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 Single : A 3 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -163:sc= -2.29! USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 1.19 (180deg=1.1) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot -160:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 22 MET CE :methyl -133:sc= -0.462 (180deg=-1.47) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 26 ASN : amide:sc=-0.00718 K(o=-0.0072,f=-0.92) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 131:sc= 1.27 (180deg=-0.681) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.22) USER MOD Single : B 3 HIS : no HE2:sc= 0.55 K(o=0.55,f=-1.8!) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -164:sc= -2.81! USER MOD Single : B 7 LYS NZ :NH3+ 176:sc= 1.1 (180deg=0.95) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 SER OG : rot -140:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : B 22 MET CE :methyl -138:sc= -0.638 (180deg=-1.42) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 26 ASN : amide:sc= -0.0764 X(o=-0.076,f=-0.55) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 140:sc= 1.16 (180deg=-0.507) USER MOD Single : B 41 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.991 -9.707 6.126 1.00 0.00 N ATOM 280 CA ILE A 2 -4.414 -9.846 6.181 1.00 0.00 C ATOM 281 C ILE A 2 -4.931 -10.153 4.791 1.00 0.00 C ATOM 282 O ILE A 2 -4.659 -9.404 3.850 1.00 0.00 O ATOM 283 CB ILE A 2 -5.059 -8.545 6.709 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.411 -8.145 8.042 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.566 -8.724 6.877 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.837 -6.792 8.549 1.00 0.00 C ATOM 0 HA ILE A 2 -4.674 -10.659 6.859 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.891 -7.749 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.655 -8.896 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.327 -8.153 7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.003 -7.798 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.012 -8.974 5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.760 -9.528 7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.336 -6.583 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.568 -6.029 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.916 -6.784 8.701 1.00 0.00 H new ATOM 298 N HIS A 3 -5.626 -11.259 4.657 1.00 0.00 N ATOM 299 CA HIS A 3 -6.194 -11.649 3.389 1.00 0.00 C ATOM 300 C HIS A 3 -7.623 -11.217 3.272 1.00 0.00 C ATOM 301 O HIS A 3 -8.545 -11.863 3.783 1.00 0.00 O ATOM 302 CB HIS A 3 -6.049 -13.150 3.097 1.00 0.00 C ATOM 303 CG HIS A 3 -4.686 -13.548 2.633 1.00 0.00 C ATOM 304 ND1 HIS A 3 -4.432 -14.154 1.417 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.488 -13.431 3.247 1.00 0.00 C ATOM 306 CE1 HIS A 3 -3.127 -14.377 1.332 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.498 -13.956 2.424 1.00 0.00 N ATOM 0 H HIS A 3 -5.812 -11.910 5.420 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.613 -11.128 2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.293 -13.711 3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.778 -13.434 2.338 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.127 -14.389 0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.325 -12.998 4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.640 -14.840 0.486 1.00 0.00 H new ATOM 315 N SER A 4 -7.788 -10.111 2.661 1.00 0.00 N ATOM 316 CA SER A 4 -9.072 -9.576 2.355 1.00 0.00 C ATOM 317 C SER A 4 -9.244 -9.639 0.849 1.00 0.00 C ATOM 318 O SER A 4 -8.493 -10.336 0.182 1.00 0.00 O ATOM 319 CB SER A 4 -9.161 -8.143 2.864 1.00 0.00 C ATOM 320 OG SER A 4 -9.210 -8.088 4.281 1.00 0.00 O ATOM 0 H SER A 4 -7.014 -9.526 2.345 1.00 0.00 H new ATOM 0 HA SER A 4 -9.866 -10.146 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.300 -7.577 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.049 -7.665 2.451 1.00 0.00 H new ATOM 0 HG SER A 4 -9.265 -7.153 4.570 1.00 0.00 H new ATOM 326 N SER A 5 -10.190 -8.931 0.317 1.00 0.00 N ATOM 327 CA SER A 5 -10.428 -8.940 -1.092 1.00 0.00 C ATOM 328 C SER A 5 -11.036 -7.623 -1.521 1.00 0.00 C ATOM 329 O SER A 5 -11.604 -6.890 -0.694 1.00 0.00 O ATOM 330 CB SER A 5 -11.310 -10.142 -1.488 1.00 0.00 C ATOM 331 OG SER A 5 -12.478 -10.211 -0.693 1.00 0.00 O ATOM 0 H SER A 5 -10.820 -8.330 0.848 1.00 0.00 H new ATOM 0 HA SER A 5 -9.479 -9.055 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.588 -10.060 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.740 -11.065 -1.380 1.00 0.00 H new ATOM 0 HG SER A 5 -12.874 -11.104 -0.771 1.00 0.00 H new ATOM 337 N VAL A 6 -10.873 -7.300 -2.772 1.00 0.00 N ATOM 338 CA VAL A 6 -11.424 -6.084 -3.326 1.00 0.00 C ATOM 339 C VAL A 6 -12.844 -6.343 -3.694 1.00 0.00 C ATOM 340 O VAL A 6 -13.120 -7.180 -4.543 1.00 0.00 O ATOM 341 CB VAL A 6 -10.670 -5.643 -4.593 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.169 -4.300 -5.097 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.202 -5.600 -4.322 1.00 0.00 C ATOM 0 H VAL A 6 -10.355 -7.869 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.335 -5.294 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.862 -6.374 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.615 -4.019 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.230 -4.372 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.020 -3.544 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.675 -5.287 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.001 -4.891 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.858 -6.591 -4.026 1.00 0.00 H new ATOM 353 N LYS A 7 -13.739 -5.672 -3.077 1.00 0.00 N ATOM 354 CA LYS A 7 -15.112 -5.894 -3.359 1.00 0.00 C ATOM 355 C LYS A 7 -15.663 -4.688 -4.097 1.00 0.00 C ATOM 356 O LYS A 7 -14.963 -3.690 -4.268 1.00 0.00 O ATOM 357 CB LYS A 7 -15.877 -6.160 -2.076 1.00 0.00 C ATOM 358 CG LYS A 7 -15.451 -7.392 -1.293 1.00 0.00 C ATOM 359 CD LYS A 7 -15.753 -8.680 -2.036 1.00 0.00 C ATOM 360 CE LYS A 7 -15.540 -9.881 -1.132 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.909 -11.153 -1.776 1.00 0.00 N ATOM 0 H LYS A 7 -13.550 -4.961 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.226 -6.774 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.777 -5.289 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.935 -6.256 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.382 -7.337 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.962 -7.402 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.782 -8.666 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.110 -8.760 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.493 -9.922 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.129 -9.755 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.105 -11.868 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.758 -11.013 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.125 -11.478 -2.377 1.00 0.00 H new ATOM 375 N ARG A 8 -16.879 -4.766 -4.543 1.00 0.00 N ATOM 376 CA ARG A 8 -17.463 -3.686 -5.280 1.00 0.00 C ATOM 377 C ARG A 8 -18.477 -2.941 -4.429 1.00 0.00 C ATOM 378 O ARG A 8 -19.472 -3.510 -3.991 1.00 0.00 O ATOM 379 CB ARG A 8 -18.102 -4.189 -6.559 1.00 0.00 C ATOM 380 CG ARG A 8 -18.656 -3.083 -7.428 1.00 0.00 C ATOM 381 CD ARG A 8 -19.145 -3.633 -8.731 1.00 0.00 C ATOM 382 NE ARG A 8 -18.054 -3.841 -9.705 1.00 0.00 N ATOM 383 CZ ARG A 8 -17.979 -4.855 -10.588 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.841 -5.863 -10.541 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.017 -4.864 -11.503 1.00 0.00 N ATOM 0 H ARG A 8 -17.490 -5.571 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.668 -2.991 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.363 -4.753 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.906 -4.881 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.473 -2.580 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.885 -2.334 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.654 -4.580 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.881 -2.951 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.295 -3.160 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.572 -5.876 -9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.773 -6.624 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.337 -4.104 -11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.958 -5.631 -12.173 1.00 0.00 H new ATOM 399 N TRP A 9 -18.189 -1.703 -4.170 1.00 0.00 N ATOM 400 CA TRP A 9 -19.050 -0.822 -3.419 1.00 0.00 C ATOM 401 C TRP A 9 -19.718 0.081 -4.432 1.00 0.00 C ATOM 402 O TRP A 9 -19.101 1.021 -4.940 1.00 0.00 O ATOM 403 CB TRP A 9 -18.190 -0.019 -2.424 1.00 0.00 C ATOM 404 CG TRP A 9 -18.899 0.931 -1.496 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.230 1.006 -1.248 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.292 1.941 -0.659 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.478 1.949 -0.313 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.334 2.554 0.046 1.00 0.00 C ATOM 409 CE3 TRP A 9 -16.976 2.391 -0.425 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.133 3.569 0.942 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.785 3.406 0.469 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.870 3.985 1.140 1.00 0.00 C ATOM 0 H TRP A 9 -17.325 -1.258 -4.481 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.804 -1.359 -2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.631 -0.729 -1.815 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.460 0.553 -2.997 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -20.983 0.399 -1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.399 2.169 0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.139 1.944 -0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -19.960 4.020 1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.785 3.767 0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.686 4.789 1.837 1.00 0.00 H new ATOM 423 N GLY A 10 -20.926 -0.276 -4.813 1.00 0.00 N ATOM 424 CA GLY A 10 -21.618 0.471 -5.817 1.00 0.00 C ATOM 425 C GLY A 10 -21.051 0.126 -7.152 1.00 0.00 C ATOM 426 O GLY A 10 -21.124 -1.030 -7.588 1.00 0.00 O ATOM 0 H GLY A 10 -21.439 -1.075 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.683 0.243 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.516 1.540 -5.629 1.00 0.00 H new ATOM 430 N ASN A 11 -20.488 1.088 -7.803 1.00 0.00 N ATOM 431 CA ASN A 11 -19.783 0.850 -9.041 1.00 0.00 C ATOM 432 C ASN A 11 -18.296 1.150 -8.893 1.00 0.00 C ATOM 433 O ASN A 11 -17.636 1.469 -9.871 1.00 0.00 O ATOM 434 CB ASN A 11 -20.394 1.673 -10.181 1.00 0.00 C ATOM 435 CG ASN A 11 -21.744 1.148 -10.630 1.00 0.00 C ATOM 436 OD1 ASN A 11 -22.788 1.522 -10.087 1.00 0.00 O ATOM 437 ND2 ASN A 11 -21.742 0.291 -11.619 1.00 0.00 N ATOM 0 H ASN A 11 -20.497 2.063 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.888 -0.206 -9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.502 2.708 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.710 1.674 -11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -22.622 -0.090 -11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -20.860 0.004 -12.044 1.00 0.00 H new ATOM 444 N SER A 12 -17.744 0.982 -7.684 1.00 0.00 N ATOM 445 CA SER A 12 -16.373 1.267 -7.443 1.00 0.00 C ATOM 446 C SER A 12 -15.760 0.173 -6.577 1.00 0.00 C ATOM 447 O SER A 12 -16.386 -0.301 -5.634 1.00 0.00 O ATOM 448 CB SER A 12 -16.225 2.627 -6.760 1.00 0.00 C ATOM 449 OG SER A 12 -16.737 3.671 -7.577 1.00 0.00 O ATOM 0 H SER A 12 -18.254 0.646 -6.867 1.00 0.00 H new ATOM 0 HA SER A 12 -15.847 1.300 -8.397 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.752 2.617 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.174 2.815 -6.542 1.00 0.00 H new ATOM 0 HG SER A 12 -16.360 4.528 -7.287 1.00 0.00 H new ATOM 455 N PRO A 13 -14.584 -0.298 -6.944 1.00 0.00 N ATOM 456 CA PRO A 13 -13.849 -1.267 -6.155 1.00 0.00 C ATOM 457 C PRO A 13 -13.377 -0.660 -4.830 1.00 0.00 C ATOM 458 O PRO A 13 -12.795 0.439 -4.795 1.00 0.00 O ATOM 459 CB PRO A 13 -12.654 -1.650 -7.028 1.00 0.00 C ATOM 460 CG PRO A 13 -12.579 -0.634 -8.111 1.00 0.00 C ATOM 461 CD PRO A 13 -13.901 0.064 -8.181 1.00 0.00 C ATOM 0 HA PRO A 13 -14.465 -2.127 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.734 -1.662 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.781 -2.650 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.781 0.080 -7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.348 -1.109 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.774 1.144 -8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.470 -0.255 -9.054 1.00 0.00 H new ATOM 469 N ALA A 14 -13.646 -1.350 -3.758 1.00 0.00 N ATOM 470 CA ALA A 14 -13.290 -0.892 -2.455 1.00 0.00 C ATOM 471 C ALA A 14 -12.750 -2.036 -1.625 1.00 0.00 C ATOM 472 O ALA A 14 -13.241 -3.175 -1.707 1.00 0.00 O ATOM 473 CB ALA A 14 -14.493 -0.260 -1.773 1.00 0.00 C ATOM 0 H ALA A 14 -14.122 -2.252 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.510 -0.137 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.208 0.085 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.844 0.586 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.291 -0.998 -1.686 1.00 0.00 H new ATOM 479 N VAL A 15 -11.732 -1.753 -0.866 1.00 0.00 N ATOM 480 CA VAL A 15 -11.143 -2.731 0.020 1.00 0.00 C ATOM 481 C VAL A 15 -11.538 -2.393 1.440 1.00 0.00 C ATOM 482 O VAL A 15 -11.554 -1.218 1.814 1.00 0.00 O ATOM 483 CB VAL A 15 -9.583 -2.773 -0.104 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.968 -3.783 0.867 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.177 -3.123 -1.518 1.00 0.00 C ATOM 0 H VAL A 15 -11.282 -0.838 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.513 -3.718 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.209 -1.781 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.884 -3.784 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.224 -3.507 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.357 -4.778 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.090 -3.148 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.581 -4.101 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.568 -2.372 -2.205 1.00 0.00 H new ATOM 495 N ARG A 16 -11.910 -3.404 2.194 1.00 0.00 N ATOM 496 CA ARG A 16 -12.258 -3.244 3.581 1.00 0.00 C ATOM 497 C ARG A 16 -10.999 -3.155 4.430 1.00 0.00 C ATOM 498 O ARG A 16 -10.167 -4.067 4.407 1.00 0.00 O ATOM 499 CB ARG A 16 -13.091 -4.430 4.053 1.00 0.00 C ATOM 500 CG ARG A 16 -14.439 -4.553 3.406 1.00 0.00 C ATOM 501 CD ARG A 16 -15.221 -5.677 4.031 1.00 0.00 C ATOM 502 NE ARG A 16 -16.553 -5.835 3.429 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.729 -5.560 4.037 1.00 0.00 C ATOM 504 NH1 ARG A 16 -17.759 -5.091 5.292 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.871 -5.772 3.388 1.00 0.00 N ATOM 0 H ARG A 16 -11.979 -4.364 1.856 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.836 -2.326 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.530 -5.346 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.228 -4.353 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.987 -3.617 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.321 -4.734 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.664 -6.608 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.328 -5.491 5.100 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.593 -6.182 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.888 -4.937 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.653 -4.888 5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.856 -6.140 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.761 -5.566 3.842 1.00 0.00 H new ATOM 519 N ILE A 17 -10.852 -2.082 5.148 1.00 0.00 N ATOM 520 CA ILE A 17 -9.732 -1.918 6.046 1.00 0.00 C ATOM 521 C ILE A 17 -10.198 -2.241 7.469 1.00 0.00 C ATOM 522 O ILE A 17 -11.259 -1.787 7.887 1.00 0.00 O ATOM 523 CB ILE A 17 -9.081 -0.469 5.976 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.270 -0.240 4.693 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.201 -0.165 7.155 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.081 -0.052 3.467 1.00 0.00 C ATOM 0 H ILE A 17 -11.499 -1.294 5.133 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.946 -2.607 5.737 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.934 0.209 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.639 0.638 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.605 -1.091 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.786 0.837 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.789 -0.220 8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.389 -0.891 7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.420 0.103 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.693 -0.938 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.727 0.818 3.588 1.00 0.00 H new ATOM 538 N PRO A 18 -9.476 -3.104 8.189 1.00 0.00 N ATOM 539 CA PRO A 18 -9.816 -3.443 9.566 1.00 0.00 C ATOM 540 C PRO A 18 -9.641 -2.244 10.511 1.00 0.00 C ATOM 541 O PRO A 18 -8.624 -1.518 10.443 1.00 0.00 O ATOM 542 CB PRO A 18 -8.838 -4.565 9.932 1.00 0.00 C ATOM 543 CG PRO A 18 -7.730 -4.466 8.939 1.00 0.00 C ATOM 544 CD PRO A 18 -8.301 -3.844 7.702 1.00 0.00 C ATOM 0 HA PRO A 18 -10.860 -3.741 9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.465 -4.445 10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.323 -5.540 9.883 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.913 -3.861 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.320 -5.452 8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.583 -3.181 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.581 -4.599 6.967 1.00 0.00 H new ATOM 552 N ALA A 19 -10.613 -2.057 11.404 1.00 0.00 N ATOM 553 CA ALA A 19 -10.629 -0.947 12.370 1.00 0.00 C ATOM 554 C ALA A 19 -9.383 -0.962 13.249 1.00 0.00 C ATOM 555 O ALA A 19 -8.890 0.075 13.674 1.00 0.00 O ATOM 556 CB ALA A 19 -11.887 -1.011 13.226 1.00 0.00 C ATOM 0 H ALA A 19 -11.421 -2.675 11.482 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.631 -0.011 11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.886 -0.184 13.936 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.767 -0.939 12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.910 -1.956 13.769 1.00 0.00 H new ATOM 562 N THR A 20 -8.870 -2.143 13.469 1.00 0.00 N ATOM 563 CA THR A 20 -7.674 -2.375 14.239 1.00 0.00 C ATOM 564 C THR A 20 -6.464 -1.594 13.644 1.00 0.00 C ATOM 565 O THR A 20 -5.612 -1.071 14.369 1.00 0.00 O ATOM 566 CB THR A 20 -7.387 -3.869 14.172 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.656 -4.571 14.215 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.534 -4.293 15.349 1.00 0.00 C ATOM 0 H THR A 20 -9.286 -3.000 13.105 1.00 0.00 H new ATOM 0 HA THR A 20 -7.818 -2.034 15.264 1.00 0.00 H new ATOM 0 HB THR A 20 -6.848 -4.103 13.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.497 -5.537 14.171 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.337 -5.363 15.288 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.590 -3.748 15.329 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.060 -4.073 16.278 1.00 0.00 H new ATOM 576 N LEU A 21 -6.430 -1.500 12.324 1.00 0.00 N ATOM 577 CA LEU A 21 -5.359 -0.818 11.607 1.00 0.00 C ATOM 578 C LEU A 21 -5.641 0.630 11.514 1.00 0.00 C ATOM 579 O LEU A 21 -4.732 1.460 11.521 1.00 0.00 O ATOM 580 CB LEU A 21 -5.178 -1.414 10.230 1.00 0.00 C ATOM 581 CG LEU A 21 -4.287 -2.638 10.139 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.835 -2.231 10.311 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.650 -3.678 11.187 1.00 0.00 C ATOM 0 H LEU A 21 -7.147 -1.896 11.715 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.431 -0.953 12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.161 -1.677 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.770 -0.644 9.575 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.436 -3.084 9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.199 -3.114 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.559 -1.526 9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.702 -1.760 11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.989 -4.539 11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.539 -3.246 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.683 -3.995 11.043 1.00 0.00 H new ATOM 595 N MET A 22 -6.903 0.922 11.431 1.00 0.00 N ATOM 596 CA MET A 22 -7.399 2.299 11.457 1.00 0.00 C ATOM 597 C MET A 22 -6.865 2.998 12.681 1.00 0.00 C ATOM 598 O MET A 22 -6.260 4.061 12.599 1.00 0.00 O ATOM 599 CB MET A 22 -8.920 2.327 11.487 1.00 0.00 C ATOM 600 CG MET A 22 -9.610 1.791 10.253 1.00 0.00 C ATOM 601 SD MET A 22 -9.485 2.890 8.845 1.00 0.00 S ATOM 602 CE MET A 22 -10.390 4.298 9.483 1.00 0.00 C ATOM 0 H MET A 22 -7.637 0.220 11.342 1.00 0.00 H new ATOM 0 HA MET A 22 -7.059 2.807 10.555 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.259 1.752 12.349 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.243 3.356 11.643 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.177 0.825 9.992 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.662 1.618 10.479 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.102 4.643 8.733 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.926 4.007 10.386 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.693 5.102 9.718 1.00 0.00 H new ATOM 612 N GLN A 23 -7.064 2.367 13.801 1.00 0.00 N ATOM 613 CA GLN A 23 -6.565 2.856 15.068 1.00 0.00 C ATOM 614 C GLN A 23 -5.047 2.811 15.109 1.00 0.00 C ATOM 615 O GLN A 23 -4.411 3.701 15.671 1.00 0.00 O ATOM 616 CB GLN A 23 -7.087 2.010 16.200 1.00 0.00 C ATOM 617 CG GLN A 23 -8.582 1.899 16.256 1.00 0.00 C ATOM 618 CD GLN A 23 -9.029 1.120 17.464 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.312 0.242 17.949 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.199 1.400 17.940 1.00 0.00 N ATOM 0 H GLN A 23 -7.581 1.490 13.869 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.906 3.886 15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.664 1.009 16.114 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.731 2.426 17.142 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.022 2.896 16.281 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.947 1.412 15.352 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.762 2.134 17.510 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.558 0.887 18.745 1.00 0.00 H new ATOM 629 N ALA A 24 -4.465 1.800 14.464 1.00 0.00 N ATOM 630 CA ALA A 24 -3.004 1.586 14.531 1.00 0.00 C ATOM 631 C ALA A 24 -2.236 2.739 13.906 1.00 0.00 C ATOM 632 O ALA A 24 -1.173 3.136 14.385 1.00 0.00 O ATOM 633 CB ALA A 24 -2.612 0.276 13.863 1.00 0.00 C ATOM 0 H ALA A 24 -4.968 1.120 13.894 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.738 1.536 15.587 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.532 0.144 13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.109 -0.553 14.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.914 0.297 12.816 1.00 0.00 H new ATOM 639 N LEU A 25 -2.800 3.292 12.874 1.00 0.00 N ATOM 640 CA LEU A 25 -2.180 4.373 12.135 1.00 0.00 C ATOM 641 C LEU A 25 -2.899 5.685 12.388 1.00 0.00 C ATOM 642 O LEU A 25 -2.581 6.719 11.798 1.00 0.00 O ATOM 643 CB LEU A 25 -2.192 3.986 10.687 1.00 0.00 C ATOM 644 CG LEU A 25 -1.302 2.780 10.399 1.00 0.00 C ATOM 645 CD1 LEU A 25 -1.747 2.076 9.170 1.00 0.00 C ATOM 646 CD2 LEU A 25 0.129 3.243 10.219 1.00 0.00 C ATOM 0 H LEU A 25 -3.711 3.010 12.511 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.152 4.531 12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.214 3.761 10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.859 4.832 10.085 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.371 2.090 11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.097 1.220 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.773 1.732 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.698 2.759 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.766 2.383 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.183 3.943 9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.469 3.737 11.129 1.00 0.00 H new ATOM 658 N ASN A 26 -3.856 5.598 13.288 1.00 0.00 N ATOM 659 CA ASN A 26 -4.708 6.687 13.748 1.00 0.00 C ATOM 660 C ASN A 26 -5.354 7.462 12.611 1.00 0.00 C ATOM 661 O ASN A 26 -5.046 8.636 12.367 1.00 0.00 O ATOM 662 CB ASN A 26 -4.015 7.630 14.759 1.00 0.00 C ATOM 663 CG ASN A 26 -4.996 8.610 15.393 1.00 0.00 C ATOM 664 OD1 ASN A 26 -6.183 8.296 15.561 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.527 9.791 15.749 1.00 0.00 N ATOM 0 H ASN A 26 -4.077 4.715 13.748 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.514 6.193 14.291 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.539 7.037 15.540 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.224 8.185 14.254 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.147 10.478 16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.544 10.017 15.596 1.00 0.00 H new ATOM 672 N LEU A 27 -6.167 6.788 11.861 1.00 0.00 N ATOM 673 CA LEU A 27 -6.937 7.410 10.872 1.00 0.00 C ATOM 674 C LEU A 27 -8.396 7.169 11.166 1.00 0.00 C ATOM 675 O LEU A 27 -8.752 6.199 11.852 1.00 0.00 O ATOM 676 CB LEU A 27 -6.597 6.926 9.479 1.00 0.00 C ATOM 677 CG LEU A 27 -6.774 5.454 9.191 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.276 5.304 7.788 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.455 4.731 9.336 1.00 0.00 C ATOM 0 H LEU A 27 -6.305 5.780 11.932 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.715 8.477 10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.209 7.484 8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.558 7.186 9.277 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.485 5.024 9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.410 4.246 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.230 5.821 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.553 5.735 7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.596 3.671 9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.733 5.147 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.083 4.853 10.353 1.00 0.00 H new ATOM 691 N ASN A 28 -9.226 8.032 10.670 1.00 0.00 N ATOM 692 CA ASN A 28 -10.649 7.945 10.890 1.00 0.00 C ATOM 693 C ASN A 28 -11.351 7.974 9.566 1.00 0.00 C ATOM 694 O ASN A 28 -10.704 8.026 8.518 1.00 0.00 O ATOM 695 CB ASN A 28 -11.154 9.104 11.778 1.00 0.00 C ATOM 696 CG ASN A 28 -10.599 9.079 13.191 1.00 0.00 C ATOM 697 OD1 ASN A 28 -11.162 8.450 14.070 1.00 0.00 O ATOM 698 ND2 ASN A 28 -9.523 9.788 13.423 1.00 0.00 N ATOM 0 H ASN A 28 -8.941 8.825 10.096 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.864 7.011 11.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.887 10.051 11.309 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.242 9.067 11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.130 9.826 14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.077 10.302 12.663 1.00 0.00 H new ATOM 705 N ILE A 29 -12.655 7.928 9.596 1.00 0.00 N ATOM 706 CA ILE A 29 -13.436 8.003 8.383 1.00 0.00 C ATOM 707 C ILE A 29 -13.373 9.423 7.832 1.00 0.00 C ATOM 708 O ILE A 29 -13.294 10.389 8.603 1.00 0.00 O ATOM 709 CB ILE A 29 -14.927 7.559 8.615 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.998 6.081 9.031 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.805 7.802 7.386 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.411 5.111 8.027 1.00 0.00 C ATOM 0 H ILE A 29 -13.205 7.838 10.450 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.011 7.310 7.657 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.317 8.178 9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.476 5.960 9.980 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.041 5.816 9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.824 7.479 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.804 8.864 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.413 7.236 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.506 4.093 8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.946 5.197 7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.358 5.343 7.870 1.00 0.00 H new ATOM 724 N ASP A 30 -13.323 9.511 6.506 1.00 0.00 N ATOM 725 CA ASP A 30 -13.292 10.747 5.718 1.00 0.00 C ATOM 726 C ASP A 30 -11.887 11.337 5.690 1.00 0.00 C ATOM 727 O ASP A 30 -11.651 12.434 5.180 1.00 0.00 O ATOM 728 CB ASP A 30 -14.364 11.759 6.199 1.00 0.00 C ATOM 729 CG ASP A 30 -14.530 12.947 5.288 1.00 0.00 C ATOM 730 OD1 ASP A 30 -14.903 12.753 4.132 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.318 14.099 5.724 1.00 0.00 O ATOM 0 H ASP A 30 -13.302 8.679 5.917 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.552 10.503 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.321 11.245 6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.097 12.111 7.195 1.00 0.00 H new ATOM 736 N ASP A 31 -10.925 10.563 6.155 1.00 0.00 N ATOM 737 CA ASP A 31 -9.584 11.048 6.223 1.00 0.00 C ATOM 738 C ASP A 31 -8.914 10.749 4.909 1.00 0.00 C ATOM 739 O ASP A 31 -9.010 9.617 4.394 1.00 0.00 O ATOM 740 CB ASP A 31 -8.815 10.427 7.381 1.00 0.00 C ATOM 741 CG ASP A 31 -7.757 11.368 7.893 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.652 11.400 7.362 1.00 0.00 O ATOM 743 OD2 ASP A 31 -8.039 12.127 8.843 1.00 0.00 O ATOM 0 H ASP A 31 -11.057 9.607 6.485 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.596 12.123 6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.505 10.176 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.352 9.495 7.056 1.00 0.00 H new ATOM 748 N GLU A 32 -8.318 11.761 4.342 1.00 0.00 N ATOM 749 CA GLU A 32 -7.708 11.675 3.036 1.00 0.00 C ATOM 750 C GLU A 32 -6.459 10.820 3.060 1.00 0.00 C ATOM 751 O GLU A 32 -5.721 10.783 4.065 1.00 0.00 O ATOM 752 CB GLU A 32 -7.412 13.064 2.443 1.00 0.00 C ATOM 753 CG GLU A 32 -6.263 13.822 3.082 1.00 0.00 C ATOM 754 CD GLU A 32 -6.079 15.198 2.519 1.00 0.00 C ATOM 755 OE1 GLU A 32 -5.797 15.338 1.305 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.236 16.176 3.279 1.00 0.00 O ATOM 0 H GLU A 32 -8.239 12.681 4.775 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.434 11.190 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.199 12.947 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.313 13.672 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.437 13.896 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.342 13.255 2.947 1.00 0.00 H new ATOM 763 N VAL A 33 -6.224 10.121 1.979 1.00 0.00 N ATOM 764 CA VAL A 33 -5.086 9.255 1.893 1.00 0.00 C ATOM 765 C VAL A 33 -4.400 9.386 0.569 1.00 0.00 C ATOM 766 O VAL A 33 -5.018 9.736 -0.443 1.00 0.00 O ATOM 767 CB VAL A 33 -5.378 7.733 2.202 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.207 7.569 3.428 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.053 7.027 1.058 1.00 0.00 C ATOM 0 H VAL A 33 -6.811 10.138 1.145 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.426 9.598 2.690 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.401 7.276 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.386 6.509 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.682 7.998 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.160 8.080 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.229 5.985 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.005 7.512 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.415 7.071 0.176 1.00 0.00 H new ATOM 779 N LYS A 34 -3.135 9.134 0.610 1.00 0.00 N ATOM 780 CA LYS A 34 -2.287 9.122 -0.542 1.00 0.00 C ATOM 781 C LYS A 34 -2.150 7.714 -1.069 1.00 0.00 C ATOM 782 O LYS A 34 -1.609 6.834 -0.378 1.00 0.00 O ATOM 783 CB LYS A 34 -0.899 9.656 -0.178 1.00 0.00 C ATOM 784 CG LYS A 34 -0.809 11.166 -0.071 1.00 0.00 C ATOM 785 CD LYS A 34 0.497 11.638 0.586 1.00 0.00 C ATOM 786 CE LYS A 34 1.770 11.018 -0.023 1.00 0.00 C ATOM 787 NZ LYS A 34 1.865 11.165 -1.494 1.00 0.00 N ATOM 0 H LYS A 34 -2.642 8.922 1.477 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.733 9.757 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.595 9.219 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.185 9.315 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.888 11.602 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.656 11.536 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.560 12.723 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.463 11.399 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.643 11.482 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.802 9.958 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.805 11.531 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.722 10.239 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.135 11.828 -1.825 1.00 0.00 H new ATOM 801 N ILE A 35 -2.692 7.475 -2.234 1.00 0.00 N ATOM 802 CA ILE A 35 -2.459 6.228 -2.903 1.00 0.00 C ATOM 803 C ILE A 35 -1.265 6.434 -3.799 1.00 0.00 C ATOM 804 O ILE A 35 -1.360 7.078 -4.859 1.00 0.00 O ATOM 805 CB ILE A 35 -3.669 5.670 -3.754 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.917 5.377 -2.897 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.266 4.398 -4.500 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.692 6.589 -2.449 1.00 0.00 C ATOM 0 H ILE A 35 -3.295 8.127 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.302 5.473 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.927 6.455 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.584 4.730 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.608 4.818 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.114 4.032 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.436 4.618 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.961 3.637 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.549 6.273 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.048 7.230 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.040 7.141 -3.322 1.00 0.00 H new ATOM 820 N ASP A 36 -0.153 5.985 -3.332 1.00 0.00 N ATOM 821 CA ASP A 36 1.086 6.065 -4.052 1.00 0.00 C ATOM 822 C ASP A 36 1.394 4.707 -4.592 1.00 0.00 C ATOM 823 O ASP A 36 1.180 3.706 -3.918 1.00 0.00 O ATOM 824 CB ASP A 36 2.242 6.504 -3.126 1.00 0.00 C ATOM 825 CG ASP A 36 2.423 7.984 -2.955 1.00 0.00 C ATOM 826 OD1 ASP A 36 1.604 8.642 -2.283 1.00 0.00 O ATOM 827 OD2 ASP A 36 3.470 8.509 -3.413 1.00 0.00 O ATOM 0 H ASP A 36 -0.069 5.540 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 36 0.987 6.800 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.081 6.062 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.171 6.087 -3.515 1.00 0.00 H new ATOM 832 N LEU A 37 1.826 4.633 -5.800 1.00 0.00 N ATOM 833 CA LEU A 37 2.230 3.432 -6.328 1.00 0.00 C ATOM 834 C LEU A 37 3.731 3.392 -6.200 1.00 0.00 C ATOM 835 O LEU A 37 4.403 4.414 -6.378 1.00 0.00 O ATOM 836 CB LEU A 37 1.864 3.390 -7.763 1.00 0.00 C ATOM 837 CG LEU A 37 1.868 2.041 -8.379 1.00 0.00 C ATOM 838 CD1 LEU A 37 0.591 1.311 -8.082 1.00 0.00 C ATOM 839 CD2 LEU A 37 2.145 2.168 -9.805 1.00 0.00 C ATOM 0 H LEU A 37 1.900 5.427 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 37 1.763 2.590 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.870 3.822 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.555 4.026 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 37 2.660 1.432 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.620 0.325 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.476 1.202 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.252 1.875 -8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.149 1.179 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.375 2.782 -10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.118 2.638 -9.946 1.00 0.00 H new ATOM 851 N VAL A 38 4.231 2.260 -5.871 1.00 0.00 N ATOM 852 CA VAL A 38 5.671 2.027 -5.684 1.00 0.00 C ATOM 853 C VAL A 38 5.970 0.591 -6.070 1.00 0.00 C ATOM 854 O VAL A 38 5.413 -0.312 -5.472 1.00 0.00 O ATOM 855 CB VAL A 38 6.142 2.241 -4.187 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.624 1.928 -4.025 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.866 3.657 -3.683 1.00 0.00 C ATOM 0 H VAL A 38 3.662 1.428 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 38 6.205 2.747 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 38 5.556 1.547 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.918 2.084 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.809 0.890 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.207 2.585 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.208 3.749 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.397 4.375 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.796 3.858 -3.729 1.00 0.00 H new ATOM 867 N ASP A 39 6.781 0.399 -7.109 1.00 0.00 N ATOM 868 CA ASP A 39 7.238 -0.942 -7.578 1.00 0.00 C ATOM 869 C ASP A 39 6.082 -1.898 -7.831 1.00 0.00 C ATOM 870 O ASP A 39 6.177 -3.101 -7.573 1.00 0.00 O ATOM 871 CB ASP A 39 8.246 -1.577 -6.596 1.00 0.00 C ATOM 872 CG ASP A 39 9.586 -0.878 -6.576 1.00 0.00 C ATOM 873 OD1 ASP A 39 10.459 -1.215 -7.405 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.799 0.029 -5.731 1.00 0.00 O ATOM 0 H ASP A 39 7.153 1.168 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 39 7.740 -0.771 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.822 -1.563 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.394 -2.623 -6.865 1.00 0.00 H new ATOM 879 N GLY A 40 5.007 -1.365 -8.372 1.00 0.00 N ATOM 880 CA GLY A 40 3.840 -2.163 -8.663 1.00 0.00 C ATOM 881 C GLY A 40 3.087 -2.590 -7.417 1.00 0.00 C ATOM 882 O GLY A 40 2.488 -3.671 -7.379 1.00 0.00 O ATOM 0 H GLY A 40 4.919 -0.379 -8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.170 -1.595 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.143 -3.050 -9.219 1.00 0.00 H new ATOM 886 N LYS A 41 3.139 -1.780 -6.396 1.00 0.00 N ATOM 887 CA LYS A 41 2.430 -2.054 -5.185 1.00 0.00 C ATOM 888 C LYS A 41 1.541 -0.873 -4.873 1.00 0.00 C ATOM 889 O LYS A 41 1.889 0.273 -5.212 1.00 0.00 O ATOM 890 CB LYS A 41 3.408 -2.218 -4.036 1.00 0.00 C ATOM 891 CG LYS A 41 3.096 -3.376 -3.121 1.00 0.00 C ATOM 892 CD LYS A 41 3.473 -4.711 -3.753 1.00 0.00 C ATOM 893 CE LYS A 41 4.986 -4.857 -3.873 1.00 0.00 C ATOM 894 NZ LYS A 41 5.384 -6.170 -4.404 1.00 0.00 N ATOM 0 H LYS A 41 3.675 -0.912 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 41 1.848 -2.967 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.411 -2.350 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.421 -1.299 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.635 -3.253 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.033 -3.374 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.073 -5.527 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.018 -4.790 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.373 -4.073 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.441 -4.712 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.418 -6.201 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.083 -6.917 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.933 -6.322 -5.329 1.00 0.00 H new ATOM 908 N LEU A 42 0.415 -1.130 -4.241 1.00 0.00 N ATOM 909 CA LEU A 42 -0.474 -0.072 -3.830 1.00 0.00 C ATOM 910 C LEU A 42 -0.130 0.321 -2.441 1.00 0.00 C ATOM 911 O LEU A 42 -0.385 -0.401 -1.473 1.00 0.00 O ATOM 912 CB LEU A 42 -1.942 -0.469 -3.953 1.00 0.00 C ATOM 913 CG LEU A 42 -2.456 -0.656 -5.372 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.689 -1.549 -5.371 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.823 0.689 -6.016 1.00 0.00 C ATOM 0 H LEU A 42 0.096 -2.069 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.341 0.780 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.095 -1.399 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.548 0.293 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.657 -1.119 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.048 -1.675 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.433 -2.523 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.471 -1.089 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.187 0.520 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.602 1.174 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.941 1.329 -6.049 1.00 0.00 H new ATOM 927 N ILE A 43 0.486 1.420 -2.354 1.00 0.00 N ATOM 928 CA ILE A 43 0.958 1.928 -1.111 1.00 0.00 C ATOM 929 C ILE A 43 -0.014 2.972 -0.628 1.00 0.00 C ATOM 930 O ILE A 43 -0.105 4.074 -1.173 1.00 0.00 O ATOM 931 CB ILE A 43 2.339 2.565 -1.271 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.290 1.641 -2.040 1.00 0.00 C ATOM 933 CG2 ILE A 43 2.928 2.963 0.075 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.649 0.347 -1.356 1.00 0.00 C ATOM 0 H ILE A 43 0.690 2.019 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 43 1.038 1.109 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 43 2.214 3.476 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.837 1.406 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.210 2.188 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.910 3.412 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.270 3.683 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.027 2.079 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.325 -0.225 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.138 0.561 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.744 -0.233 -1.176 1.00 0.00 H new ATOM 946 N ILE A 44 -0.755 2.605 0.338 1.00 0.00 N ATOM 947 CA ILE A 44 -1.735 3.476 0.923 1.00 0.00 C ATOM 948 C ILE A 44 -1.153 4.134 2.163 1.00 0.00 C ATOM 949 O ILE A 44 -0.893 3.480 3.193 1.00 0.00 O ATOM 950 CB ILE A 44 -3.120 2.757 1.231 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.949 2.497 -0.057 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.966 3.558 2.221 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.350 1.531 -1.057 1.00 0.00 C ATOM 0 H ILE A 44 -0.711 1.680 0.765 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.974 4.242 0.186 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.863 1.796 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.929 2.121 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.111 3.451 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.904 3.034 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.422 3.669 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.177 4.543 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.019 1.431 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.384 1.908 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.215 0.557 -0.586 1.00 0.00 H new ATOM 965 N GLU A 45 -0.890 5.396 2.044 1.00 0.00 N ATOM 966 CA GLU A 45 -0.357 6.158 3.125 1.00 0.00 C ATOM 967 C GLU A 45 -1.366 7.239 3.524 1.00 0.00 C ATOM 968 O GLU A 45 -1.698 8.120 2.723 1.00 0.00 O ATOM 969 CB GLU A 45 0.977 6.792 2.723 1.00 0.00 C ATOM 970 CG GLU A 45 1.597 7.678 3.793 1.00 0.00 C ATOM 971 CD GLU A 45 2.923 8.253 3.376 1.00 0.00 C ATOM 972 OE1 GLU A 45 2.968 9.021 2.393 1.00 0.00 O ATOM 973 OE2 GLU A 45 3.951 7.943 4.020 1.00 0.00 O ATOM 0 H GLU A 45 -1.040 5.930 1.188 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.177 5.502 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.681 5.999 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.827 7.384 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.911 8.492 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.728 7.099 4.707 1.00 0.00 H new ATOM 980 N PRO A 46 -1.908 7.138 4.730 1.00 0.00 N ATOM 981 CA PRO A 46 -2.807 8.101 5.269 1.00 0.00 C ATOM 982 C PRO A 46 -2.136 9.418 5.396 1.00 0.00 C ATOM 983 O PRO A 46 -0.920 9.501 5.684 1.00 0.00 O ATOM 984 CB PRO A 46 -3.164 7.581 6.646 1.00 0.00 C ATOM 985 CG PRO A 46 -2.178 6.577 6.929 1.00 0.00 C ATOM 986 CD PRO A 46 -1.703 6.054 5.615 1.00 0.00 C ATOM 0 HA PRO A 46 -3.682 8.237 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.140 8.379 7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.170 7.162 6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.350 6.999 7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.605 5.776 7.532 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.653 5.763 5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.266 5.173 5.307 1.00 0.00 H new ATOM 994 N VAL A 47 -2.870 10.423 5.207 1.00 0.00 N ATOM 995 CA VAL A 47 -2.302 11.730 5.278 1.00 0.00 C ATOM 996 C VAL A 47 -2.432 12.191 6.683 1.00 0.00 C ATOM 997 O VAL A 47 -3.540 12.493 7.156 1.00 0.00 O ATOM 998 CB VAL A 47 -2.921 12.759 4.332 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.085 13.991 4.351 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.009 12.234 2.931 1.00 0.00 C ATOM 0 H VAL A 47 -3.868 10.389 5.000 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.264 11.651 4.954 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.934 12.978 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.516 14.734 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.052 14.393 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.074 13.750 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.454 12.992 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.010 11.991 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.628 11.337 2.917 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.671 9.809 -5.599 1.00 0.00 N ATOM 1352 CA ILE B 2 -4.093 9.984 -5.671 1.00 0.00 C ATOM 1353 C ILE B 2 -4.617 10.314 -4.287 1.00 0.00 C ATOM 1354 O ILE B 2 -4.401 9.547 -3.343 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.773 8.690 -6.174 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -4.068 8.188 -7.448 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -6.259 8.939 -6.436 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.583 6.869 -7.971 1.00 0.00 C ATOM 0 HA ILE B 2 -4.317 10.793 -6.366 1.00 0.00 H new ATOM 0 HB ILE B 2 -4.689 7.921 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.177 8.941 -8.229 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -3.002 8.092 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.725 8.019 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.743 9.259 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.370 9.716 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -4.030 6.593 -8.869 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.449 6.099 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.642 6.961 -8.211 1.00 0.00 H new ATOM 1370 N HIS B 3 -5.265 11.444 -4.156 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.834 11.840 -2.891 1.00 0.00 C ATOM 1372 C HIS B 3 -7.280 11.433 -2.791 1.00 0.00 C ATOM 1373 O HIS B 3 -8.176 12.084 -3.334 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.655 13.335 -2.583 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.283 13.698 -2.091 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -4.032 14.247 -0.843 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -3.072 13.584 -2.697 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.716 14.437 -0.734 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -2.081 14.053 -1.834 1.00 0.00 N ATOM 0 H HIS B 3 -5.413 12.110 -4.914 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.271 11.304 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.870 13.909 -3.484 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.389 13.631 -1.833 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -4.731 14.467 -0.133 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -2.903 13.192 -3.689 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -2.230 14.850 0.137 1.00 0.00 H new ATOM 1387 N SER B 4 -7.482 10.335 -2.158 1.00 0.00 N ATOM 1388 CA SER B 4 -8.784 9.818 -1.882 1.00 0.00 C ATOM 1389 C SER B 4 -9.003 9.889 -0.391 1.00 0.00 C ATOM 1390 O SER B 4 -8.285 10.601 0.290 1.00 0.00 O ATOM 1391 CB SER B 4 -8.872 8.385 -2.370 1.00 0.00 C ATOM 1392 OG SER B 4 -8.788 8.320 -3.786 1.00 0.00 O ATOM 0 H SER B 4 -6.726 9.749 -1.804 1.00 0.00 H new ATOM 0 HA SER B 4 -9.551 10.398 -2.394 1.00 0.00 H new ATOM 0 HB2 SER B 4 -8.068 7.797 -1.928 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.811 7.942 -2.038 1.00 0.00 H new ATOM 0 HG SER B 4 -8.846 7.385 -4.075 1.00 0.00 H new ATOM 1398 N SER B 5 -9.954 9.170 0.116 1.00 0.00 N ATOM 1399 CA SER B 5 -10.234 9.181 1.512 1.00 0.00 C ATOM 1400 C SER B 5 -10.873 7.871 1.922 1.00 0.00 C ATOM 1401 O SER B 5 -11.429 7.149 1.076 1.00 0.00 O ATOM 1402 CB SER B 5 -11.118 10.390 1.857 1.00 0.00 C ATOM 1403 OG SER B 5 -12.202 10.497 0.951 1.00 0.00 O ATOM 0 H SER B 5 -10.559 8.557 -0.431 1.00 0.00 H new ATOM 0 HA SER B 5 -9.306 9.281 2.075 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.497 10.290 2.874 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.522 11.302 1.827 1.00 0.00 H new ATOM 0 HG SER B 5 -12.599 11.390 1.020 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.735 7.537 3.177 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.326 6.338 3.732 1.00 0.00 C ATOM 1411 C VAL B 6 -12.751 6.634 4.062 1.00 0.00 C ATOM 1412 O VAL B 6 -13.022 7.519 4.849 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.604 5.920 5.022 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.175 4.628 5.580 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.145 5.777 4.753 1.00 0.00 C ATOM 0 H VAL B 6 -10.207 8.090 3.852 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.244 5.529 3.006 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.757 6.696 5.773 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.643 4.359 6.493 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.233 4.765 5.804 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.059 3.832 4.845 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.634 5.480 5.669 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -8.989 5.017 3.988 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.744 6.729 4.406 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.652 5.945 3.474 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.027 6.208 3.726 1.00 0.00 C ATOM 1427 C LYS B 7 -15.642 5.021 4.442 1.00 0.00 C ATOM 1428 O LYS B 7 -15.004 3.983 4.578 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.731 6.494 2.431 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.222 7.695 1.663 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.536 9.006 2.355 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.204 10.167 1.432 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.587 11.473 1.983 1.00 0.00 N ATOM 0 H LYS B 7 -13.469 5.191 2.812 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.131 7.084 4.366 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.650 5.615 1.792 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.791 6.640 2.639 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.144 7.607 1.532 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.665 7.699 0.667 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.590 9.039 2.631 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.962 9.087 3.278 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.133 10.166 1.228 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.710 10.020 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.274 12.227 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.621 11.515 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.138 11.603 2.912 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.843 5.166 4.912 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.481 4.101 5.642 1.00 0.00 C ATOM 1449 C ARG B 8 -18.502 3.365 4.776 1.00 0.00 C ATOM 1450 O ARG B 8 -19.487 3.955 4.307 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.107 4.635 6.930 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.815 3.585 7.758 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.230 4.133 9.107 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.072 4.313 10.001 1.00 0.00 N ATOM 1455 CZ ARG B 8 -17.972 5.211 10.995 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.927 6.107 11.191 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -16.906 5.194 11.797 1.00 0.00 N ATOM 0 H ARG B 8 -17.406 6.010 4.806 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.719 3.372 5.919 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.327 5.094 7.537 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.818 5.421 6.676 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.695 3.229 7.222 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -18.158 2.727 7.899 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -19.737 5.088 8.972 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.946 3.455 9.571 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.272 3.698 9.851 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.747 6.119 10.585 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.843 6.785 11.948 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.171 4.501 11.654 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -16.826 5.874 12.553 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.240 2.100 4.549 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.103 1.202 3.792 1.00 0.00 C ATOM 1473 C TRP B 9 -19.757 0.273 4.801 1.00 0.00 C ATOM 1474 O TRP B 9 -19.117 -0.659 5.305 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.233 0.409 2.782 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.944 -0.538 1.842 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.275 -0.598 1.576 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.338 -1.559 1.009 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.520 -1.545 0.639 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.385 -2.161 0.298 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.026 -2.030 0.784 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.194 -3.181 -0.593 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.848 -3.052 -0.109 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -17.939 -3.616 -0.782 1.00 0.00 C ATOM 0 H TRP B 9 -17.395 1.645 4.894 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.867 1.738 3.229 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.678 1.128 2.179 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.500 -0.166 3.348 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.028 0.019 2.043 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.439 -1.757 0.250 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.185 -1.595 1.303 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.024 -3.621 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.853 -3.428 -0.297 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.765 -4.426 -1.475 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.988 0.591 5.177 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.660 -0.165 6.185 1.00 0.00 C ATOM 1497 C GLY B 10 -21.053 0.194 7.503 1.00 0.00 C ATOM 1498 O GLY B 10 -21.033 1.369 7.873 1.00 0.00 O ATOM 0 H GLY B 10 -21.527 1.367 4.792 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.727 0.057 6.182 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.557 -1.233 5.995 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.543 -0.761 8.197 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.791 -0.474 9.407 1.00 0.00 C ATOM 1504 C ASN B 11 -18.313 -0.788 9.230 1.00 0.00 C ATOM 1505 O ASN B 11 -17.618 -1.108 10.194 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.354 -1.206 10.633 1.00 0.00 C ATOM 1507 CG ASN B 11 -21.648 -0.606 11.136 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -22.743 -1.015 10.742 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -21.538 0.372 11.998 1.00 0.00 N ATOM 0 H ASN B 11 -20.622 -1.751 7.964 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.897 0.595 9.589 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.520 -2.253 10.380 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.615 -1.185 11.434 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -22.375 0.823 12.367 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -20.615 0.683 12.301 1.00 0.00 H new ATOM 1516 N SER B 12 -17.804 -0.651 8.018 1.00 0.00 N ATOM 1517 CA SER B 12 -16.449 -0.950 7.759 1.00 0.00 C ATOM 1518 C SER B 12 -15.823 0.162 6.930 1.00 0.00 C ATOM 1519 O SER B 12 -16.433 0.654 5.980 1.00 0.00 O ATOM 1520 CB SER B 12 -16.354 -2.267 7.011 1.00 0.00 C ATOM 1521 OG SER B 12 -16.952 -3.331 7.746 1.00 0.00 O ATOM 0 H SER B 12 -18.332 -0.330 7.206 1.00 0.00 H new ATOM 0 HA SER B 12 -15.912 -1.033 8.704 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.845 -2.172 6.042 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.307 -2.501 6.817 1.00 0.00 H new ATOM 0 HG SER B 12 -16.404 -4.139 7.657 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.656 0.621 7.325 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.896 1.585 6.551 1.00 0.00 C ATOM 1529 C PRO B 13 -13.415 0.970 5.235 1.00 0.00 C ATOM 1530 O PRO B 13 -12.840 -0.134 5.214 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.706 1.937 7.443 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.658 0.899 8.508 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.005 0.259 8.579 1.00 0.00 C ATOM 0 HA PRO B 13 -14.491 2.458 6.283 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.780 1.947 6.869 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.825 2.931 7.874 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.893 0.156 8.284 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.396 1.347 9.467 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.924 -0.823 8.685 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.571 0.622 9.437 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.671 1.654 4.159 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.305 1.189 2.860 1.00 0.00 C ATOM 1543 C ALA B 14 -12.726 2.321 2.037 1.00 0.00 C ATOM 1544 O ALA B 14 -13.181 3.470 2.119 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.510 0.578 2.161 1.00 0.00 C ATOM 0 H ALA B 14 -14.144 2.558 4.162 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.541 0.419 2.967 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.217 0.227 1.171 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.884 -0.261 2.747 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.293 1.330 2.063 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.706 2.013 1.291 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.078 2.974 0.414 1.00 0.00 C ATOM 1553 C VAL B 15 -11.457 2.640 -1.014 1.00 0.00 C ATOM 1554 O VAL B 15 -11.498 1.464 -1.385 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.518 2.968 0.563 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.854 3.946 -0.408 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.122 3.319 1.981 1.00 0.00 C ATOM 0 H VAL B 15 -11.280 1.086 1.269 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.426 3.971 0.684 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.173 1.962 0.325 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.773 3.913 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.102 3.667 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.214 4.956 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.036 3.311 2.068 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.498 4.312 2.229 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.547 2.588 2.669 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.785 3.656 -1.783 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.111 3.496 -3.180 1.00 0.00 C ATOM 1569 C ARG B 16 -10.844 3.395 -4.012 1.00 0.00 C ATOM 1570 O ARG B 16 -10.012 4.312 -4.003 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.931 4.681 -3.665 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.291 4.797 -3.045 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.046 5.946 -3.650 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.379 6.114 -3.060 1.00 0.00 N ATOM 1575 CZ ARG B 16 -17.536 6.056 -3.737 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -17.550 5.765 -5.043 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.677 6.283 -3.107 1.00 0.00 N ATOM 0 H ARG B 16 -11.833 4.620 -1.453 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.690 2.580 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.375 5.597 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.045 4.609 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.846 3.871 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.196 4.942 -1.969 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.474 6.864 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -15.145 5.787 -4.724 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.430 6.289 -2.056 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -16.675 5.584 -5.535 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -18.436 5.724 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.675 6.501 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -19.559 6.240 -3.618 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.695 2.305 -4.711 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.559 2.106 -5.583 1.00 0.00 C ATOM 1593 C ILE B 17 -9.984 2.436 -7.012 1.00 0.00 C ATOM 1594 O ILE B 17 -11.022 1.970 -7.467 1.00 0.00 O ATOM 1595 CB ILE B 17 -8.954 0.638 -5.499 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.180 0.387 -4.203 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.061 0.304 -6.659 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.021 0.225 -2.995 1.00 0.00 C ATOM 0 H ILE B 17 -11.354 1.527 -4.696 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.760 2.772 -5.256 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.828 -0.013 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.573 -0.509 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.493 1.218 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.679 -0.710 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.628 0.375 -7.587 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.226 1.004 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.383 0.052 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.609 1.129 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.690 -0.625 -3.129 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.227 3.284 -7.713 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.545 3.647 -9.085 1.00 0.00 C ATOM 1612 C PRO B 18 -9.420 2.446 -10.032 1.00 0.00 C ATOM 1613 O PRO B 18 -8.436 1.678 -9.968 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.513 4.724 -9.440 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.419 4.576 -8.439 1.00 0.00 C ATOM 1616 CD PRO B 18 -8.021 3.962 -7.215 1.00 0.00 C ATOM 0 HA PRO B 18 -10.573 3.995 -9.185 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -8.137 4.588 -10.454 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.954 5.720 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.620 3.947 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.977 5.545 -8.206 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.335 3.259 -6.742 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.267 4.718 -6.469 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.387 2.314 -10.932 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.450 1.209 -11.895 1.00 0.00 C ATOM 1626 C ALA B 19 -9.216 1.191 -12.781 1.00 0.00 C ATOM 1627 O ALA B 19 -8.759 0.139 -13.212 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.713 1.308 -12.738 1.00 0.00 C ATOM 0 H ALA B 19 -11.159 2.975 -11.019 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.479 0.273 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.743 0.480 -13.447 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.588 1.262 -12.089 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.714 2.252 -13.283 1.00 0.00 H new ATOM 1634 N THR B 20 -8.666 2.358 -12.998 1.00 0.00 N ATOM 1635 CA THR B 20 -7.469 2.554 -13.767 1.00 0.00 C ATOM 1636 C THR B 20 -6.280 1.754 -13.158 1.00 0.00 C ATOM 1637 O THR B 20 -5.421 1.237 -13.870 1.00 0.00 O ATOM 1638 CB THR B 20 -7.149 4.039 -13.717 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.397 4.767 -13.792 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.275 4.425 -14.882 1.00 0.00 C ATOM 0 H THR B 20 -9.055 3.227 -12.630 1.00 0.00 H new ATOM 0 HA THR B 20 -7.619 2.206 -14.789 1.00 0.00 H new ATOM 0 HB THR B 20 -6.619 4.273 -12.794 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.217 5.730 -13.760 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.054 5.491 -14.833 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.344 3.859 -14.842 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.794 4.204 -15.815 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.266 1.643 -11.842 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.210 0.933 -11.127 1.00 0.00 C ATOM 1650 C LEU B 21 -5.528 -0.510 -11.037 1.00 0.00 C ATOM 1651 O LEU B 21 -4.639 -1.357 -11.026 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.010 1.520 -9.751 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.086 2.722 -9.658 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.645 2.281 -9.837 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.423 3.781 -10.695 1.00 0.00 C ATOM 0 H LEU B 21 -6.983 2.040 -11.235 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.280 1.048 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.985 1.807 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.620 0.738 -9.099 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.223 3.163 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.988 3.148 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.384 1.566 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.527 1.812 -10.814 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.737 4.622 -10.592 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.328 3.355 -11.694 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.446 4.126 -10.544 1.00 0.00 H new ATOM 1667 N MET B 22 -6.797 -0.777 -10.964 1.00 0.00 N ATOM 1668 CA MET B 22 -7.324 -2.143 -11.011 1.00 0.00 C ATOM 1669 C MET B 22 -6.806 -2.834 -12.247 1.00 0.00 C ATOM 1670 O MET B 22 -6.242 -3.928 -12.183 1.00 0.00 O ATOM 1671 CB MET B 22 -8.850 -2.136 -11.048 1.00 0.00 C ATOM 1672 CG MET B 22 -9.526 -1.583 -9.812 1.00 0.00 C ATOM 1673 SD MET B 22 -9.389 -2.665 -8.393 1.00 0.00 S ATOM 1674 CE MET B 22 -10.277 -4.091 -9.008 1.00 0.00 C ATOM 0 H MET B 22 -7.516 -0.060 -10.869 1.00 0.00 H new ATOM 0 HA MET B 22 -6.997 -2.671 -10.115 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.173 -1.553 -11.910 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.198 -3.157 -11.206 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.087 -0.616 -9.567 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.580 -1.409 -10.029 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.919 -4.487 -8.221 1.00 0.00 H new ATOM 0 HE2 MET B 22 -10.888 -3.799 -9.862 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.566 -4.857 -9.317 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.978 -2.168 -13.355 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.498 -2.645 -14.630 1.00 0.00 C ATOM 1686 C GLN B 23 -4.977 -2.645 -14.676 1.00 0.00 C ATOM 1687 O GLN B 23 -4.374 -3.524 -15.286 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.016 -1.772 -15.754 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.519 -1.657 -15.787 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.025 -0.891 -16.990 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.343 -0.017 -17.528 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.229 -1.185 -17.409 1.00 0.00 N ATOM 0 H GLN B 23 -7.459 -1.270 -13.403 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.863 -3.664 -14.755 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.586 -0.775 -15.656 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.670 -2.176 -16.705 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.955 -2.656 -15.789 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.861 -1.162 -14.878 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.768 -1.914 -16.942 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.629 -0.685 -18.203 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.365 -1.687 -13.987 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.900 -1.515 -14.042 1.00 0.00 C ATOM 1703 C ALA B 24 -2.167 -2.696 -13.436 1.00 0.00 C ATOM 1704 O ALA B 24 -1.104 -3.096 -13.900 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.475 -0.240 -13.339 1.00 0.00 C ATOM 0 H ALA B 24 -4.847 -1.018 -13.386 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.632 -1.451 -15.097 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.391 -0.138 -13.394 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.945 0.616 -13.823 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.783 -0.281 -12.294 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.747 -3.250 -12.414 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.147 -4.342 -11.679 1.00 0.00 C ATOM 1713 C LEU B 25 -2.879 -5.645 -11.936 1.00 0.00 C ATOM 1714 O LEU B 25 -2.567 -6.684 -11.352 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.143 -3.963 -10.219 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.201 -2.805 -9.906 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -1.635 -2.093 -8.676 1.00 0.00 C ATOM 1718 CD2 LEU B 25 0.195 -3.338 -9.697 1.00 0.00 C ATOM 0 H LEU B 25 -3.658 -2.960 -12.057 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.123 -4.510 -12.011 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.155 -3.693 -9.917 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.854 -4.830 -9.625 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.218 -2.108 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.950 -1.271 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.641 -1.699 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.633 -2.786 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.870 -2.512 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.195 -4.042 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.530 -3.845 -10.602 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.839 -5.556 -12.840 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.694 -6.651 -13.282 1.00 0.00 C ATOM 1732 C ASN B 26 -5.334 -7.413 -12.126 1.00 0.00 C ATOM 1733 O ASN B 26 -5.060 -8.606 -11.884 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.999 -7.585 -14.298 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.932 -8.653 -14.876 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -6.153 -8.457 -14.984 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -4.369 -9.772 -15.267 1.00 0.00 N ATOM 0 H ASN B 26 -4.056 -4.677 -13.310 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.517 -6.180 -13.820 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.594 -6.986 -15.114 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -3.155 -8.074 -13.813 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -4.938 -10.514 -15.674 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -3.362 -9.900 -15.163 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.107 -6.703 -11.364 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.888 -7.277 -10.359 1.00 0.00 C ATOM 1746 C LEU B 27 -8.324 -6.982 -10.674 1.00 0.00 C ATOM 1747 O LEU B 27 -8.625 -6.006 -11.375 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.538 -6.765 -8.980 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.708 -5.285 -8.719 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.214 -5.103 -7.319 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.389 -4.571 -8.876 1.00 0.00 C ATOM 0 H LEU B 27 -6.201 -5.690 -11.440 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.699 -8.350 -10.339 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.147 -7.306 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.499 -7.024 -8.779 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.416 -4.867 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.342 -4.040 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.172 -5.612 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.496 -5.524 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.526 -3.507 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.669 -4.977 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.017 -4.713 -9.891 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.194 -7.802 -10.200 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.605 -7.651 -10.464 1.00 0.00 C ATOM 1765 C ASN B 28 -11.358 -7.705 -9.156 1.00 0.00 C ATOM 1766 O ASN B 28 -10.742 -7.759 -8.086 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.115 -8.754 -11.419 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.408 -8.766 -12.773 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.789 -8.052 -13.701 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -9.402 -9.589 -12.909 1.00 0.00 N ATOM 0 H ASN B 28 -8.959 -8.604 -9.615 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.773 -6.690 -10.949 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -10.984 -9.725 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.185 -8.619 -11.578 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -8.911 -9.651 -13.801 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -9.108 -10.169 -12.123 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.668 -7.672 -9.221 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.483 -7.750 -8.025 1.00 0.00 C ATOM 1779 C ILE B 29 -13.456 -9.177 -7.471 1.00 0.00 C ATOM 1780 O ILE B 29 -13.470 -10.151 -8.242 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.961 -7.272 -8.281 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.004 -5.782 -8.678 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.873 -7.524 -7.073 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.419 -4.834 -7.651 1.00 0.00 C ATOM 0 H ILE B 29 -13.196 -7.592 -10.090 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.059 -7.071 -7.285 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.340 -7.869 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.466 -5.655 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.040 -5.500 -8.864 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.881 -7.177 -7.300 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.898 -8.591 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.489 -6.983 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.493 -3.810 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.971 -4.926 -6.715 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.372 -5.083 -7.481 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.358 -9.264 -6.143 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.328 -10.504 -5.361 1.00 0.00 C ATOM 1798 C ASP B 30 -11.951 -11.161 -5.436 1.00 0.00 C ATOM 1799 O ASP B 30 -11.762 -12.327 -5.104 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.485 -11.460 -5.744 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.581 -12.699 -4.876 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -14.690 -12.574 -3.639 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.546 -13.823 -5.419 1.00 0.00 O ATOM 0 H ASP B 30 -13.294 -8.433 -5.555 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.497 -10.250 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.427 -10.915 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.359 -11.766 -6.782 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.965 -10.375 -5.810 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.612 -10.862 -5.864 1.00 0.00 C ATOM 1810 C ASP B 31 -9.022 -10.596 -4.505 1.00 0.00 C ATOM 1811 O ASP B 31 -9.166 -9.476 -3.969 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.816 -10.129 -6.943 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.640 -10.930 -7.490 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -6.875 -11.520 -6.720 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.498 -11.010 -8.743 1.00 0.00 O ATOM 0 H ASP B 31 -11.079 -9.398 -6.080 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.583 -11.923 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.485 -9.875 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.445 -9.190 -6.533 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.450 -11.608 -3.918 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.910 -11.506 -2.579 1.00 0.00 C ATOM 1822 C GLU B 32 -6.635 -10.691 -2.575 1.00 0.00 C ATOM 1823 O GLU B 32 -5.865 -10.696 -3.555 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.681 -12.884 -1.929 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.512 -13.689 -2.471 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.409 -15.050 -1.850 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -6.060 -15.154 -0.652 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -6.698 -16.057 -2.547 1.00 0.00 O ATOM 0 H GLU B 32 -8.342 -12.527 -4.347 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.657 -10.991 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -7.532 -12.739 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -8.589 -13.475 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.618 -13.794 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -5.586 -13.142 -2.293 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.412 -9.971 -1.507 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.238 -9.151 -1.422 1.00 0.00 C ATOM 1837 C VAL B 33 -4.586 -9.271 -0.067 1.00 0.00 C ATOM 1838 O VAL B 33 -5.247 -9.557 0.943 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.465 -7.626 -1.802 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.326 -7.464 -3.031 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.066 -6.831 -0.675 1.00 0.00 C ATOM 0 H VAL B 33 -7.024 -9.937 -0.691 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.565 -9.544 -2.184 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.469 -7.235 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.452 -6.404 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.847 -7.955 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.302 -7.916 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.199 -5.796 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.033 -7.256 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.402 -6.865 0.189 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.296 -9.096 -0.077 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.481 -9.089 1.095 1.00 0.00 C ATOM 1853 C LYS B 34 -2.325 -7.683 1.608 1.00 0.00 C ATOM 1854 O LYS B 34 -1.762 -6.820 0.919 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.103 -9.646 0.759 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.042 -11.152 0.635 1.00 0.00 C ATOM 1857 CD LYS B 34 0.253 -11.634 -0.030 1.00 0.00 C ATOM 1858 CE LYS B 34 1.537 -11.009 0.554 1.00 0.00 C ATOM 1859 NZ LYS B 34 1.653 -11.126 2.030 1.00 0.00 N ATOM 0 H LYS B 34 -2.767 -8.949 -0.936 1.00 0.00 H new ATOM 0 HA LYS B 34 -2.957 -9.704 1.859 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.767 -9.204 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.401 -9.330 1.530 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.126 -11.599 1.626 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.896 -11.501 0.055 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.315 -12.718 0.065 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.206 -11.410 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS B 34 2.402 -11.486 0.094 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.572 -9.954 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.637 -11.344 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.372 -10.228 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.031 -11.888 2.368 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.873 -7.425 2.756 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.617 -6.179 3.411 1.00 0.00 C ATOM 1875 C ILE B 35 -1.459 -6.418 4.355 1.00 0.00 C ATOM 1876 O ILE B 35 -1.616 -7.073 5.404 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.837 -5.572 4.211 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.052 -5.252 3.312 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.419 -4.313 4.970 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.861 -6.446 2.870 1.00 0.00 C ATOM 0 H ILE B 35 -3.497 -8.057 3.257 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.404 -5.439 2.639 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.146 -6.343 4.916 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.709 -4.567 3.848 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.698 -4.726 2.426 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.276 -3.914 5.513 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.626 -4.560 5.676 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.057 -3.566 4.264 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.689 -6.113 2.244 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.226 -7.125 2.301 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.253 -6.964 3.745 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.311 -5.986 3.942 1.00 0.00 N ATOM 1893 CA ASP B 36 0.895 -6.098 4.722 1.00 0.00 C ATOM 1894 C ASP B 36 1.259 -4.735 5.234 1.00 0.00 C ATOM 1895 O ASP B 36 1.112 -3.743 4.523 1.00 0.00 O ATOM 1896 CB ASP B 36 2.068 -6.670 3.886 1.00 0.00 C ATOM 1897 CG ASP B 36 2.051 -8.173 3.693 1.00 0.00 C ATOM 1898 OD1 ASP B 36 1.228 -8.692 2.913 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.930 -8.865 4.261 1.00 0.00 O ATOM 0 H ASP B 36 -0.175 -5.536 3.037 1.00 0.00 H new ATOM 0 HA ASP B 36 0.714 -6.786 5.547 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.060 -6.194 2.906 1.00 0.00 H new ATOM 0 HB3 ASP B 36 3.006 -6.392 4.368 1.00 0.00 H new ATOM 1904 N LEU B 37 1.670 -4.646 6.457 1.00 0.00 N ATOM 1905 CA LEU B 37 2.081 -3.436 6.977 1.00 0.00 C ATOM 1906 C LEU B 37 3.590 -3.398 6.892 1.00 0.00 C ATOM 1907 O LEU B 37 4.261 -4.402 7.130 1.00 0.00 O ATOM 1908 CB LEU B 37 1.665 -3.367 8.395 1.00 0.00 C ATOM 1909 CG LEU B 37 1.663 -2.011 8.994 1.00 0.00 C ATOM 1910 CD1 LEU B 37 0.410 -1.271 8.632 1.00 0.00 C ATOM 1911 CD2 LEU B 37 1.862 -2.133 10.431 1.00 0.00 C ATOM 0 H LEU B 37 1.721 -5.431 7.107 1.00 0.00 H new ATOM 0 HA LEU B 37 1.646 -2.599 6.431 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.662 -3.785 8.482 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.328 -4.003 8.981 1.00 0.00 H new ATOM 0 HG LEU B 37 2.484 -1.417 8.592 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.430 -0.279 9.082 1.00 0.00 H new ATOM 0 HD12 LEU B 37 0.344 -1.176 7.548 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.456 -1.820 9.002 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.863 -1.141 10.884 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.056 -2.728 10.861 1.00 0.00 H new ATOM 0 HD23 LEU B 37 2.817 -2.621 10.626 1.00 0.00 H new ATOM 1923 N VAL B 38 4.105 -2.287 6.546 1.00 0.00 N ATOM 1924 CA VAL B 38 5.559 -2.103 6.376 1.00 0.00 C ATOM 1925 C VAL B 38 5.934 -0.692 6.785 1.00 0.00 C ATOM 1926 O VAL B 38 5.503 0.253 6.145 1.00 0.00 O ATOM 1927 CB VAL B 38 6.039 -2.333 4.885 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.532 -2.096 4.747 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.712 -3.733 4.382 1.00 0.00 C ATOM 0 H VAL B 38 3.557 -1.447 6.361 1.00 0.00 H new ATOM 0 HA VAL B 38 6.049 -2.847 7.003 1.00 0.00 H new ATOM 0 HB VAL B 38 5.495 -1.611 4.276 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.833 -2.261 3.712 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.766 -1.071 5.033 1.00 0.00 H new ATOM 0 HG13 VAL B 38 8.071 -2.786 5.396 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.061 -3.841 3.355 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.207 -4.471 5.013 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.634 -3.890 4.417 1.00 0.00 H new ATOM 1939 N ASP B 39 6.682 -0.563 7.888 1.00 0.00 N ATOM 1940 CA ASP B 39 7.177 0.737 8.410 1.00 0.00 C ATOM 1941 C ASP B 39 6.030 1.718 8.600 1.00 0.00 C ATOM 1942 O ASP B 39 6.145 2.915 8.308 1.00 0.00 O ATOM 1943 CB ASP B 39 8.276 1.344 7.509 1.00 0.00 C ATOM 1944 CG ASP B 39 9.551 0.524 7.460 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.658 -0.379 6.604 1.00 0.00 O ATOM 1946 OD2 ASP B 39 10.490 0.778 8.257 1.00 0.00 O ATOM 0 H ASP B 39 6.969 -1.360 8.456 1.00 0.00 H new ATOM 0 HA ASP B 39 7.629 0.542 9.383 1.00 0.00 H new ATOM 0 HB2 ASP B 39 7.885 1.451 6.497 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.513 2.346 7.867 1.00 0.00 H new ATOM 1951 N GLY B 40 4.929 1.200 9.106 1.00 0.00 N ATOM 1952 CA GLY B 40 3.752 2.003 9.340 1.00 0.00 C ATOM 1953 C GLY B 40 3.082 2.475 8.061 1.00 0.00 C ATOM 1954 O GLY B 40 2.613 3.609 7.983 1.00 0.00 O ATOM 0 H GLY B 40 4.828 0.218 9.364 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.037 1.425 9.925 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.026 2.871 9.940 1.00 0.00 H new ATOM 1958 N LYS B 41 3.078 1.643 7.052 1.00 0.00 N ATOM 1959 CA LYS B 41 2.424 1.964 5.813 1.00 0.00 C ATOM 1960 C LYS B 41 1.507 0.817 5.459 1.00 0.00 C ATOM 1961 O LYS B 41 1.815 -0.342 5.790 1.00 0.00 O ATOM 1962 CB LYS B 41 3.453 2.092 4.707 1.00 0.00 C ATOM 1963 CG LYS B 41 3.188 3.225 3.748 1.00 0.00 C ATOM 1964 CD LYS B 41 3.533 4.576 4.364 1.00 0.00 C ATOM 1965 CE LYS B 41 5.039 4.734 4.556 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.403 6.039 5.138 1.00 0.00 N ATOM 0 H LYS B 41 3.527 0.727 7.067 1.00 0.00 H new ATOM 0 HA LYS B 41 1.875 2.900 5.919 1.00 0.00 H new ATOM 0 HB2 LYS B 41 4.437 2.232 5.155 1.00 0.00 H new ATOM 0 HB3 LYS B 41 3.488 1.157 4.148 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.774 3.078 2.840 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.138 3.216 3.455 1.00 0.00 H new ATOM 0 HD2 LYS B 41 3.161 5.375 3.723 1.00 0.00 H new ATOM 0 HD3 LYS B 41 3.030 4.678 5.325 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.404 3.937 5.204 1.00 0.00 H new ATOM 0 HE3 LYS B 41 5.538 4.617 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.438 6.108 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.050 6.802 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 4.978 6.128 6.083 1.00 0.00 H new ATOM 1980 N LEU B 42 0.413 1.113 4.799 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.496 0.091 4.357 1.00 0.00 C ATOM 1982 C LEU B 42 -0.125 -0.333 2.980 1.00 0.00 C ATOM 1983 O LEU B 42 -0.344 0.380 1.996 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.938 0.557 4.427 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.493 0.673 5.825 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.762 1.511 5.834 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.787 -0.709 6.400 1.00 0.00 C ATOM 0 H LEU B 42 0.132 2.063 4.556 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.416 -0.766 5.026 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.017 1.528 3.937 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.558 -0.137 3.860 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.743 1.165 6.444 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.145 1.581 6.852 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.541 2.511 5.460 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.512 1.043 5.196 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.187 -0.606 7.409 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.518 -1.217 5.771 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.867 -1.293 6.432 1.00 0.00 H new ATOM 1999 N ILE B 43 0.473 -1.453 2.920 1.00 0.00 N ATOM 2000 CA ILE B 43 0.959 -1.989 1.686 1.00 0.00 C ATOM 2001 C ILE B 43 -0.029 -3.014 1.189 1.00 0.00 C ATOM 2002 O ILE B 43 -0.149 -4.116 1.729 1.00 0.00 O ATOM 2003 CB ILE B 43 2.324 -2.659 1.875 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.274 -1.757 2.668 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.938 -3.071 0.538 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.674 -0.464 2.000 1.00 0.00 C ATOM 0 H ILE B 43 0.649 -2.045 3.732 1.00 0.00 H new ATOM 0 HA ILE B 43 1.073 -1.177 0.968 1.00 0.00 H new ATOM 0 HB ILE B 43 2.166 -3.569 2.453 1.00 0.00 H new ATOM 0 HG12 ILE B 43 2.804 -1.519 3.622 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.179 -2.323 2.890 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.905 -3.543 0.712 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.276 -3.776 0.035 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.072 -2.189 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.347 0.091 2.654 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.180 -0.682 1.059 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.784 0.134 1.803 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.760 -2.620 0.223 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.756 -3.462 -0.380 1.00 0.00 C ATOM 2020 C ILE B 44 -1.169 -4.132 -1.613 1.00 0.00 C ATOM 2021 O ILE B 44 -0.888 -3.483 -2.642 1.00 0.00 O ATOM 2022 CB ILE B 44 -3.114 -2.704 -0.713 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.953 -2.403 0.562 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.975 -3.491 -1.700 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.338 -1.446 1.561 1.00 0.00 C ATOM 0 H ILE B 44 -0.695 -1.690 -0.191 1.00 0.00 H new ATOM 0 HA ILE B 44 -2.031 -4.221 0.352 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.819 -1.758 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.916 -1.999 0.250 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.153 -3.346 1.070 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.893 -2.940 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.425 -3.632 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.222 -4.463 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.015 -1.316 2.405 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -2.390 -1.850 1.916 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.165 -0.482 1.083 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.933 -5.401 -1.489 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.401 -6.185 -2.559 1.00 0.00 C ATOM 2039 C GLU B 45 -1.437 -7.237 -2.959 1.00 0.00 C ATOM 2040 O GLU B 45 -1.795 -8.105 -2.157 1.00 0.00 O ATOM 2041 CB GLU B 45 0.913 -6.856 -2.124 1.00 0.00 C ATOM 2042 CG GLU B 45 1.541 -7.773 -3.173 1.00 0.00 C ATOM 2043 CD GLU B 45 2.866 -8.344 -2.727 1.00 0.00 C ATOM 2044 OE1 GLU B 45 2.930 -8.968 -1.659 1.00 0.00 O ATOM 2045 OE2 GLU B 45 3.891 -8.147 -3.429 1.00 0.00 O ATOM 0 H GLU B 45 -1.106 -5.927 -0.633 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.184 -5.546 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.632 -6.080 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.727 -7.435 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.854 -8.590 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.683 -7.216 -4.099 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.978 -7.121 -4.167 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.913 -8.057 -4.704 1.00 0.00 C ATOM 2054 C PRO B 46 -2.285 -9.396 -4.817 1.00 0.00 C ATOM 2055 O PRO B 46 -1.069 -9.512 -5.027 1.00 0.00 O ATOM 2056 CB PRO B 46 -3.236 -7.539 -6.093 1.00 0.00 C ATOM 2057 CG PRO B 46 -2.205 -6.575 -6.377 1.00 0.00 C ATOM 2058 CD PRO B 46 -1.731 -6.051 -5.060 1.00 0.00 C ATOM 0 HA PRO B 46 -3.798 -8.153 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -3.235 -8.346 -6.826 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -4.225 -7.081 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.385 -7.036 -6.927 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.591 -5.767 -6.998 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.673 -5.790 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -2.273 -5.152 -4.768 1.00 0.00 H new ATOM 2066 N VAL B 47 -3.056 -10.386 -4.689 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.513 -11.702 -4.779 1.00 0.00 C ATOM 2068 C VAL B 47 -2.631 -12.129 -6.198 1.00 0.00 C ATOM 2069 O VAL B 47 -3.736 -12.371 -6.705 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.157 -12.736 -3.849 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.371 -14.005 -3.907 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.191 -12.240 -2.430 1.00 0.00 C ATOM 0 H VAL B 47 -4.061 -10.333 -4.522 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.477 -11.656 -4.444 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.181 -12.908 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.825 -14.744 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.367 -14.384 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.347 -13.813 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.653 -12.994 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.174 -12.048 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.770 -11.318 -2.381 1.00 0.00 H new