ILE B 29 -15.189 -7.141 -8.276 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.256 -5.663 -8.715 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -16.054 -7.384 -7.030 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.601 -4.681 -7.752 1.00 0.00 C ATOM 0 H ILE B 29 -13.547 -7.350 -10.146 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.261 -6.920 -7.354 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.604 -7.759 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.780 -5.566 -9.691 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.302 -5.383 -8.842 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -17.073 -7.049 -7.224 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.060 -8.448 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.643 -6.827 -6.188 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.697 -3.668 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.091 -4.743 -6.780 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.545 -4.928 -7.642 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.513 -9.086 -6.227 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.345 -10.287 -5.441 1.00 0.00 C ATOM 1798 C ASP B 30 -12.057 -10.971 -5.789 1.00 0.00 C ATOM 1799 O ASP B 30 -11.983 -12.166 -6.112 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.551 -11.231 -5.410 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.350 -12.320 -4.371 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -14.002 -11.995 -3.211 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.483 -13.510 -4.693 1.00 0.00 O ATOM 0 H ASP B 30 -13.506 -8.246 -5.649 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.284 -9.956 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.456 -10.667 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.694 -11.680 -6.393 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.062 -10.161 -5.853 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.722 -10.614 -5.986 1.00 0.00 C ATOM 1810 C ASP B 31 -9.117 -10.444 -4.619 1.00 0.00 C ATOM 1811 O ASP B 31 -9.307 -9.395 -3.984 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.965 -9.771 -7.007 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.700 -10.429 -7.507 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -6.860 -10.831 -6.705 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.541 -10.564 -8.756 1.00 0.00 O ATOM 0 H ASP B 31 -11.157 -9.146 -5.814 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.675 -11.646 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.619 -9.566 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.713 -8.810 -6.559 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.488 -11.460 -4.142 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.896 -11.467 -2.847 1.00 0.00 C ATOM 1822 C GLU B 32 -6.547 -10.776 -2.914 1.00 0.00 C ATOM 1823 O GLU B 32 -5.744 -11.056 -3.813 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.810 -12.921 -2.361 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.128 -13.139 -1.038 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.386 -14.526 -0.497 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -6.940 -15.529 -1.107 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -8.098 -14.647 0.528 1.00 0.00 O ATOM 0 H GLU B 32 -8.367 -12.334 -4.654 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.497 -10.915 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.822 -13.321 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.285 -13.505 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.055 -12.987 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.480 -12.398 -0.321 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.316 -9.847 -1.999 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.097 -9.069 -1.997 1.00 0.00 C ATOM 1837 C VAL B 33 -4.486 -9.069 -0.600 1.00 0.00 C ATOM 1838 O VAL B 33 -5.195 -9.269 0.399 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.300 -7.584 -2.507 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.130 -7.537 -3.763 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.914 -6.677 -1.466 1.00 0.00 C ATOM 0 H VAL B 33 -6.964 -9.616 -1.246 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.417 -9.546 -2.703 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.298 -7.213 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.248 -6.502 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.633 -8.105 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.111 -7.970 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.027 -5.674 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.892 -7.063 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.267 -6.639 -0.590 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.196 -8.891 -0.515 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.560 -8.829 0.774 1.00 0.00 C ATOM 1853 C LYS B 34 -2.500 -7.423 1.273 1.00 0.00 C ATOM 1854 O LYS B 34 -2.265 -6.485 0.503 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.140 -9.313 0.755 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.899 -10.774 0.477 1.00 0.00 C ATOM 1857 CD LYS B 34 0.542 -11.094 0.843 1.00 0.00 C ATOM 1858 CE LYS B 34 1.524 -10.232 0.063 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.870 -10.238 0.638 1.00 0.00 N ATOM 0 H LYS B 34 -2.569 -8.787 -1.313 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.166 -9.470 1.414 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.600 -8.736 0.005 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.693 -9.078 1.721 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.585 -11.390 1.058 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.083 -10.997 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.690 -10.938 1.912 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.743 -12.147 0.644 1.00 0.00 H new ATOM 0 HE2 LYS B 34 1.573 -10.587 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.153 -9.208 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 3.473 -9.570 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.822 -9.954 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 3.273 -11.194 0.569 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.711 -7.285 2.544 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.519 -6.046 3.219 1.00 0.00 C ATOM 1875 C ILE B 35 -1.398 -6.304 4.225 1.00 0.00 C ATOM 1876 O ILE B 35 -1.630 -6.946 5.258 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.784 -5.599 4.024 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.099 -5.826 3.252 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.670 -4.145 4.435 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.241 -5.080 1.940 1.00 0.00 C ATOM 0 H ILE B 35 -3.026 -8.043 3.149 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.301 -5.263 2.493 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.821 -6.228 4.913 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.200 -6.893 3.052 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -5.929 -5.543 3.899 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.560 -3.854 4.994 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.788 -4.012 5.062 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.580 -3.521 3.546 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.204 -5.318 1.489 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.181 -4.007 2.123 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -4.440 -5.378 1.264 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.194 -5.930 3.886 1.00 0.00 N ATOM 1893 CA ASP B 36 0.936 -6.092 4.797 1.00 0.00 C ATOM 1894 C ASP B 36 1.278 -4.746 5.385 1.00 0.00 C ATOM 1895 O ASP B 36 1.272 -3.737 4.677 1.00 0.00 O ATOM 1896 CB ASP B 36 2.210 -6.705 4.118 1.00 0.00 C ATOM 1897 CG ASP B 36 2.226 -8.230 3.949 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.231 -8.970 4.982 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.312 -8.713 2.782 1.00 0.00 O ATOM 0 H ASP B 36 0.043 -5.509 2.987 1.00 0.00 H new ATOM 0 HA ASP B 36 0.629 -6.800 5.567 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.324 -6.251 3.134 1.00 0.00 H new ATOM 0 HB3 ASP B 36 3.082 -6.417 4.705 1.00 0.00 H new ATOM 1904 N LEU B 37 1.518 -4.694 6.666 1.00 0.00 N ATOM 1905 CA LEU B 37 1.882 -3.510 7.284 1.00 0.00 C ATOM 1906 C LEU B 37 3.390 -3.490 7.296 1.00 0.00 C ATOM 1907 O LEU B 37 4.033 -4.430 7.761 1.00 0.00 O ATOM 1908 CB LEU B 37 1.315 -3.491 8.702 1.00 0.00 C ATOM 1909 CG LEU B 37 1.192 -2.135 9.400 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.515 -1.461 9.541 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.199 -1.257 8.686 1.00 0.00 C ATOM 0 H LEU B 37 1.458 -5.497 7.292 1.00 0.00 H new ATOM 0 HA LEU B 37 1.495 -2.633 6.766 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.324 -3.945 8.673 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.941 -4.132 9.322 1.00 0.00 H new ATOM 0 HG LEU B 37 0.820 -2.315 10.409 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.383 -0.502 10.041 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.182 -2.089 10.131 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.948 -1.299 8.554 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.127 -0.298 9.199 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.528 -1.096 7.659 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.778 -1.741 8.682 1.00 0.00 H new ATOM 1923 N VAL B 38 3.926 -2.444 6.782 1.00 0.00 N ATOM 1924 CA VAL B 38 5.368 -2.266 6.661 1.00 0.00 C ATOM 1925 C VAL B 38 5.664 -0.792 6.821 1.00 0.00 C ATOM 1926 O VAL B 38 4.953 0.030 6.257 1.00 0.00 O ATOM 1927 CB VAL B 38 5.927 -2.707 5.258 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.446 -2.642 5.231 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.461 -4.098 4.848 1.00 0.00 C ATOM 0 H VAL B 38 3.384 -1.659 6.420 1.00 0.00 H new ATOM 0 HA VAL B 38 5.842 -2.886 7.422 1.00 0.00 H new ATOM 0 HB VAL B 38 5.523 -2.000 4.534 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.806 -2.952 4.250 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.770 -1.621 5.430 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.852 -3.307 5.993 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.878 -4.348 3.872 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.799 -4.827 5.585 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.373 -4.116 4.793 1.00 0.00 H new ATOM 1939 N ASP B 39 6.658 -0.464 7.645 1.00 0.00 N ATOM 1940 CA ASP B 39 7.146 0.930 7.851 1.00 0.00 C ATOM 1941 C ASP B 39 6.041 1.875 8.312 1.00 0.00 C ATOM 1942 O ASP B 39 6.130 3.100 8.127 1.00 0.00 O ATOM 1943 CB ASP B 39 7.815 1.496 6.579 1.00 0.00 C ATOM 1944 CG ASP B 39 9.036 0.727 6.125 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.970 0.524 6.927 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.079 0.302 4.947 1.00 0.00 O ATOM 0 H ASP B 39 7.163 -1.154 8.201 1.00 0.00 H new ATOM 0 HA ASP B 39 7.891 0.868 8.645 1.00 0.00 H new ATOM 0 HB2 ASP B 39 7.084 1.504 5.771 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.100 2.532 6.762 1.00 0.00 H new ATOM 1951 N GLY B 40 5.022 1.316 8.935 1.00 0.00 N ATOM 1952 CA GLY B 40 3.922 2.102 9.426 1.00 0.00 C ATOM 1953 C GLY B 40 2.931 2.508 8.350 1.00 0.00 C ATOM 1954 O GLY B 40 2.142 3.426 8.557 1.00 0.00 O ATOM 0 H GLY B 40 4.939 0.315 9.111 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.397 1.535 10.195 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.314 3.000 9.904 1.00 0.00 H new ATOM 1958 N LYS B 41 2.968 1.849 7.207 1.00 0.00 N ATOM 1959 CA LYS B 41 2.033 2.149 6.150 1.00 0.00 C ATOM 1960 C LYS B 41 1.397 0.865 5.660 1.00 0.00 C ATOM 1961 O LYS B 41 1.863 -0.241 5.997 1.00 0.00 O ATOM 1962 CB LYS B 41 2.736 2.897 5.001 1.00 0.00 C ATOM 1963 CG LYS B 41 3.721 2.073 4.200 1.00 0.00 C ATOM 1964 CD LYS B 41 4.625 2.936 3.337 1.00 0.00 C ATOM 1965 CE LYS B 41 5.654 3.697 4.165 1.00 0.00 C ATOM 1966 NZ LYS B 41 6.415 4.648 3.343 1.00 0.00 N ATOM 0 H LYS B 41 3.634 1.107 6.992 1.00 0.00 H new ATOM 0 HA LYS B 41 1.250 2.802 6.535 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.976 3.285 4.323 1.00 0.00 H new ATOM 0 HB3 LYS B 41 3.261 3.757 5.417 1.00 0.00 H new ATOM 0 HG2 LYS B 41 4.331 1.478 4.880 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.176 1.374 3.566 1.00 0.00 H new ATOM 0 HD2 LYS B 41 5.139 2.307 2.610 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.018 3.645 2.773 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.150 4.233 4.969 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.339 2.990 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 7.385 4.725 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 6.442 4.312 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 5.957 5.581 3.378 1.00 0.00 H new ATOM 1980 N LEU B 42 0.364 0.999 4.874 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.347 -0.131 4.348 1.00 0.00 C ATOM 1982 C LEU B 42 0.168 -0.461 2.997 1.00 0.00 C ATOM 1983 O LEU B 42 0.084 0.332 2.059 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.843 0.135 4.310 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.495 0.242 5.665 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.864 0.890 5.547 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.635 -1.133 6.302 1.00 0.00 C ATOM 0 H LEU B 42 -0.009 1.901 4.579 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.184 -0.985 5.005 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.021 1.060 3.762 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.327 -0.665 3.750 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.860 0.863 6.297 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.320 0.959 6.535 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.758 1.890 5.125 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.497 0.287 4.896 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.108 -1.035 7.279 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.249 -1.769 5.664 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.649 -1.582 6.420 1.00 0.00 H new ATOM 1999 N ILE B 43 0.738 -1.591 2.920 1.00 0.00 N ATOM 2000 CA ILE B 43 1.302 -2.084 1.702 1.00 0.00 C ATOM 2001 C ILE B 43 0.345 -3.070 1.117 1.00 0.00 C ATOM 2002 O ILE B 43 0.033 -4.100 1.728 1.00 0.00 O ATOM 2003 CB ILE B 43 2.657 -2.764 1.951 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.609 -1.818 2.673 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.278 -3.295 0.660 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.910 -0.531 1.952 1.00 0.00 C ATOM 0 H ILE B 43 0.837 -2.227 3.711 1.00 0.00 H new ATOM 0 HA ILE B 43 1.470 -1.252 1.019 1.00 0.00 H new ATOM 0 HB ILE B 43 2.477 -3.626 2.593 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.186 -1.578 3.648 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.548 -2.342 2.853 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.234 -3.767 0.884 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.608 -4.027 0.208 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.435 -2.470 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.596 0.069 2.550 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.368 -0.753 0.988 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.985 0.023 1.795 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.127 -2.760 -0.026 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.103 -3.579 -0.671 1.00 0.00 C ATOM 2020 C ILE B 44 -0.547 -4.113 -1.951 1.00 0.00 C ATOM 2021 O ILE B 44 -0.127 -3.361 -2.838 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.447 -2.830 -0.921 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.071 -2.408 0.419 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.425 -3.698 -1.729 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.406 -1.709 0.290 1.00 0.00 C ATOM 0 H ILE B 44 0.146 -1.930 -0.553 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.333 -4.406 0.000 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.238 -1.936 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.196 -3.293 1.043 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.377 -1.747 0.938 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.353 -3.149 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.981 -3.946 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.636 -4.616 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.776 -1.445 1.281 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.287 -0.804 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -5.119 -2.373 -0.199 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.545 -5.388 -2.046 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.046 -6.067 -3.194 1.00 0.00 C ATOM 2039 C GLU B 45 -1.120 -7.043 -3.547 1.00 0.00 C ATOM 2040 O GLU B 45 -1.852 -7.483 -2.641 1.00 0.00 O ATOM 2041 CB GLU B 45 1.235 -6.861 -2.884 1.00 0.00 C ATOM 2042 CG GLU B 45 2.418 -6.099 -2.281 1.00 0.00 C ATOM 2043 CD GLU B 45 3.600 -7.010 -2.043 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.549 -7.871 -1.131 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.596 -6.906 -2.789 1.00 0.00 O ATOM 0 H GLU B 45 -0.896 -6.008 -1.316 1.00 0.00 H new ATOM 0 HA GLU B 45 0.197 -5.357 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU B 45 0.972 -7.667 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.573 -7.326 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.710 -5.290 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.115 -5.641 -1.340 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.276 -7.426 -4.793 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.275 -8.350 -5.145 1.00 0.00 C ATOM 2054 C PRO B 46 -1.756 -9.753 -4.894 1.00 0.00 C ATOM 2055 O PRO B 46 -0.560 -9.945 -4.596 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.521 -8.091 -6.636 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.538 -7.050 -7.024 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.477 -7.071 -5.956 1.00 0.00 C ATOM 0 HA PRO B 46 -3.196 -8.248 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.381 -9.000 -7.221 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.542 -7.752 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.111 -7.261 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.010 -6.070 -7.087 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.303 -7.804 -6.162 1.00 0.00 H new ATOM 0 HD3 PRO B 46 0.015 -6.105 -5.842 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.589 -10.704 -4.978 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.143 -12.057 -4.740 1.00 0.00 C ATOM 2068 C VAL B 47 -2.097 -12.749 -6.051 1.00 0.00 C ATOM 2069 O VAL B 47 -3.118 -12.844 -6.737 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.030 -12.888 -3.755 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.400 -14.219 -3.481 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.235 -12.189 -2.447 1.00 0.00 C ATOM 0 H VAL B 47 -3.578 -10.601 -5.205 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.169 -11.987 -4.257 1.00 0.00 H new ATOM 0 HB VAL B 47 -3.998 -13.013 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.029 -14.785 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.295 -14.771 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.417 -14.071 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.857 -12.806 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.270 -12.019 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.728 -11.232 -2.619 1.00 0.00 H new