USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 HIS : no HE2:sc= -0.551! C(o=-0.55!,f=-5.4!) USER MOD Single : A 4 SER OG : rot -62:sc= -1.97! USER MOD Single : A 5 SER OG : rot -4:sc= 0.424 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.21) USER MOD Single : A 11 ASN : amide:sc= -0.198 K(o=-0.2,f=-8.6!) USER MOD Single : A 12 SER OG : rot -8:sc= 1.47 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 22 MET CE :methyl -167:sc= -1.18 (180deg=-1.73!) USER MOD Single : A 23 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -0.43 (180deg=-0.954!) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.03) USER MOD Single : B 3 HIS : no HE2:sc= 0.562 K(o=0.56,f=-4.6!) USER MOD Single : B 4 SER OG : rot 83:sc= -2.47! USER MOD Single : B 5 SER OG : rot -2:sc= 0.515 USER MOD Single : B 7 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.16) USER MOD Single : B 11 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.14) USER MOD Single : B 12 SER OG : rot -8:sc= 1.23 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : B 22 MET CE :methyl -170:sc= -1.41 (180deg=-1.82!) USER MOD Single : B 23 GLN : amide:sc= -0.482 K(o=-0.48,f=-2.6) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 161:sc= 0.317! (180deg=-0.529!) USER MOD Single : B 41 LYS NZ :NH3+ -150:sc= 1.22 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.496 -9.972 5.591 1.00 0.00 N ATOM 280 CA ILE A 2 -3.928 -9.966 5.832 1.00 0.00 C ATOM 281 C ILE A 2 -4.650 -10.039 4.489 1.00 0.00 C ATOM 282 O ILE A 2 -4.621 -9.085 3.705 1.00 0.00 O ATOM 283 CB ILE A 2 -4.380 -8.701 6.634 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.624 -8.628 7.974 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.891 -8.726 6.875 1.00 0.00 C ATOM 286 CD1 ILE A 2 -3.912 -7.376 8.786 1.00 0.00 C ATOM 0 HA ILE A 2 -4.185 -10.832 6.442 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.143 -7.814 6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.882 -9.502 8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.553 -8.681 7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.185 -7.838 7.434 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.412 -8.741 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.154 -9.617 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.340 -7.404 9.713 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.627 -6.495 8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.976 -7.329 9.017 1.00 0.00 H new ATOM 298 N HIS A 3 -5.242 -11.181 4.209 1.00 0.00 N ATOM 299 CA HIS A 3 -5.918 -11.406 2.946 1.00 0.00 C ATOM 300 C HIS A 3 -7.345 -10.875 2.992 1.00 0.00 C ATOM 301 O HIS A 3 -8.159 -11.268 3.840 1.00 0.00 O ATOM 302 CB HIS A 3 -5.885 -12.898 2.526 1.00 0.00 C ATOM 303 CG HIS A 3 -4.533 -13.417 2.037 1.00 0.00 C ATOM 304 ND1 HIS A 3 -4.332 -13.987 0.791 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.333 -13.491 2.658 1.00 0.00 C ATOM 306 CE1 HIS A 3 -3.063 -14.370 0.701 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.405 -14.095 1.809 1.00 0.00 N ATOM 0 H HIS A 3 -5.269 -11.977 4.846 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.374 -10.850 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.200 -13.503 3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.620 -13.051 1.736 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.040 -14.095 0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.126 -13.137 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.628 -14.844 -0.166 1.00 0.00 H new ATOM 315 N SER A 4 -7.625 -9.970 2.110 1.00 0.00 N ATOM 316 CA SER A 4 -8.898 -9.315 2.022 1.00 0.00 C ATOM 317 C SER A 4 -9.621 -9.781 0.762 1.00 0.00 C ATOM 318 O SER A 4 -9.390 -10.886 0.271 1.00 0.00 O ATOM 319 CB SER A 4 -8.627 -7.834 1.910 1.00 0.00 C ATOM 320 OG SER A 4 -7.881 -7.577 0.750 1.00 0.00 O ATOM 0 H SER A 4 -6.956 -9.654 1.408 1.00 0.00 H new ATOM 0 HA SER A 4 -9.514 -9.542 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.567 -7.284 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.083 -7.486 2.788 1.00 0.00 H new ATOM 0 HG SER A 4 -7.014 -8.029 0.812 1.00 0.00 H new ATOM 326 N SER A 5 -10.492 -8.945 0.262 1.00 0.00 N ATOM 327 CA SER A 5 -11.195 -9.158 -0.966 1.00 0.00 C ATOM 328 C SER A 5 -11.644 -7.802 -1.474 1.00 0.00 C ATOM 329 O SER A 5 -12.125 -6.975 -0.687 1.00 0.00 O ATOM 330 CB SER A 5 -12.405 -10.078 -0.768 1.00 0.00 C ATOM 331 OG SER A 5 -12.021 -11.331 -0.198 1.00 0.00 O ATOM 0 H SER A 5 -10.737 -8.067 0.719 1.00 0.00 H new ATOM 0 HA SER A 5 -10.539 -9.647 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.133 -9.590 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.895 -10.248 -1.727 1.00 0.00 H new ATOM 0 HG SER A 5 -11.046 -11.365 -0.109 1.00 0.00 H new ATOM 337 N VAL A 6 -11.439 -7.553 -2.733 1.00 0.00 N ATOM 338 CA VAL A 6 -11.847 -6.305 -3.333 1.00 0.00 C ATOM 339 C VAL A 6 -13.253 -6.456 -3.805 1.00 0.00 C ATOM 340 O VAL A 6 -13.542 -7.315 -4.620 1.00 0.00 O ATOM 341 CB VAL A 6 -10.969 -5.922 -4.539 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.354 -4.553 -5.078 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.523 -5.947 -4.154 1.00 0.00 C ATOM 0 H VAL A 6 -10.986 -8.202 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.748 -5.520 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.134 -6.654 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.720 -4.305 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.397 -4.567 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.222 -3.804 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.913 -5.675 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.349 -5.236 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.253 -6.949 -3.820 1.00 0.00 H new ATOM 353 N LYS A 7 -14.117 -5.667 -3.298 1.00 0.00 N ATOM 354 CA LYS A 7 -15.483 -5.737 -3.681 1.00 0.00 C ATOM 355 C LYS A 7 -15.843 -4.438 -4.382 1.00 0.00 C ATOM 356 O LYS A 7 -15.067 -3.492 -4.350 1.00 0.00 O ATOM 357 CB LYS A 7 -16.333 -5.955 -2.450 1.00 0.00 C ATOM 358 CG LYS A 7 -16.088 -7.257 -1.708 1.00 0.00 C ATOM 359 CD LYS A 7 -16.584 -8.438 -2.507 1.00 0.00 C ATOM 360 CE LYS A 7 -16.536 -9.711 -1.686 1.00 0.00 C ATOM 361 NZ LYS A 7 -17.213 -10.833 -2.359 1.00 0.00 N ATOM 0 H LYS A 7 -13.904 -4.951 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.661 -6.569 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.163 -5.127 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.382 -5.916 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.023 -7.371 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.592 -7.229 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.606 -8.254 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.975 -8.556 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.497 -9.978 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.004 -9.535 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.126 -11.690 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.219 -10.604 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.773 -10.998 -3.287 1.00 0.00 H new ATOM 375 N ARG A 8 -16.966 -4.387 -5.027 1.00 0.00 N ATOM 376 CA ARG A 8 -17.356 -3.183 -5.702 1.00 0.00 C ATOM 377 C ARG A 8 -18.399 -2.433 -4.887 1.00 0.00 C ATOM 378 O ARG A 8 -19.462 -2.970 -4.567 1.00 0.00 O ATOM 379 CB ARG A 8 -17.876 -3.466 -7.093 1.00 0.00 C ATOM 380 CG ARG A 8 -18.137 -2.197 -7.883 1.00 0.00 C ATOM 381 CD ARG A 8 -18.583 -2.525 -9.268 1.00 0.00 C ATOM 382 NE ARG A 8 -17.492 -3.045 -10.124 1.00 0.00 N ATOM 383 CZ ARG A 8 -17.550 -4.172 -10.863 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.613 -4.967 -10.794 1.00 0.00 N ATOM 385 NH2 ARG A 8 -16.537 -4.505 -11.656 1.00 0.00 N ATOM 0 H ARG A 8 -17.628 -5.159 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.469 -2.558 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.154 -4.082 -7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.798 -4.043 -7.023 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.899 -1.600 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.231 -1.592 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.382 -3.265 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.003 -1.631 -9.729 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.626 -2.507 -10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.391 -4.726 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.651 -5.818 -11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.712 -3.908 -11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.585 -5.358 -12.213 1.00 0.00 H new ATOM 399 N TRP A 9 -18.087 -1.220 -4.543 1.00 0.00 N ATOM 400 CA TRP A 9 -18.967 -0.367 -3.786 1.00 0.00 C ATOM 401 C TRP A 9 -19.367 0.762 -4.690 1.00 0.00 C ATOM 402 O TRP A 9 -18.551 1.656 -4.993 1.00 0.00 O ATOM 403 CB TRP A 9 -18.237 0.126 -2.536 1.00 0.00 C ATOM 404 CG TRP A 9 -19.003 0.972 -1.560 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.341 0.989 -1.348 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.444 1.904 -0.604 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.632 1.838 -0.324 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.518 2.423 0.123 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.151 2.351 -0.287 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.368 3.346 1.124 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -17.008 3.273 0.711 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.124 3.765 1.402 1.00 0.00 C ATOM 0 H TRP A 9 -17.197 -0.782 -4.783 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.861 -0.892 -3.448 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.865 -0.747 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.366 0.696 -2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.067 0.416 -1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.567 2.003 0.048 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.290 1.975 -0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.220 3.723 1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -16.022 3.628 0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.979 4.501 2.179 1.00 0.00 H new ATOM 423 N GLY A 10 -20.565 0.662 -5.212 1.00 0.00 N ATOM 424 CA GLY A 10 -21.046 1.620 -6.134 1.00 0.00 C ATOM 425 C GLY A 10 -20.377 1.400 -7.439 1.00 0.00 C ATOM 426 O GLY A 10 -20.443 0.303 -8.005 1.00 0.00 O ATOM 0 H GLY A 10 -21.221 -0.090 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.127 1.530 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.845 2.628 -5.771 1.00 0.00 H new ATOM 430 N ASN A 11 -19.696 2.385 -7.902 1.00 0.00 N ATOM 431 CA ASN A 11 -18.951 2.247 -9.126 1.00 0.00 C ATOM 432 C ASN A 11 -17.454 2.072 -8.859 1.00 0.00 C ATOM 433 O ASN A 11 -16.651 2.199 -9.784 1.00 0.00 O ATOM 434 CB ASN A 11 -19.191 3.469 -10.046 1.00 0.00 C ATOM 435 CG ASN A 11 -18.754 4.817 -9.443 1.00 0.00 C ATOM 436 OD1 ASN A 11 -17.803 4.910 -8.656 1.00 0.00 O ATOM 437 ND2 ASN A 11 -19.445 5.856 -9.791 1.00 0.00 N ATOM 0 H ASN A 11 -19.631 3.302 -7.460 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.307 1.348 -9.628 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -18.656 3.314 -10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.252 3.521 -10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.209 6.774 -9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -20.225 5.756 -10.441 1.00 0.00 H new ATOM 444 N SER A 12 -17.051 1.718 -7.639 1.00 0.00 N ATOM 445 CA SER A 12 -15.670 1.727 -7.352 1.00 0.00 C ATOM 446 C SER A 12 -15.255 0.513 -6.563 1.00 0.00 C ATOM 447 O SER A 12 -15.990 0.060 -5.683 1.00 0.00 O ATOM 448 CB SER A 12 -15.307 3.004 -6.604 1.00 0.00 C ATOM 449 OG SER A 12 -16.112 3.170 -5.434 1.00 0.00 O ATOM 0 H SER A 12 -17.662 1.434 -6.873 1.00 0.00 H new ATOM 0 HA SER A 12 -15.128 1.697 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.254 2.976 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.438 3.863 -7.262 1.00 0.00 H new ATOM 0 HG SER A 12 -16.822 2.495 -5.427 1.00 0.00 H new ATOM 455 N PRO A 13 -14.131 -0.071 -6.932 1.00 0.00 N ATOM 456 CA PRO A 13 -13.504 -1.122 -6.161 1.00 0.00 C ATOM 457 C PRO A 13 -13.157 -0.608 -4.772 1.00 0.00 C ATOM 458 O PRO A 13 -12.437 0.383 -4.624 1.00 0.00 O ATOM 459 CB PRO A 13 -12.215 -1.456 -6.917 1.00 0.00 C ATOM 460 CG PRO A 13 -12.252 -0.700 -8.203 1.00 0.00 C ATOM 461 CD PRO A 13 -13.418 0.241 -8.166 1.00 0.00 C ATOM 0 HA PRO A 13 -14.155 -1.988 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.340 -1.175 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.144 -2.528 -7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.323 -0.147 -8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.346 -1.387 -9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.085 1.279 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.060 0.104 -9.036 1.00 0.00 H new ATOM 469 N ALA A 14 -13.685 -1.240 -3.782 1.00 0.00 N ATOM 470 CA ALA A 14 -13.458 -0.847 -2.442 1.00 0.00 C ATOM 471 C ALA A 14 -13.011 -2.033 -1.638 1.00 0.00 C ATOM 472 O ALA A 14 -13.562 -3.142 -1.761 1.00 0.00 O ATOM 473 CB ALA A 14 -14.706 -0.219 -1.850 1.00 0.00 C ATOM 0 H ALA A 14 -14.293 -2.053 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.670 -0.095 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.511 0.076 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.983 0.659 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.522 -0.941 -1.872 1.00 0.00 H new ATOM 479 N VAL A 15 -11.997 -1.826 -0.866 1.00 0.00 N ATOM 480 CA VAL A 15 -11.461 -2.855 -0.026 1.00 0.00 C ATOM 481 C VAL A 15 -11.899 -2.574 1.393 1.00 0.00 C ATOM 482 O VAL A 15 -11.946 -1.416 1.807 1.00 0.00 O ATOM 483 CB VAL A 15 -9.901 -2.898 -0.097 1.00 0.00 C ATOM 484 CG1 VAL A 15 -9.331 -4.040 0.745 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.432 -3.024 -1.536 1.00 0.00 C ATOM 0 H VAL A 15 -11.510 -0.932 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.830 -3.823 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.530 -1.959 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.243 -4.039 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.624 -3.906 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.718 -4.991 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.343 -3.052 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.829 -3.942 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.787 -2.168 -2.111 1.00 0.00 H new ATOM 495 N ARG A 16 -12.267 -3.609 2.100 1.00 0.00 N ATOM 496 CA ARG A 16 -12.636 -3.493 3.484 1.00 0.00 C ATOM 497 C ARG A 16 -11.386 -3.527 4.346 1.00 0.00 C ATOM 498 O ARG A 16 -10.769 -4.583 4.514 1.00 0.00 O ATOM 499 CB ARG A 16 -13.599 -4.608 3.874 1.00 0.00 C ATOM 500 CG ARG A 16 -14.932 -4.482 3.194 1.00 0.00 C ATOM 501 CD ARG A 16 -15.882 -5.563 3.582 1.00 0.00 C ATOM 502 NE ARG A 16 -16.318 -5.456 4.977 1.00 0.00 N ATOM 503 CZ ARG A 16 -16.831 -6.461 5.693 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.925 -7.671 5.164 1.00 0.00 N ATOM 505 NH2 ARG A 16 -17.243 -6.258 6.936 1.00 0.00 N ATOM 0 H ARG A 16 -12.319 -4.558 1.731 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.146 -2.543 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.156 -5.571 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.744 -4.597 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.370 -3.514 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.787 -4.502 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.754 -5.527 2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.407 -6.532 3.427 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.223 -4.549 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.606 -7.837 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.317 -8.438 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.170 -5.330 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.633 -7.030 7.476 1.00 0.00 H new ATOM 519 N ILE A 17 -10.997 -2.380 4.839 1.00 0.00 N ATOM 520 CA ILE A 17 -9.806 -2.244 5.646 1.00 0.00 C ATOM 521 C ILE A 17 -10.158 -2.491 7.106 1.00 0.00 C ATOM 522 O ILE A 17 -11.175 -1.990 7.591 1.00 0.00 O ATOM 523 CB ILE A 17 -9.105 -0.824 5.466 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.300 -0.710 4.165 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.220 -0.436 6.620 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.114 -0.530 2.940 1.00 0.00 C ATOM 0 H ILE A 17 -11.500 -1.505 4.692 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.084 -2.988 5.309 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.943 -0.128 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.612 0.131 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.693 -1.608 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.778 0.541 6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.812 -0.392 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.428 -1.176 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.457 -0.460 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.783 -1.382 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.702 0.384 3.025 1.00 0.00 H new ATOM 538 N PRO A 18 -9.364 -3.312 7.814 1.00 0.00 N ATOM 539 CA PRO A 18 -9.582 -3.561 9.226 1.00 0.00 C ATOM 540 C PRO A 18 -9.459 -2.263 10.031 1.00 0.00 C ATOM 541 O PRO A 18 -8.438 -1.546 9.943 1.00 0.00 O ATOM 542 CB PRO A 18 -8.467 -4.550 9.614 1.00 0.00 C ATOM 543 CG PRO A 18 -7.459 -4.455 8.520 1.00 0.00 C ATOM 544 CD PRO A 18 -8.214 -4.069 7.285 1.00 0.00 C ATOM 0 HA PRO A 18 -10.578 -3.954 9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.028 -4.290 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.855 -5.565 9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.696 -3.713 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.946 -5.406 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.606 -3.461 6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.534 -4.944 6.719 1.00 0.00 H new ATOM 552 N ALA A 19 -10.481 -1.970 10.819 1.00 0.00 N ATOM 553 CA ALA A 19 -10.541 -0.764 11.636 1.00 0.00 C ATOM 554 C ALA A 19 -9.391 -0.739 12.629 1.00 0.00 C ATOM 555 O ALA A 19 -8.942 0.317 13.045 1.00 0.00 O ATOM 556 CB ALA A 19 -11.878 -0.672 12.355 1.00 0.00 C ATOM 0 H ALA A 19 -11.302 -2.568 10.912 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.447 0.103 10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.904 0.234 12.960 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.684 -0.643 11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.005 -1.542 12.999 1.00 0.00 H new ATOM 562 N THR A 20 -8.902 -1.920 12.953 1.00 0.00 N ATOM 563 CA THR A 20 -7.772 -2.124 13.827 1.00 0.00 C ATOM 564 C THR A 20 -6.527 -1.348 13.310 1.00 0.00 C ATOM 565 O THR A 20 -5.760 -0.783 14.091 1.00 0.00 O ATOM 566 CB THR A 20 -7.475 -3.632 13.844 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.725 -4.334 13.960 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.595 -4.004 15.018 1.00 0.00 C ATOM 0 H THR A 20 -9.297 -2.792 12.601 1.00 0.00 H new ATOM 0 HA THR A 20 -7.999 -1.756 14.828 1.00 0.00 H new ATOM 0 HB THR A 20 -6.953 -3.901 12.926 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.558 -5.300 13.971 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.403 -5.077 15.003 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.650 -3.465 14.950 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.098 -3.739 15.948 1.00 0.00 H new ATOM 576 N LEU A 21 -6.374 -1.289 11.992 1.00 0.00 N ATOM 577 CA LEU A 21 -5.239 -0.613 11.362 1.00 0.00 C ATOM 578 C LEU A 21 -5.476 0.847 11.280 1.00 0.00 C ATOM 579 O LEU A 21 -4.557 1.645 11.405 1.00 0.00 O ATOM 580 CB LEU A 21 -4.960 -1.187 9.988 1.00 0.00 C ATOM 581 CG LEU A 21 -4.084 -2.426 9.946 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.641 -2.056 10.256 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.560 -3.485 10.926 1.00 0.00 C ATOM 0 H LEU A 21 -7.029 -1.706 11.330 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.360 -0.782 11.984 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.913 -1.425 9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.489 -0.413 9.382 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.151 -2.842 8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.021 -2.952 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.282 -1.339 9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.585 -1.612 11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.907 -4.356 10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.535 -3.082 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.580 -3.778 10.678 1.00 0.00 H new ATOM 595 N MET A 22 -6.709 1.183 11.079 1.00 0.00 N ATOM 596 CA MET A 22 -7.161 2.575 11.106 1.00 0.00 C ATOM 597 C MET A 22 -6.772 3.195 12.430 1.00 0.00 C ATOM 598 O MET A 22 -6.190 4.273 12.486 1.00 0.00 O ATOM 599 CB MET A 22 -8.672 2.638 10.930 1.00 0.00 C ATOM 600 CG MET A 22 -9.172 2.216 9.566 1.00 0.00 C ATOM 601 SD MET A 22 -8.865 3.442 8.309 1.00 0.00 S ATOM 602 CE MET A 22 -9.863 4.778 8.956 1.00 0.00 C ATOM 0 H MET A 22 -7.451 0.510 10.889 1.00 0.00 H new ATOM 0 HA MET A 22 -6.692 3.125 10.290 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.138 2.004 11.684 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.004 3.658 11.123 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.690 1.281 9.281 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.243 2.019 9.621 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.981 5.547 8.192 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.843 4.395 9.240 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.374 5.207 9.830 1.00 0.00 H new ATOM 612 N GLN A 23 -7.078 2.476 13.473 1.00 0.00 N ATOM 613 CA GLN A 23 -6.713 2.833 14.835 1.00 0.00 C ATOM 614 C GLN A 23 -5.212 2.847 15.009 1.00 0.00 C ATOM 615 O GLN A 23 -4.665 3.720 15.683 1.00 0.00 O ATOM 616 CB GLN A 23 -7.297 1.818 15.793 1.00 0.00 C ATOM 617 CG GLN A 23 -8.795 1.774 15.764 1.00 0.00 C ATOM 618 CD GLN A 23 -9.380 0.674 16.620 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.777 -0.382 16.804 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.563 0.892 17.123 1.00 0.00 N ATOM 0 H GLN A 23 -7.601 1.602 13.409 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.104 3.829 15.041 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.906 0.830 15.549 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.966 2.051 16.805 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.186 2.734 16.102 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.127 1.639 14.735 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.035 1.780 16.950 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.017 0.175 17.689 1.00 0.00 H new ATOM 629 N ALA A 24 -4.548 1.915 14.355 1.00 0.00 N ATOM 630 CA ALA A 24 -3.103 1.751 14.521 1.00 0.00 C ATOM 631 C ALA A 24 -2.339 2.914 13.918 1.00 0.00 C ATOM 632 O ALA A 24 -1.316 3.334 14.438 1.00 0.00 O ATOM 633 CB ALA A 24 -2.627 0.433 13.925 1.00 0.00 C ATOM 0 H ALA A 24 -4.977 1.258 13.704 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.900 1.735 15.592 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.550 0.339 14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.130 -0.395 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.859 0.410 12.860 1.00 0.00 H new ATOM 639 N LEU A 25 -2.846 3.432 12.835 1.00 0.00 N ATOM 640 CA LEU A 25 -2.219 4.539 12.147 1.00 0.00 C ATOM 641 C LEU A 25 -2.885 5.870 12.511 1.00 0.00 C ATOM 642 O LEU A 25 -2.510 6.933 12.013 1.00 0.00 O ATOM 643 CB LEU A 25 -2.240 4.267 10.664 1.00 0.00 C ATOM 644 CG LEU A 25 -1.410 3.064 10.232 1.00 0.00 C ATOM 645 CD1 LEU A 25 -1.771 2.674 8.838 1.00 0.00 C ATOM 646 CD2 LEU A 25 0.077 3.377 10.312 1.00 0.00 C ATOM 0 H LEU A 25 -3.707 3.102 12.399 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.180 4.630 12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.272 4.112 10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.876 5.151 10.140 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.625 2.236 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.174 1.814 8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.829 2.415 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.574 3.508 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.650 2.504 9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.308 4.217 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.340 3.635 11.338 1.00 0.00 H new ATOM 658 N ASN A 26 -3.880 5.777 13.394 1.00 0.00 N ATOM 659 CA ASN A 26 -4.588 6.930 13.997 1.00 0.00 C ATOM 660 C ASN A 26 -5.432 7.757 13.028 1.00 0.00 C ATOM 661 O ASN A 26 -5.718 8.931 13.297 1.00 0.00 O ATOM 662 CB ASN A 26 -3.640 7.833 14.815 1.00 0.00 C ATOM 663 CG ASN A 26 -3.161 7.170 16.091 1.00 0.00 C ATOM 664 OD1 ASN A 26 -3.815 7.265 17.135 1.00 0.00 O ATOM 665 ND2 ASN A 26 -2.022 6.524 16.038 1.00 0.00 N ATOM 0 H ASN A 26 -4.232 4.879 13.725 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.305 6.468 14.676 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.778 8.099 14.202 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.153 8.762 15.063 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.648 6.079 16.876 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.509 6.466 15.158 1.00 0.00 H new ATOM 672 N LEU A 27 -5.912 7.142 11.968 1.00 0.00 N ATOM 673 CA LEU A 27 -6.762 7.820 11.042 1.00 0.00 C ATOM 674 C LEU A 27 -8.216 7.450 11.320 1.00 0.00 C ATOM 675 O LEU A 27 -8.495 6.447 11.993 1.00 0.00 O ATOM 676 CB LEU A 27 -6.397 7.540 9.589 1.00 0.00 C ATOM 677 CG LEU A 27 -6.428 6.110 9.086 1.00 0.00 C ATOM 678 CD1 LEU A 27 -6.791 6.143 7.632 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.066 5.465 9.220 1.00 0.00 C ATOM 0 H LEU A 27 -5.720 6.168 11.735 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.621 8.891 11.188 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.071 8.124 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.391 7.926 9.422 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.149 5.538 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.821 5.126 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.770 6.607 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.046 6.720 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.111 4.440 8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.338 6.028 8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.766 5.463 10.268 1.00 0.00 H new ATOM 691 N ASN A 28 -9.136 8.248 10.851 1.00 0.00 N ATOM 692 CA ASN A 28 -10.571 8.022 11.089 1.00 0.00 C ATOM 693 C ASN A 28 -11.318 7.972 9.772 1.00 0.00 C ATOM 694 O ASN A 28 -10.715 8.104 8.706 1.00 0.00 O ATOM 695 CB ASN A 28 -11.180 9.150 11.952 1.00 0.00 C ATOM 696 CG ASN A 28 -10.885 9.103 13.464 1.00 0.00 C ATOM 697 OD1 ASN A 28 -9.853 8.412 13.889 1.00 0.00 O flip ATOM 698 ND2 ASN A 28 -11.652 9.651 14.251 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.933 9.077 10.292 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.669 7.073 11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.823 10.104 11.565 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.261 9.136 11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.448 10.183 13.900 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.493 9.574 15.256 1.00 0.00 H new ATOM 705 N ILE A 29 -12.621 7.762 9.844 1.00 0.00 N ATOM 706 CA ILE A 29 -13.471 7.800 8.670 1.00 0.00 C ATOM 707 C ILE A 29 -13.608 9.263 8.244 1.00 0.00 C ATOM 708 O ILE A 29 -13.631 10.155 9.105 1.00 0.00 O ATOM 709 CB ILE A 29 -14.876 7.161 8.964 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.751 5.657 9.280 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.879 7.379 7.823 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.156 4.825 8.165 1.00 0.00 C ATOM 0 H ILE A 29 -13.116 7.562 10.713 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.026 7.214 7.866 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.265 7.677 9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.137 5.537 10.172 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.740 5.266 9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.831 6.916 8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.026 8.448 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.493 6.928 6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.107 3.782 8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.780 4.909 7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.152 5.184 7.939 1.00 0.00 H new ATOM 724 N ASP A 30 -13.639 9.484 6.933 1.00 0.00 N ATOM 725 CA ASP A 30 -13.695 10.805 6.297 1.00 0.00 C ATOM 726 C ASP A 30 -12.346 11.468 6.250 1.00 0.00 C ATOM 727 O ASP A 30 -12.232 12.661 5.944 1.00 0.00 O ATOM 728 CB ASP A 30 -14.787 11.756 6.853 1.00 0.00 C ATOM 729 CG ASP A 30 -16.163 11.465 6.301 1.00 0.00 C ATOM 730 OD1 ASP A 30 -16.371 11.655 5.077 1.00 0.00 O ATOM 731 OD2 ASP A 30 -17.084 11.095 7.066 1.00 0.00 O ATOM 0 H ASP A 30 -13.625 8.722 6.255 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.006 10.598 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.813 11.674 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.518 12.786 6.618 1.00 0.00 H new ATOM 736 N ASP A 31 -11.303 10.696 6.487 1.00 0.00 N ATOM 737 CA ASP A 31 -9.974 11.216 6.379 1.00 0.00 C ATOM 738 C ASP A 31 -9.521 10.942 4.948 1.00 0.00 C ATOM 739 O ASP A 31 -10.209 10.231 4.198 1.00 0.00 O ATOM 740 CB ASP A 31 -9.018 10.562 7.402 1.00 0.00 C ATOM 741 CG ASP A 31 -7.802 11.434 7.735 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.325 12.192 6.867 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.356 11.424 8.896 1.00 0.00 O ATOM 0 H ASP A 31 -11.360 9.713 6.754 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.960 12.283 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.567 10.350 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.674 9.605 7.008 1.00 0.00 H new ATOM 748 N GLU A 32 -8.408 11.445 4.597 1.00 0.00 N ATOM 749 CA GLU A 32 -7.902 11.405 3.274 1.00 0.00 C ATOM 750 C GLU A 32 -6.581 10.641 3.254 1.00 0.00 C ATOM 751 O GLU A 32 -5.752 10.821 4.148 1.00 0.00 O ATOM 752 CB GLU A 32 -7.734 12.855 2.827 1.00 0.00 C ATOM 753 CG GLU A 32 -7.077 13.047 1.501 1.00 0.00 C ATOM 754 CD GLU A 32 -7.081 14.489 1.078 1.00 0.00 C ATOM 755 OE1 GLU A 32 -8.129 14.976 0.608 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.042 15.170 1.208 1.00 0.00 O ATOM 0 H GLU A 32 -7.788 11.922 5.251 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.575 10.886 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.718 13.324 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.152 13.384 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.050 12.685 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.591 12.447 0.750 1.00 0.00 H new ATOM 763 N VAL A 33 -6.395 9.745 2.277 1.00 0.00 N ATOM 764 CA VAL A 33 -5.137 8.998 2.212 1.00 0.00 C ATOM 765 C VAL A 33 -4.530 9.069 0.836 1.00 0.00 C ATOM 766 O VAL A 33 -5.227 9.341 -0.146 1.00 0.00 O ATOM 767 CB VAL A 33 -5.251 7.493 2.666 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.169 7.373 3.812 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.683 6.546 1.563 1.00 0.00 C ATOM 0 H VAL A 33 -7.072 9.526 1.547 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.483 9.490 2.932 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.243 7.193 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.238 6.328 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.792 7.968 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.157 7.734 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.737 5.531 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.663 6.844 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.959 6.582 0.749 1.00 0.00 H new ATOM 779 N LYS A 34 -3.250 8.846 0.765 1.00 0.00 N ATOM 780 CA LYS A 34 -2.566 8.796 -0.516 1.00 0.00 C ATOM 781 C LYS A 34 -2.355 7.363 -0.948 1.00 0.00 C ATOM 782 O LYS A 34 -1.753 6.570 -0.220 1.00 0.00 O ATOM 783 CB LYS A 34 -1.180 9.458 -0.498 1.00 0.00 C ATOM 784 CG LYS A 34 -1.131 10.899 -0.060 1.00 0.00 C ATOM 785 CD LYS A 34 0.242 11.573 -0.337 1.00 0.00 C ATOM 786 CE LYS A 34 1.450 10.878 0.334 1.00 0.00 C ATOM 787 NZ LYS A 34 1.886 9.646 -0.381 1.00 0.00 N ATOM 0 H LYS A 34 -2.649 8.694 1.575 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.212 9.342 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.533 8.879 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.756 9.391 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.913 11.456 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.349 10.956 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.408 11.600 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.199 12.607 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.284 11.578 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.190 10.622 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.008 8.872 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.166 9.378 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.789 9.826 -0.864 1.00 0.00 H new ATOM 801 N ILE A 35 -2.851 7.040 -2.098 1.00 0.00 N ATOM 802 CA ILE A 35 -2.546 5.786 -2.735 1.00 0.00 C ATOM 803 C ILE A 35 -1.479 6.125 -3.740 1.00 0.00 C ATOM 804 O ILE A 35 -1.729 6.894 -4.684 1.00 0.00 O ATOM 805 CB ILE A 35 -3.757 5.117 -3.497 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.946 4.774 -2.574 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.303 3.862 -4.232 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.775 5.956 -2.149 1.00 0.00 C ATOM 0 H ILE A 35 -3.483 7.637 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.256 5.062 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.109 5.861 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.591 4.060 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.564 4.276 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.152 3.417 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.532 4.124 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.899 3.147 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.586 5.618 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.149 6.663 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.192 6.444 -3.030 1.00 0.00 H new ATOM 820 N ASP A 36 -0.303 5.651 -3.525 1.00 0.00 N ATOM 821 CA ASP A 36 0.775 5.984 -4.400 1.00 0.00 C ATOM 822 C ASP A 36 1.382 4.699 -4.907 1.00 0.00 C ATOM 823 O ASP A 36 1.695 3.801 -4.131 1.00 0.00 O ATOM 824 CB ASP A 36 1.793 6.842 -3.644 1.00 0.00 C ATOM 825 CG ASP A 36 2.571 7.776 -4.533 1.00 0.00 C ATOM 826 OD1 ASP A 36 1.995 8.324 -5.501 1.00 0.00 O ATOM 827 OD2 ASP A 36 3.726 8.070 -4.216 1.00 0.00 O ATOM 0 H ASP A 36 -0.058 5.031 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 36 0.429 6.566 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.272 7.426 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.490 6.188 -3.120 1.00 0.00 H new ATOM 832 N LEU A 37 1.480 4.575 -6.193 1.00 0.00 N ATOM 833 CA LEU A 37 1.964 3.428 -6.795 1.00 0.00 C ATOM 834 C LEU A 37 3.463 3.580 -6.891 1.00 0.00 C ATOM 835 O LEU A 37 3.975 4.634 -7.295 1.00 0.00 O ATOM 836 CB LEU A 37 1.291 3.310 -8.169 1.00 0.00 C ATOM 837 CG LEU A 37 1.397 1.996 -8.938 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.778 1.776 -9.447 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.938 0.840 -8.082 1.00 0.00 C ATOM 0 H LEU A 37 1.210 5.306 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 37 1.746 2.518 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.231 3.528 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.700 4.096 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 37 0.738 2.058 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.820 0.832 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.054 2.591 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.474 1.743 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.021 -0.088 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.561 0.778 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.100 0.994 -7.789 1.00 0.00 H new ATOM 851 N VAL A 38 4.140 2.563 -6.486 1.00 0.00 N ATOM 852 CA VAL A 38 5.605 2.549 -6.464 1.00 0.00 C ATOM 853 C VAL A 38 6.121 1.163 -6.843 1.00 0.00 C ATOM 854 O VAL A 38 5.943 0.225 -6.080 1.00 0.00 O ATOM 855 CB VAL A 38 6.196 2.893 -5.044 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.719 2.997 -5.094 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.596 4.162 -4.441 1.00 0.00 C ATOM 0 H VAL A 38 3.712 1.699 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 38 5.926 3.309 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 38 5.917 2.067 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.100 3.235 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.138 2.047 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.007 3.783 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.042 4.347 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.798 5.008 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.519 4.038 -4.330 1.00 0.00 H new ATOM 867 N ASP A 39 6.698 1.025 -8.039 1.00 0.00 N ATOM 868 CA ASP A 39 7.363 -0.250 -8.489 1.00 0.00 C ATOM 869 C ASP A 39 6.335 -1.406 -8.582 1.00 0.00 C ATOM 870 O ASP A 39 6.656 -2.594 -8.492 1.00 0.00 O ATOM 871 CB ASP A 39 8.541 -0.602 -7.526 1.00 0.00 C ATOM 872 CG ASP A 39 9.384 -1.783 -7.976 1.00 0.00 C ATOM 873 OD1 ASP A 39 10.098 -1.657 -8.981 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.383 -2.843 -7.295 1.00 0.00 O ATOM 0 H ASP A 39 6.730 1.772 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 39 7.772 -0.104 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.185 0.271 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.135 -0.816 -6.537 1.00 0.00 H new ATOM 879 N GLY A 40 5.108 -1.033 -8.810 1.00 0.00 N ATOM 880 CA GLY A 40 4.019 -1.988 -8.900 1.00 0.00 C ATOM 881 C GLY A 40 3.437 -2.331 -7.542 1.00 0.00 C ATOM 882 O GLY A 40 2.620 -3.238 -7.418 1.00 0.00 O ATOM 0 H GLY A 40 4.825 -0.062 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.234 -1.580 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.377 -2.899 -9.379 1.00 0.00 H new ATOM 886 N LYS A 41 3.872 -1.637 -6.529 1.00 0.00 N ATOM 887 CA LYS A 41 3.397 -1.867 -5.194 1.00 0.00 C ATOM 888 C LYS A 41 2.407 -0.778 -4.856 1.00 0.00 C ATOM 889 O LYS A 41 2.602 0.388 -5.255 1.00 0.00 O ATOM 890 CB LYS A 41 4.562 -1.770 -4.219 1.00 0.00 C ATOM 891 CG LYS A 41 4.326 -2.415 -2.863 1.00 0.00 C ATOM 892 CD LYS A 41 4.338 -3.926 -2.967 1.00 0.00 C ATOM 893 CE LYS A 41 5.740 -4.466 -3.249 1.00 0.00 C ATOM 894 NZ LYS A 41 5.733 -5.911 -3.522 1.00 0.00 N ATOM 0 H LYS A 41 4.567 -0.895 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 41 2.937 -2.853 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.437 -2.232 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.801 -0.717 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.096 -2.090 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.369 -2.083 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.963 -4.357 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.661 -4.241 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.166 -3.939 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.385 -4.262 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.705 -6.278 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.144 -6.395 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.346 -6.083 -4.472 1.00 0.00 H new ATOM 908 N LEU A 42 1.359 -1.127 -4.156 1.00 0.00 N ATOM 909 CA LEU A 42 0.417 -0.140 -3.711 1.00 0.00 C ATOM 910 C LEU A 42 0.810 0.335 -2.365 1.00 0.00 C ATOM 911 O LEU A 42 0.675 -0.368 -1.355 1.00 0.00 O ATOM 912 CB LEU A 42 -1.028 -0.629 -3.739 1.00 0.00 C ATOM 913 CG LEU A 42 -1.669 -0.778 -5.115 1.00 0.00 C ATOM 914 CD1 LEU A 42 -2.877 -1.694 -5.025 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.128 0.576 -5.677 1.00 0.00 C ATOM 0 H LEU A 42 1.139 -2.085 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 42 0.448 0.692 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.071 -1.595 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.634 0.063 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.915 -1.198 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.330 -1.796 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.564 -2.674 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.605 -1.270 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.579 0.429 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.861 1.020 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.270 1.242 -5.769 1.00 0.00 H new ATOM 927 N ILE A 43 1.341 1.489 -2.367 1.00 0.00 N ATOM 928 CA ILE A 43 1.804 2.115 -1.178 1.00 0.00 C ATOM 929 C ILE A 43 0.747 3.060 -0.703 1.00 0.00 C ATOM 930 O ILE A 43 0.469 4.096 -1.324 1.00 0.00 O ATOM 931 CB ILE A 43 3.105 2.886 -1.430 1.00 0.00 C ATOM 932 CG1 ILE A 43 4.165 1.980 -2.049 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.621 3.568 -0.165 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.620 0.825 -1.181 1.00 0.00 C ATOM 0 H ILE A 43 1.474 2.047 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 43 2.006 1.352 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 43 2.881 3.678 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.774 1.578 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.034 2.587 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.544 4.102 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.873 4.273 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.814 2.816 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.373 0.244 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.047 1.212 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.767 0.187 -0.948 1.00 0.00 H new ATOM 946 N ILE A 44 0.122 2.673 0.326 1.00 0.00 N ATOM 947 CA ILE A 44 -0.890 3.469 0.936 1.00 0.00 C ATOM 948 C ILE A 44 -0.304 4.161 2.142 1.00 0.00 C ATOM 949 O ILE A 44 0.292 3.527 3.031 1.00 0.00 O ATOM 950 CB ILE A 44 -2.210 2.669 1.294 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.072 2.368 0.036 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.062 3.424 2.313 1.00 0.00 C ATOM 953 CD1 ILE A 44 -2.443 1.481 -1.018 1.00 0.00 C ATOM 0 H ILE A 44 0.290 1.780 0.790 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.215 4.209 0.205 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.882 1.724 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.002 1.902 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.337 3.317 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.959 2.847 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.489 3.572 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.346 4.393 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.142 1.346 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.530 1.947 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.204 0.511 -0.582 1.00 0.00 H new ATOM 965 N GLU A 45 -0.432 5.448 2.146 1.00 0.00 N ATOM 966 CA GLU A 45 0.085 6.275 3.196 1.00 0.00 C ATOM 967 C GLU A 45 -1.035 7.171 3.616 1.00 0.00 C ATOM 968 O GLU A 45 -1.871 7.536 2.779 1.00 0.00 O ATOM 969 CB GLU A 45 1.261 7.142 2.696 1.00 0.00 C ATOM 970 CG GLU A 45 2.483 6.373 2.224 1.00 0.00 C ATOM 971 CD GLU A 45 3.583 7.275 1.738 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.453 7.859 0.638 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.604 7.390 2.429 1.00 0.00 O ATOM 0 H GLU A 45 -0.907 5.967 1.407 1.00 0.00 H new ATOM 0 HA GLU A 45 0.453 5.658 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.907 7.767 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.563 7.813 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.858 5.757 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.193 5.695 1.421 1.00 0.00 H new ATOM 980 N PRO A 46 -1.106 7.565 4.867 1.00 0.00 N ATOM 981 CA PRO A 46 -2.136 8.410 5.296 1.00 0.00 C ATOM 982 C PRO A 46 -1.713 9.838 5.107 1.00 0.00 C ATOM 983 O PRO A 46 -0.527 10.134 4.871 1.00 0.00 O ATOM 984 CB PRO A 46 -2.298 8.089 6.779 1.00 0.00 C ATOM 985 CG PRO A 46 -1.104 7.285 7.151 1.00 0.00 C ATOM 986 CD PRO A 46 -0.175 7.296 5.956 1.00 0.00 C ATOM 0 HA PRO A 46 -3.066 8.270 4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.356 9.001 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.217 7.532 6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.611 7.708 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.390 6.265 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.592 8.066 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.341 6.344 5.829 1.00 0.00 H new ATOM 994 N VAL A 47 -2.616 10.704 5.187 1.00 0.00 N ATOM 995 CA VAL A 47 -2.265 12.070 5.062 1.00 0.00 C ATOM 996 C VAL A 47 -2.393 12.642 6.413 1.00 0.00 C ATOM 997 O VAL A 47 -3.492 12.830 6.924 1.00 0.00 O ATOM 998 CB VAL A 47 -3.103 12.875 4.057 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.443 14.188 3.818 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.237 12.161 2.750 1.00 0.00 C ATOM 0 H VAL A 47 -3.607 10.513 5.338 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.254 12.130 4.658 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.099 13.008 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.031 14.766 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.371 14.735 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.443 14.025 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.836 12.763 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.248 12.000 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.724 11.199 2.909 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.251 9.989 -5.065 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.673 10.011 -5.317 1.00 0.00 C ATOM 1353 C ILE B 2 -4.400 10.102 -3.977 1.00 0.00 C ATOM 1354 O ILE B 2 -4.374 9.155 -3.179 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.144 8.755 -6.113 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.361 8.651 -7.436 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.651 8.830 -6.387 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -3.686 7.421 -8.265 1.00 0.00 C ATOM 0 HA ILE B 2 -3.908 10.878 -5.934 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.949 7.864 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.563 9.540 -8.034 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.294 8.652 -7.213 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -5.964 7.946 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.191 8.874 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.870 9.723 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.090 7.429 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.457 6.524 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -4.745 7.426 -8.523 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.981 11.250 -3.715 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.669 11.501 -2.467 1.00 0.00 C ATOM 1372 C HIS B 3 -7.098 11.013 -2.535 1.00 0.00 C ATOM 1373 O HIS B 3 -7.879 11.428 -3.396 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.603 12.985 -2.058 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.258 13.445 -1.534 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -4.073 13.994 -0.283 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -3.035 13.462 -2.122 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.792 14.312 -0.153 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -2.108 14.011 -1.239 1.00 0.00 N ATOM 0 H HIS B 3 -4.991 12.039 -4.362 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.153 10.936 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.868 13.596 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.357 13.169 -1.293 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -4.797 14.132 0.422 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -2.815 13.106 -3.118 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -2.363 14.761 0.731 1.00 0.00 H new ATOM 1387 N SER B 4 -7.414 10.138 -1.645 1.00 0.00 N ATOM 1388 CA SER B 4 -8.698 9.500 -1.567 1.00 0.00 C ATOM 1389 C SER B 4 -9.423 9.982 -0.324 1.00 0.00 C ATOM 1390 O SER B 4 -9.170 11.085 0.170 1.00 0.00 O ATOM 1391 CB SER B 4 -8.418 8.029 -1.420 1.00 0.00 C ATOM 1392 OG SER B 4 -7.607 7.829 -0.302 1.00 0.00 O ATOM 0 H SER B 4 -6.766 9.830 -0.920 1.00 0.00 H new ATOM 0 HA SER B 4 -9.310 9.719 -2.442 1.00 0.00 H new ATOM 0 HB2 SER B 4 -9.352 7.477 -1.311 1.00 0.00 H new ATOM 0 HB3 SER B 4 -7.926 7.648 -2.315 1.00 0.00 H new ATOM 0 HG SER B 4 -8.162 7.805 0.505 1.00 0.00 H new ATOM 1398 N SER B 5 -10.321 9.171 0.161 1.00 0.00 N ATOM 1399 CA SER B 5 -11.009 9.393 1.385 1.00 0.00 C ATOM 1400 C SER B 5 -11.480 8.049 1.903 1.00 0.00 C ATOM 1401 O SER B 5 -11.975 7.220 1.129 1.00 0.00 O ATOM 1402 CB SER B 5 -12.194 10.340 1.206 1.00 0.00 C ATOM 1403 OG SER B 5 -11.782 11.600 0.691 1.00 0.00 O ATOM 0 H SER B 5 -10.598 8.309 -0.308 1.00 0.00 H new ATOM 0 HA SER B 5 -10.334 9.867 2.098 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.922 9.890 0.530 1.00 0.00 H new ATOM 0 HB3 SER B 5 -12.694 10.483 2.164 1.00 0.00 H new ATOM 0 HG SER B 5 -10.807 11.609 0.590 1.00 0.00 H new ATOM 1409 N VAL B 6 -11.283 7.812 3.166 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.722 6.579 3.774 1.00 0.00 C ATOM 1411 C VAL B 6 -13.130 6.757 4.222 1.00 0.00 C ATOM 1412 O VAL B 6 -13.414 7.598 5.066 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.868 6.187 4.992 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.289 4.828 5.529 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.420 6.180 4.623 1.00 0.00 C ATOM 0 H VAL B 6 -10.818 8.458 3.804 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.626 5.785 3.033 1.00 0.00 H new ATOM 0 HB VAL B 6 -11.025 6.925 5.778 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.672 4.570 6.390 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.336 4.864 5.830 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.161 4.074 4.752 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.824 5.901 5.492 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.252 5.460 3.822 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -9.126 7.174 4.285 1.00 0.00 H new ATOM 1425 N LYS B 7 -14.003 6.013 3.669 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.371 6.117 4.012 1.00 0.00 C ATOM 1427 C LYS B 7 -15.773 4.823 4.699 1.00 0.00 C ATOM 1428 O LYS B 7 -15.024 3.859 4.664 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.169 6.345 2.744 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.828 7.620 1.979 1.00 0.00 C ATOM 1431 CD LYS B 7 -16.336 8.839 2.707 1.00 0.00 C ATOM 1432 CE LYS B 7 -16.142 10.103 1.891 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.897 11.240 2.461 1.00 0.00 N ATOM 0 H LYS B 7 -13.793 5.309 2.961 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.561 6.951 4.687 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -16.019 5.492 2.082 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.228 6.367 3.000 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.748 7.693 1.850 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.266 7.578 0.982 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -17.394 8.712 2.934 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.815 8.937 3.659 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.082 10.353 1.852 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -16.466 9.928 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.576 12.126 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -17.912 11.110 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.735 11.285 3.487 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.902 4.790 5.333 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.317 3.585 6.000 1.00 0.00 C ATOM 1449 C ARG B 8 -18.366 2.868 5.171 1.00 0.00 C ATOM 1450 O ARG B 8 -19.385 3.453 4.814 1.00 0.00 O ATOM 1451 CB ARG B 8 -17.854 3.871 7.401 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.253 2.609 8.146 1.00 0.00 C ATOM 1453 CD ARG B 8 -18.757 2.905 9.534 1.00 0.00 C ATOM 1454 NE ARG B 8 -17.685 3.327 10.444 1.00 0.00 N ATOM 1455 CZ ARG B 8 -17.724 4.404 11.239 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.761 5.234 11.194 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -16.721 4.644 12.081 1.00 0.00 N ATOM 0 H ARG B 8 -17.552 5.573 5.406 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.442 2.944 6.108 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.095 4.402 7.975 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.717 4.532 7.327 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.027 2.086 7.584 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.396 1.939 8.208 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -19.514 3.687 9.483 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.243 2.017 9.938 1.00 0.00 H new ATOM 0 HE ARG B 8 -16.842 2.753 10.473 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.532 5.052 10.552 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.786 6.053 11.802 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -15.924 4.008 12.120 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -16.749 5.464 12.687 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.106 1.631 4.862 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.010 0.805 4.090 1.00 0.00 C ATOM 1473 C TRP B 9 -19.474 -0.302 4.996 1.00 0.00 C ATOM 1474 O TRP B 9 -18.709 -1.242 5.304 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.267 0.271 2.865 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.041 -0.554 1.882 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.378 -0.551 1.657 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.490 -1.490 0.929 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.673 -1.393 0.632 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.564 -1.991 0.194 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.201 -1.954 0.623 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.419 -2.912 -0.803 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.066 -2.877 -0.377 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.186 -3.346 -1.073 1.00 0.00 C ATOM 0 H TRP B 9 -17.249 1.153 5.140 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.875 1.361 3.729 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.848 1.123 2.330 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.428 -0.328 3.218 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.100 0.033 2.209 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.607 -1.546 0.252 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.339 -1.592 1.163 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.273 -3.277 -1.355 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.084 -3.248 -0.632 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -18.048 -4.081 -1.852 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.670 -0.141 5.509 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.202 -1.072 6.445 1.00 0.00 C ATOM 1497 C GLY B 10 -20.480 -0.910 7.742 1.00 0.00 C ATOM 1498 O GLY B 10 -20.448 0.192 8.295 1.00 0.00 O ATOM 0 H GLY B 10 -21.290 0.637 5.284 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.270 -0.902 6.583 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.087 -2.090 6.073 1.00 0.00 H new ATOM 1502 N ASN B 11 -19.862 -1.952 8.201 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.081 -1.881 9.428 1.00 0.00 C ATOM 1504 C ASN B 11 -17.579 -1.805 9.145 1.00 0.00 C ATOM 1505 O ASN B 11 -16.774 -2.072 10.039 1.00 0.00 O ATOM 1506 CB ASN B 11 -19.357 -3.090 10.357 1.00 0.00 C ATOM 1507 CG ASN B 11 -19.082 -4.449 9.717 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -17.943 -4.929 9.681 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -20.121 -5.108 9.277 1.00 0.00 N ATOM 0 H ASN B 11 -19.874 -2.869 7.755 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.395 -0.966 9.930 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -18.744 -2.992 11.253 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -20.398 -3.057 10.678 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -20.005 -6.045 8.891 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -21.048 -4.686 9.320 1.00 0.00 H new ATOM 1516 N SER B 12 -17.169 -1.399 7.950 1.00 0.00 N ATOM 1517 CA SER B 12 -15.782 -1.427 7.674 1.00 0.00 C ATOM 1518 C SER B 12 -15.345 -0.215 6.894 1.00 0.00 C ATOM 1519 O SER B 12 -16.061 0.236 5.998 1.00 0.00 O ATOM 1520 CB SER B 12 -15.437 -2.699 6.918 1.00 0.00 C ATOM 1521 OG SER B 12 -16.230 -2.813 5.736 1.00 0.00 O ATOM 0 H SER B 12 -17.769 -1.062 7.197 1.00 0.00 H new ATOM 0 HA SER B 12 -15.246 -1.412 8.623 1.00 0.00 H new ATOM 0 HB2 SER B 12 -14.380 -2.696 6.654 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.603 -3.565 7.558 1.00 0.00 H new ATOM 0 HG SER B 12 -16.916 -2.113 5.733 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.226 0.367 7.282 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.583 1.421 6.521 1.00 0.00 C ATOM 1529 C PRO B 13 -13.229 0.910 5.129 1.00 0.00 C ATOM 1530 O PRO B 13 -12.544 -0.108 4.980 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.296 1.733 7.290 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.361 0.981 8.576 1.00 0.00 C ATOM 1533 CD PRO B 13 -13.533 0.051 8.524 1.00 0.00 C ATOM 0 HA PRO B 13 -14.224 2.295 6.405 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.421 1.435 6.713 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.207 2.804 7.474 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.440 0.421 8.734 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.462 1.671 9.414 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.209 -0.990 8.539 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.186 0.194 9.385 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.712 1.573 4.135 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.479 1.178 2.798 1.00 0.00 C ATOM 1543 C ALA B 14 -12.991 2.352 2.002 1.00 0.00 C ATOM 1544 O ALA B 14 -13.526 3.470 2.106 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.730 0.577 2.189 1.00 0.00 C ATOM 0 H ALA B 14 -14.284 2.412 4.233 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.709 0.407 2.782 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.527 0.280 1.160 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.032 -0.297 2.766 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.532 1.315 2.202 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.963 2.124 1.261 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.392 3.137 0.430 1.00 0.00 C ATOM 1553 C VAL B 15 -11.808 2.857 -0.998 1.00 0.00 C ATOM 1554 O VAL B 15 -11.859 1.695 -1.407 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.833 3.147 0.531 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -9.223 4.265 -0.313 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.390 3.280 1.978 1.00 0.00 C ATOM 0 H VAL B 15 -11.488 1.223 1.211 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.748 4.114 0.757 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.474 2.196 0.138 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -8.137 4.241 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.499 4.124 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.597 5.228 0.034 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.301 3.285 2.026 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.776 4.211 2.392 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.775 2.439 2.555 1.00 0.00 H new ATOM 1567 N ARG B 16 -12.153 3.892 -1.723 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.498 3.762 -3.114 1.00 0.00 C ATOM 1569 C ARG B 16 -11.232 3.775 -3.951 1.00 0.00 C ATOM 1570 O ARG B 16 -10.579 4.818 -4.100 1.00 0.00 O ATOM 1571 CB ARG B 16 -13.436 4.881 -3.536 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.774 4.794 -2.871 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.688 5.905 -3.263 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.172 5.789 -4.642 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.814 6.755 -5.306 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -17.047 7.917 -4.723 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -17.260 6.542 -6.533 1.00 0.00 N ATOM 0 H ARG B 16 -12.202 4.846 -1.365 1.00 0.00 H new ATOM 0 HA ARG B 16 -13.016 2.815 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.979 5.842 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.569 4.849 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -15.239 3.841 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.638 4.806 -1.790 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -16.541 5.923 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -15.167 6.855 -3.145 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.007 4.908 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -16.737 8.078 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -17.537 8.653 -5.231 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -17.115 5.636 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -17.749 7.284 -7.034 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.866 2.626 -4.447 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.666 2.464 -5.233 1.00 0.00 C ATOM 1593 C ILE B 17 -9.979 2.739 -6.696 1.00 0.00 C ATOM 1594 O ILE B 17 -11.028 2.321 -7.197 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.007 1.022 -5.052 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.221 0.879 -3.745 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.127 0.610 -6.197 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.052 0.740 -2.526 1.00 0.00 C ATOM 0 H ILE B 17 -11.396 1.764 -4.318 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.930 3.184 -4.875 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.866 0.351 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.570 0.008 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.576 1.750 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.716 -0.380 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.713 0.585 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.313 1.326 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.405 0.645 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.685 1.621 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.678 -0.148 -2.612 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.132 3.520 -7.382 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.293 3.773 -8.801 1.00 0.00 C ATOM 1612 C PRO B 18 -9.197 2.474 -9.605 1.00 0.00 C ATOM 1613 O PRO B 18 -8.192 1.738 -9.521 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.129 4.714 -9.154 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.165 4.596 -8.022 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.979 4.243 -6.816 1.00 0.00 C ATOM 0 HA PRO B 18 -10.267 4.203 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.664 4.427 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.475 5.741 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.418 3.829 -8.225 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.628 5.532 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.417 3.621 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.292 5.132 -6.268 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.228 2.202 -10.381 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.323 1.008 -11.206 1.00 0.00 C ATOM 1626 C ALA B 19 -9.174 0.944 -12.198 1.00 0.00 C ATOM 1627 O ALA B 19 -8.758 -0.133 -12.607 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.657 0.972 -11.927 1.00 0.00 C ATOM 0 H ALA B 19 -11.040 2.815 -10.459 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.256 0.135 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.715 0.073 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.466 0.965 -11.196 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.751 1.852 -12.563 1.00 0.00 H new ATOM 1634 N THR B 20 -8.636 2.106 -12.535 1.00 0.00 N ATOM 1635 CA THR B 20 -7.492 2.231 -13.409 1.00 0.00 C ATOM 1636 C THR B 20 -6.287 1.408 -12.869 1.00 0.00 C ATOM 1637 O THR B 20 -5.549 0.792 -13.635 1.00 0.00 O ATOM 1638 CB THR B 20 -7.094 3.710 -13.493 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.284 4.499 -13.687 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.143 3.950 -14.652 1.00 0.00 C ATOM 0 H THR B 20 -8.992 3.001 -12.200 1.00 0.00 H new ATOM 0 HA THR B 20 -7.758 1.848 -14.394 1.00 0.00 H new ATOM 0 HB THR B 20 -6.591 3.993 -12.569 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.043 5.447 -13.741 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.876 5.006 -14.690 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.242 3.352 -14.513 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.628 3.664 -15.586 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.144 1.371 -11.546 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.040 0.663 -10.892 1.00 0.00 C ATOM 1650 C LEU B 21 -5.325 -0.791 -10.794 1.00 0.00 C ATOM 1651 O LEU B 21 -4.430 -1.619 -10.893 1.00 0.00 O ATOM 1652 CB LEU B 21 -4.758 1.244 -9.518 1.00 0.00 C ATOM 1653 CG LEU B 21 -3.855 2.464 -9.476 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.424 2.064 -9.789 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.311 3.535 -10.451 1.00 0.00 C ATOM 0 H LEU B 21 -6.785 1.828 -10.898 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.150 0.796 -11.507 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.710 1.507 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.309 0.465 -8.903 1.00 0.00 H new ATOM 0 HG LEU B 21 -3.909 2.879 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.784 2.946 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.080 1.338 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.380 1.620 -10.784 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.639 4.391 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.298 3.134 -11.464 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.324 3.850 -10.198 1.00 0.00 H new ATOM 1667 N MET B 22 -6.570 -1.089 -10.599 1.00 0.00 N ATOM 1668 CA MET B 22 -7.065 -2.472 -10.613 1.00 0.00 C ATOM 1669 C MET B 22 -6.677 -3.126 -11.920 1.00 0.00 C ATOM 1670 O MET B 22 -6.114 -4.220 -11.952 1.00 0.00 O ATOM 1671 CB MET B 22 -8.578 -2.484 -10.461 1.00 0.00 C ATOM 1672 CG MET B 22 -9.084 -2.018 -9.114 1.00 0.00 C ATOM 1673 SD MET B 22 -8.823 -3.217 -7.819 1.00 0.00 S ATOM 1674 CE MET B 22 -9.848 -4.542 -8.450 1.00 0.00 C ATOM 0 H MET B 22 -7.294 -0.392 -10.423 1.00 0.00 H new ATOM 0 HA MET B 22 -6.623 -3.023 -9.783 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.012 -1.851 -11.235 1.00 0.00 H new ATOM 0 HB3 MET B 22 -8.939 -3.497 -10.638 1.00 0.00 H new ATOM 0 HG2 MET B 22 -8.584 -1.087 -8.846 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.149 -1.798 -9.188 1.00 0.00 H new ATOM 0 HE1 MET B 22 -9.954 -5.314 -7.688 1.00 0.00 H new ATOM 0 HE2 MET B 22 -10.832 -4.150 -8.708 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.384 -4.970 -9.338 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.960 -2.416 -12.977 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.586 -2.804 -14.322 1.00 0.00 C ATOM 1686 C GLN B 23 -5.076 -2.884 -14.453 1.00 0.00 C ATOM 1687 O GLN B 23 -4.544 -3.796 -15.072 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.067 -1.756 -15.291 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.552 -1.573 -15.332 1.00 0.00 C ATOM 1690 CD GLN B 23 -8.949 -0.401 -16.198 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.204 0.586 -16.318 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.095 -0.475 -16.794 1.00 0.00 N ATOM 0 H GLN B 23 -7.467 -1.532 -12.934 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.031 -3.776 -14.534 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.605 -0.803 -15.033 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.720 -2.019 -16.290 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.020 -2.481 -15.713 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.928 -1.421 -14.320 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.681 -1.301 -16.672 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.413 0.293 -17.385 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.393 -1.939 -13.828 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.942 -1.815 -13.984 1.00 0.00 C ATOM 1703 C ALA B 24 -2.206 -2.987 -13.364 1.00 0.00 C ATOM 1704 O ALA B 24 -1.228 -3.482 -13.909 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.436 -0.498 -13.411 1.00 0.00 C ATOM 0 H ALA B 24 -4.813 -1.246 -13.209 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.734 -1.824 -15.054 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.356 -0.435 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.913 0.332 -13.931 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.676 -0.447 -12.349 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.695 -3.439 -12.252 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.079 -4.533 -11.541 1.00 0.00 C ATOM 1713 C LEU B 25 -2.715 -5.869 -11.909 1.00 0.00 C ATOM 1714 O LEU B 25 -2.260 -6.939 -11.484 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.139 -4.251 -10.066 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.319 -3.041 -9.635 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -1.698 -2.636 -8.254 1.00 0.00 C ATOM 1718 CD2 LEU B 25 0.170 -3.353 -9.694 1.00 0.00 C ATOM 0 H LEU B 25 -3.532 -3.065 -11.805 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.032 -4.615 -11.834 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.179 -4.094 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.787 -5.128 -9.524 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.528 -2.220 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.107 -1.771 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.757 -2.379 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.508 -3.461 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.738 -2.476 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.394 -4.186 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.446 -3.620 -10.714 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.742 -5.782 -12.740 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.480 -6.923 -13.287 1.00 0.00 C ATOM 1732 C ASN B 26 -5.199 -7.749 -12.238 1.00 0.00 C ATOM 1733 O ASN B 26 -4.983 -8.973 -12.112 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.628 -7.811 -14.210 1.00 0.00 C ATOM 1735 CG ASN B 26 -3.205 -7.111 -15.482 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -3.910 -7.147 -16.482 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -2.055 -6.489 -15.470 1.00 0.00 N ATOM 0 H ASN B 26 -4.102 -4.885 -13.067 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.254 -6.468 -13.904 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.740 -8.139 -13.670 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.194 -8.707 -14.466 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -1.722 -6.016 -16.310 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -1.490 -6.477 -14.621 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.014 -7.090 -11.462 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.863 -7.727 -10.545 1.00 0.00 C ATOM 1746 C LEU B 27 -8.280 -7.282 -10.814 1.00 0.00 C ATOM 1747 O LEU B 27 -8.504 -6.224 -11.417 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.485 -7.454 -9.107 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.469 -6.017 -8.629 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -6.809 -6.009 -7.171 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.098 -5.411 -8.820 1.00 0.00 C ATOM 0 H LEU B 27 -6.094 -6.073 -11.464 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.766 -8.804 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.175 -8.008 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.492 -7.871 -8.939 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.190 -5.433 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.804 -4.983 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -7.799 -6.442 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.072 -6.596 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.105 -4.378 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.365 -5.982 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.834 -5.435 -9.877 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.231 -8.060 -10.390 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.623 -7.755 -10.657 1.00 0.00 C ATOM 1765 C ASN B 28 -11.388 -7.720 -9.362 1.00 0.00 C ATOM 1766 O ASN B 28 -10.803 -7.892 -8.285 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.273 -8.794 -11.612 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.675 -8.865 -13.025 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.089 -7.788 -13.505 1.00 0.00 O flip ATOM 1770 ND2 ASN B 28 -10.737 -9.912 -13.674 1.00 0.00 N flip ATOM 0 H ASN B 28 -9.077 -8.915 -9.856 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.661 -6.782 -11.146 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.194 -9.780 -11.154 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.335 -8.566 -11.698 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -11.197 -10.731 -13.277 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.328 -9.958 -14.607 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.674 -7.469 -9.446 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.521 -7.498 -8.280 1.00 0.00 C ATOM 1779 C ILE B 29 -13.684 -8.951 -7.834 1.00 0.00 C ATOM 1780 O ILE B 29 -13.706 -9.868 -8.674 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.912 -6.824 -8.560 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -14.742 -5.330 -8.890 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.890 -6.994 -7.400 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.105 -4.508 -7.795 1.00 0.00 C ATOM 0 H ILE B 29 -13.157 -7.241 -10.315 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.056 -6.922 -7.480 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.336 -7.337 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.137 -5.238 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -15.721 -4.909 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.835 -6.509 -7.647 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.062 -8.055 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.472 -6.539 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.027 -3.470 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.718 -4.563 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.110 -4.897 -7.580 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.736 -9.140 -6.524 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.848 -10.438 -5.859 1.00 0.00 C ATOM 1798 C ASP B 30 -12.534 -11.155 -5.806 1.00 0.00 C ATOM 1799 O ASP B 30 -12.480 -12.346 -5.516 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.963 -11.340 -6.417 1.00 0.00 C ATOM 1801 CG ASP B 30 -16.334 -10.875 -6.037 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -16.772 -11.154 -4.917 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -17.024 -10.248 -6.866 1.00 0.00 O ATOM 0 H ASP B 30 -13.700 -8.363 -5.864 1.00 0.00 H new ATOM 0 HA ASP B 30 -14.148 -10.206 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -14.885 -11.375 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.816 -12.357 -6.054 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.456 -10.430 -6.042 1.00 0.00 N ATOM 1809 CA ASP B 31 -10.151 -11.014 -5.937 1.00 0.00 C ATOM 1810 C ASP B 31 -9.657 -10.707 -4.532 1.00 0.00 C ATOM 1811 O ASP B 31 -10.230 -9.847 -3.830 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.178 -10.445 -6.995 1.00 0.00 C ATOM 1813 CG ASP B 31 -8.021 -11.400 -7.332 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.613 -12.219 -6.478 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.555 -11.404 -8.507 1.00 0.00 O ATOM 0 H ASP B 31 -11.467 -9.445 -6.305 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.199 -12.087 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.733 -10.222 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.768 -9.502 -6.632 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.633 -11.346 -4.145 1.00 0.00 N ATOM 1821 CA GLU B 32 -8.115 -11.270 -2.824 1.00 0.00 C ATOM 1822 C GLU B 32 -6.779 -10.521 -2.824 1.00 0.00 C ATOM 1823 O GLU B 32 -5.963 -10.707 -3.730 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.973 -12.702 -2.307 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.291 -12.817 -0.984 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.199 -14.231 -0.501 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -6.268 -14.936 -0.900 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -8.029 -14.653 0.318 1.00 0.00 O ATOM 0 H GLU B 32 -8.101 -11.966 -4.756 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.783 -10.713 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.965 -13.147 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.417 -13.286 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.288 -12.397 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.831 -12.221 -0.249 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.573 -9.627 -1.846 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.299 -8.901 -1.771 1.00 0.00 C ATOM 1837 C VAL B 33 -4.726 -8.970 -0.363 1.00 0.00 C ATOM 1838 O VAL B 33 -5.471 -9.184 0.600 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.384 -7.391 -2.236 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.283 -7.238 -3.418 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.812 -6.435 -1.134 1.00 0.00 C ATOM 0 H VAL B 33 -7.249 -9.395 -1.118 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.637 -9.404 -2.476 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.366 -7.117 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.320 -6.189 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.900 -7.835 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.286 -7.578 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.848 -5.419 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.800 -6.718 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.096 -6.482 -0.314 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.420 -8.819 -0.241 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.795 -8.770 1.061 1.00 0.00 C ATOM 1853 C LYS B 34 -2.573 -7.339 1.489 1.00 0.00 C ATOM 1854 O LYS B 34 -2.043 -6.524 0.728 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.421 -9.436 1.100 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.347 -10.883 0.693 1.00 0.00 C ATOM 1857 CD LYS B 34 0.013 -11.535 1.066 1.00 0.00 C ATOM 1858 CE LYS B 34 1.259 -10.844 0.458 1.00 0.00 C ATOM 1859 NZ LYS B 34 1.606 -9.535 1.096 1.00 0.00 N ATOM 0 H LYS B 34 -2.776 -8.729 -1.027 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.480 -9.303 1.721 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.752 -8.868 0.453 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -1.032 -9.350 2.115 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -2.155 -11.434 1.174 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.502 -10.963 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.112 -11.538 2.152 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.000 -12.576 0.744 1.00 0.00 H new ATOM 0 HE2 LYS B 34 2.113 -11.516 0.546 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.088 -10.683 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.594 -9.294 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 0.978 -8.792 0.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.487 -9.609 2.127 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.980 -7.047 2.678 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.655 -5.799 3.313 1.00 0.00 C ATOM 1875 C ILE B 35 -1.581 -6.116 4.344 1.00 0.00 C ATOM 1876 O ILE B 35 -1.838 -6.852 5.311 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.871 -5.095 4.047 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.027 -4.717 3.094 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.408 -3.853 4.801 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.873 -5.873 2.638 1.00 0.00 C ATOM 0 H ILE B 35 -3.553 -7.669 3.248 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.337 -5.099 2.540 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.258 -5.833 4.749 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.668 -3.991 3.594 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.609 -4.223 2.217 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.261 -3.389 5.296 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.666 -4.136 5.547 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.966 -3.145 4.100 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.657 -5.510 1.974 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.250 -6.592 2.106 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.326 -6.356 3.504 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.393 -5.653 4.108 1.00 0.00 N ATOM 1893 CA ASP B 36 0.697 -5.855 5.035 1.00 0.00 C ATOM 1894 C ASP B 36 1.170 -4.549 5.588 1.00 0.00 C ATOM 1895 O ASP B 36 1.345 -3.578 4.856 1.00 0.00 O ATOM 1896 CB ASP B 36 1.879 -6.630 4.417 1.00 0.00 C ATOM 1897 CG ASP B 36 1.808 -8.125 4.644 1.00 0.00 C ATOM 1898 OD1 ASP B 36 1.956 -8.565 5.815 1.00 0.00 O ATOM 1899 OD2 ASP B 36 1.648 -8.897 3.661 1.00 0.00 O ATOM 0 H ASP B 36 -0.143 -5.125 3.272 1.00 0.00 H new ATOM 0 HA ASP B 36 0.302 -6.470 5.844 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.910 -6.435 3.345 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.811 -6.251 4.837 1.00 0.00 H new ATOM 1904 N LEU B 37 1.330 -4.495 6.874 1.00 0.00 N ATOM 1905 CA LEU B 37 1.801 -3.365 7.507 1.00 0.00 C ATOM 1906 C LEU B 37 3.290 -3.551 7.663 1.00 0.00 C ATOM 1907 O LEU B 37 3.758 -4.555 8.220 1.00 0.00 O ATOM 1908 CB LEU B 37 1.092 -3.241 8.847 1.00 0.00 C ATOM 1909 CG LEU B 37 1.218 -1.930 9.613 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.595 -1.748 10.167 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.823 -0.770 8.738 1.00 0.00 C ATOM 0 H LEU B 37 1.123 -5.271 7.503 1.00 0.00 H new ATOM 0 HA LEU B 37 1.611 -2.449 6.949 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.031 -3.428 8.680 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.459 -4.039 9.492 1.00 0.00 H new ATOM 0 HG LEU B 37 0.534 -1.968 10.461 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.648 -0.803 10.707 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.825 -2.568 10.848 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.318 -1.741 9.351 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.919 0.159 9.300 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.475 -0.734 7.865 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.211 -0.894 8.415 1.00 0.00 H new ATOM 1923 N VAL B 38 4.008 -2.601 7.189 1.00 0.00 N ATOM 1924 CA VAL B 38 5.471 -2.653 7.169 1.00 0.00 C ATOM 1925 C VAL B 38 6.051 -1.274 7.471 1.00 0.00 C ATOM 1926 O VAL B 38 5.939 -0.372 6.646 1.00 0.00 O ATOM 1927 CB VAL B 38 6.047 -3.127 5.781 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.572 -3.223 5.828 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.456 -4.460 5.330 1.00 0.00 C ATOM 0 H VAL B 38 3.619 -1.745 6.794 1.00 0.00 H new ATOM 0 HA VAL B 38 5.759 -3.378 7.930 1.00 0.00 H new ATOM 0 HB VAL B 38 5.756 -2.373 5.050 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.946 -3.552 4.858 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.991 -2.245 6.066 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.868 -3.940 6.593 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.886 -4.742 4.369 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.685 -5.228 6.069 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.375 -4.363 5.230 1.00 0.00 H new ATOM 1939 N ASP B 39 6.609 -1.102 8.670 1.00 0.00 N ATOM 1940 CA ASP B 39 7.298 0.157 9.088 1.00 0.00 C ATOM 1941 C ASP B 39 6.296 1.322 9.145 1.00 0.00 C ATOM 1942 O ASP B 39 6.625 2.491 8.945 1.00 0.00 O ATOM 1943 CB ASP B 39 8.496 0.464 8.138 1.00 0.00 C ATOM 1944 CG ASP B 39 9.407 1.596 8.611 1.00 0.00 C ATOM 1945 OD1 ASP B 39 10.160 1.398 9.603 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.452 2.659 7.972 1.00 0.00 O ATOM 0 H ASP B 39 6.605 -1.822 9.392 1.00 0.00 H new ATOM 0 HA ASP B 39 7.704 0.025 10.091 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.093 -0.441 8.022 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.106 0.717 7.152 1.00 0.00 H new ATOM 1951 N GLY B 40 5.072 0.981 9.463 1.00 0.00 N ATOM 1952 CA GLY B 40 4.002 1.959 9.550 1.00 0.00 C ATOM 1953 C GLY B 40 3.449 2.336 8.189 1.00 0.00 C ATOM 1954 O GLY B 40 2.704 3.307 8.057 1.00 0.00 O ATOM 0 H GLY B 40 4.784 0.024 9.669 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.198 1.559 10.168 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.372 2.855 10.049 1.00 0.00 H new ATOM 1958 N LYS B 41 3.832 1.591 7.184 1.00 0.00 N ATOM 1959 CA LYS B 41 3.379 1.824 5.844 1.00 0.00 C ATOM 1960 C LYS B 41 2.373 0.745 5.493 1.00 0.00 C ATOM 1961 O LYS B 41 2.540 -0.420 5.905 1.00 0.00 O ATOM 1962 CB LYS B 41 4.567 1.714 4.884 1.00 0.00 C ATOM 1963 CG LYS B 41 4.353 2.357 3.524 1.00 0.00 C ATOM 1964 CD LYS B 41 4.419 3.869 3.619 1.00 0.00 C ATOM 1965 CE LYS B 41 5.847 4.365 3.855 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.898 5.821 4.097 1.00 0.00 N ATOM 0 H LYS B 41 4.471 0.802 7.277 1.00 0.00 H new ATOM 0 HA LYS B 41 2.931 2.814 5.764 1.00 0.00 H new ATOM 0 HB2 LYS B 41 5.438 2.172 5.353 1.00 0.00 H new ATOM 0 HB3 LYS B 41 4.801 0.659 4.738 1.00 0.00 H new ATOM 0 HG2 LYS B 41 5.110 2.000 2.826 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.384 2.056 3.124 1.00 0.00 H new ATOM 0 HD2 LYS B 41 4.030 4.308 2.700 1.00 0.00 H new ATOM 0 HD3 LYS B 41 3.778 4.210 4.432 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.275 3.841 4.709 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.463 4.120 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.806 6.198 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.119 6.285 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 5.805 6.007 5.116 1.00 0.00 H new ATOM 1980 N LEU B 42 1.344 1.108 4.769 1.00 0.00 N ATOM 1981 CA LEU B 42 0.384 0.146 4.305 1.00 0.00 C ATOM 1982 C LEU B 42 0.784 -0.349 2.966 1.00 0.00 C ATOM 1983 O LEU B 42 0.692 0.358 1.954 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.030 0.697 4.294 1.00 0.00 C ATOM 1985 CG LEU B 42 -1.675 0.821 5.656 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -2.938 1.659 5.572 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.015 -0.559 6.211 1.00 0.00 C ATOM 0 H LEU B 42 1.152 2.070 4.488 1.00 0.00 H new ATOM 0 HA LEU B 42 0.376 -0.689 5.006 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.018 1.680 3.823 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.651 0.053 3.671 1.00 0.00 H new ATOM 0 HG LEU B 42 -0.967 1.311 6.324 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.389 1.738 6.561 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.690 2.655 5.206 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -3.643 1.187 4.888 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.479 -0.453 7.192 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.707 -1.063 5.536 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.103 -1.149 6.303 1.00 0.00 H new ATOM 1999 N ILE B 43 1.270 -1.524 2.974 1.00 0.00 N ATOM 2000 CA ILE B 43 1.744 -2.165 1.795 1.00 0.00 C ATOM 2001 C ILE B 43 0.677 -3.081 1.297 1.00 0.00 C ATOM 2002 O ILE B 43 0.369 -4.115 1.903 1.00 0.00 O ATOM 2003 CB ILE B 43 3.022 -2.978 2.063 1.00 0.00 C ATOM 2004 CG1 ILE B 43 4.083 -2.113 2.743 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.564 -3.600 0.774 1.00 0.00 C ATOM 2006 CD1 ILE B 43 4.584 -0.945 1.917 1.00 0.00 C ATOM 0 H ILE B 43 1.356 -2.091 3.817 1.00 0.00 H new ATOM 0 HA ILE B 43 1.984 -1.400 1.056 1.00 0.00 H new ATOM 0 HB ILE B 43 2.765 -3.793 2.740 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.673 -1.729 3.677 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.932 -2.745 3.004 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.467 -4.168 0.996 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.813 -4.265 0.347 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.798 -2.811 0.060 1.00 0.00 H new ATOM 0 HD11 ILE B 43 5.333 -0.393 2.485 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.029 -1.317 0.994 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.750 -0.285 1.677 1.00 0.00 H new ATOM 2018 N ILE B 44 0.080 -2.679 0.259 1.00 0.00 N ATOM 2019 CA ILE B 44 -0.940 -3.455 -0.364 1.00 0.00 C ATOM 2020 C ILE B 44 -0.354 -4.159 -1.562 1.00 0.00 C ATOM 2021 O ILE B 44 0.251 -3.534 -2.453 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.243 -2.631 -0.736 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.109 -2.311 0.513 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.101 -3.373 -1.759 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -2.481 -1.414 1.558 1.00 0.00 C ATOM 0 H ILE B 44 0.276 -1.791 -0.203 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.287 -4.189 0.363 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.894 -1.694 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.035 -1.846 0.176 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.381 -3.253 0.990 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -3.985 -2.780 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.524 -3.535 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.407 -4.335 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.183 -1.265 2.379 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.571 -1.879 1.938 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.236 -0.451 1.111 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.494 -5.445 -1.561 1.00 0.00 N ATOM 2038 CA GLU B 45 0.015 -6.283 -2.607 1.00 0.00 C ATOM 2039 C GLU B 45 -1.124 -7.150 -3.038 1.00 0.00 C ATOM 2040 O GLU B 45 -1.973 -7.500 -2.208 1.00 0.00 O ATOM 2041 CB GLU B 45 1.166 -7.186 -2.101 1.00 0.00 C ATOM 2042 CG GLU B 45 2.405 -6.460 -1.603 1.00 0.00 C ATOM 2043 CD GLU B 45 3.495 -7.408 -1.174 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.333 -8.099 -0.165 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.530 -7.465 -1.833 1.00 0.00 O ATOM 0 H GLU B 45 -0.974 -5.956 -0.820 1.00 0.00 H new ATOM 0 HA GLU B 45 0.409 -5.672 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU B 45 0.784 -7.811 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.460 -7.855 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.783 -5.810 -2.392 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.134 -5.819 -0.764 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.203 -7.537 -4.291 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.258 -8.350 -4.722 1.00 0.00 C ATOM 2054 C PRO B 46 -1.885 -9.790 -4.494 1.00 0.00 C ATOM 2055 O PRO B 46 -0.726 -10.111 -4.183 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.376 -8.056 -6.218 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.168 -7.263 -6.571 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.250 -7.307 -5.369 1.00 0.00 C ATOM 0 HA PRO B 46 -3.194 -8.164 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.420 -8.979 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.287 -7.499 -6.437 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -0.675 -7.680 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -1.438 -6.235 -6.814 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.487 -8.106 -5.444 1.00 0.00 H new ATOM 0 HD3 PRO B 46 0.302 -6.376 -5.239 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.803 -10.639 -4.620 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.489 -12.019 -4.498 1.00 0.00 C ATOM 2068 C VAL B 47 -2.607 -12.566 -5.862 1.00 0.00 C ATOM 2069 O VAL B 47 -3.701 -12.640 -6.425 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.380 -12.814 -3.515 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.793 -14.174 -3.293 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.497 -12.124 -2.189 1.00 0.00 C ATOM 0 H VAL B 47 -3.782 -10.424 -4.807 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.491 -12.117 -4.071 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.373 -12.888 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.422 -14.733 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.738 -14.706 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.792 -14.074 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -4.131 -12.714 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.507 -12.018 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.938 -11.137 -2.330 1.00 0.00 H new