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 Set 1.1: B 5 SER OG : rot -160:sc= -2.48! USER MOD Set 1.2: B 7 LYS NZ :NH3+ 165:sc= 1.14 (180deg=1.02) USER MOD Single : A 3 HIS : no HE2:sc= 0.355 K(o=0.36,f=-6.4!) USER MOD Single : A 4 SER OG : rot 12:sc= 0.336 USER MOD Single : A 5 SER OG : rot -160:sc= -1.8! USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.1) USER MOD Single : A 11 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.47) USER MOD Single : A 12 SER OG : rot -16:sc= 1.97 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 22 MET CE :methyl -169:sc= -1.48 (180deg=-1.76!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 26 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 2.15 (180deg=1.82) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 1.3 (180deg=-0.826) USER MOD Single : B 3 HIS : no HE2:sc= 0.391 K(o=0.39,f=-6!) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.39) USER MOD Single : B 12 SER OG : rot -14:sc= 1.94 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : B 22 MET CE :methyl -172:sc= -1.53 (180deg=-1.8!) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 26 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : B 28 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 168:sc= 1.71 (180deg=1.56) USER MOD Single : B 41 LYS NZ :NH3+ -129:sc= 1.16 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.562 -9.983 6.082 1.00 0.00 N ATOM 280 CA ILE A 2 -3.977 -10.005 6.290 1.00 0.00 C ATOM 281 C ILE A 2 -4.637 -10.124 4.931 1.00 0.00 C ATOM 282 O ILE A 2 -4.574 -9.204 4.119 1.00 0.00 O ATOM 283 CB ILE A 2 -4.478 -8.728 7.026 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.765 -8.586 8.386 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.003 -8.775 7.217 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.136 -7.335 9.162 1.00 0.00 C ATOM 0 HA ILE A 2 -4.236 -10.851 6.926 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.240 -7.858 6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.996 -9.459 8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.688 -8.589 8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.333 -7.874 7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.490 -8.835 6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.269 -9.650 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.589 -7.316 10.105 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.879 -6.453 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.207 -7.336 9.364 1.00 0.00 H new ATOM 298 N HIS A 3 -5.215 -11.264 4.667 1.00 0.00 N ATOM 299 CA HIS A 3 -5.840 -11.501 3.385 1.00 0.00 C ATOM 300 C HIS A 3 -7.258 -11.002 3.380 1.00 0.00 C ATOM 301 O HIS A 3 -8.005 -11.189 4.342 1.00 0.00 O ATOM 302 CB HIS A 3 -5.767 -12.979 2.959 1.00 0.00 C ATOM 303 CG HIS A 3 -4.407 -13.421 2.477 1.00 0.00 C ATOM 304 ND1 HIS A 3 -4.196 -14.114 1.303 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.184 -13.281 3.042 1.00 0.00 C ATOM 306 CE1 HIS A 3 -2.898 -14.366 1.190 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.231 -13.882 2.224 1.00 0.00 N ATOM 0 H HIS A 3 -5.269 -12.046 5.319 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.274 -10.935 2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.061 -13.603 3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.494 -13.153 2.166 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -4.916 -14.387 0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.980 -12.782 3.978 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.447 -14.896 0.364 1.00 0.00 H new ATOM 315 N SER A 4 -7.594 -10.328 2.338 1.00 0.00 N ATOM 316 CA SER A 4 -8.896 -9.775 2.118 1.00 0.00 C ATOM 317 C SER A 4 -9.152 -9.748 0.634 1.00 0.00 C ATOM 318 O SER A 4 -8.430 -10.383 -0.105 1.00 0.00 O ATOM 319 CB SER A 4 -8.962 -8.378 2.710 1.00 0.00 C ATOM 320 OG SER A 4 -9.031 -8.433 4.121 1.00 0.00 O ATOM 0 H SER A 4 -6.943 -10.135 1.577 1.00 0.00 H new ATOM 0 HA SER A 4 -9.661 -10.381 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.084 -7.808 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.834 -7.853 2.319 1.00 0.00 H new ATOM 0 HG SER A 4 -8.829 -9.343 4.423 1.00 0.00 H new ATOM 326 N SER A 5 -10.133 -9.024 0.194 1.00 0.00 N ATOM 327 CA SER A 5 -10.455 -8.989 -1.193 1.00 0.00 C ATOM 328 C SER A 5 -11.051 -7.651 -1.556 1.00 0.00 C ATOM 329 O SER A 5 -11.486 -6.892 -0.672 1.00 0.00 O ATOM 330 CB SER A 5 -11.408 -10.143 -1.538 1.00 0.00 C ATOM 331 OG SER A 5 -12.488 -10.187 -0.626 1.00 0.00 O ATOM 0 H SER A 5 -10.729 -8.444 0.785 1.00 0.00 H new ATOM 0 HA SER A 5 -9.545 -9.117 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.787 -10.018 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.866 -11.089 -1.514 1.00 0.00 H new ATOM 0 HG SER A 5 -12.899 -11.076 -0.648 1.00 0.00 H new ATOM 337 N VAL A 6 -11.026 -7.344 -2.817 1.00 0.00 N ATOM 338 CA VAL A 6 -11.602 -6.124 -3.319 1.00 0.00 C ATOM 339 C VAL A 6 -13.031 -6.396 -3.653 1.00 0.00 C ATOM 340 O VAL A 6 -13.315 -7.287 -4.417 1.00 0.00 O ATOM 341 CB VAL A 6 -10.895 -5.656 -4.602 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.409 -4.303 -5.054 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.420 -5.622 -4.393 1.00 0.00 C ATOM 0 H VAL A 6 -10.604 -7.933 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.498 -5.348 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.119 -6.371 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.889 -4.001 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.479 -4.368 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.229 -3.566 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.930 -5.289 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.183 -4.932 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.066 -6.620 -4.134 1.00 0.00 H new ATOM 353 N LYS A 7 -13.912 -5.674 -3.089 1.00 0.00 N ATOM 354 CA LYS A 7 -15.300 -5.868 -3.370 1.00 0.00 C ATOM 355 C LYS A 7 -15.802 -4.649 -4.155 1.00 0.00 C ATOM 356 O LYS A 7 -15.042 -3.707 -4.378 1.00 0.00 O ATOM 357 CB LYS A 7 -16.069 -6.077 -2.068 1.00 0.00 C ATOM 358 CG LYS A 7 -15.627 -7.274 -1.226 1.00 0.00 C ATOM 359 CD LYS A 7 -15.917 -8.607 -1.901 1.00 0.00 C ATOM 360 CE LYS A 7 -15.606 -9.752 -0.949 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.948 -11.083 -1.496 1.00 0.00 N ATOM 0 H LYS A 7 -13.709 -4.931 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.458 -6.761 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.976 -5.175 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.126 -6.193 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.558 -7.198 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.134 -7.242 -0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.963 -8.650 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.318 -8.703 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.544 -9.731 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.152 -9.599 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.665 -11.820 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.974 -11.138 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.447 -11.228 -2.395 1.00 0.00 H new ATOM 375 N ARG A 8 -17.029 -4.661 -4.585 1.00 0.00 N ATOM 376 CA ARG A 8 -17.555 -3.566 -5.373 1.00 0.00 C ATOM 377 C ARG A 8 -18.517 -2.750 -4.542 1.00 0.00 C ATOM 378 O ARG A 8 -19.524 -3.269 -4.070 1.00 0.00 O ATOM 379 CB ARG A 8 -18.292 -4.092 -6.577 1.00 0.00 C ATOM 380 CG ARG A 8 -18.376 -3.098 -7.709 1.00 0.00 C ATOM 381 CD ARG A 8 -19.200 -3.651 -8.834 1.00 0.00 C ATOM 382 NE ARG A 8 -18.663 -4.913 -9.389 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.159 -5.067 -10.627 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.068 -4.033 -11.450 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.764 -6.267 -11.037 1.00 0.00 N ATOM 0 H ARG A 8 -17.692 -5.415 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.719 -2.946 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.795 -4.995 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.301 -4.379 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.816 -2.167 -7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.374 -2.860 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.217 -3.822 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.260 -2.909 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.676 -5.734 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.381 -3.111 -11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.685 -4.159 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.843 -7.070 -10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.382 -6.385 -11.975 1.00 0.00 H new ATOM 399 N TRP A 9 -18.218 -1.498 -4.360 1.00 0.00 N ATOM 400 CA TRP A 9 -19.067 -0.592 -3.618 1.00 0.00 C ATOM 401 C TRP A 9 -19.564 0.422 -4.610 1.00 0.00 C ATOM 402 O TRP A 9 -18.823 1.337 -5.002 1.00 0.00 O ATOM 403 CB TRP A 9 -18.245 0.062 -2.506 1.00 0.00 C ATOM 404 CG TRP A 9 -18.970 0.936 -1.526 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.302 0.998 -1.290 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.369 1.861 -0.602 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.550 1.872 -0.283 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.411 2.426 0.135 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.060 2.266 -0.319 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.212 3.361 1.113 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.866 3.196 0.656 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.947 3.738 1.360 1.00 0.00 C ATOM 0 H TRP A 9 -17.369 -1.065 -4.724 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.909 -1.097 -3.145 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.748 -0.730 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.463 0.660 -2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.054 0.436 -1.824 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.473 2.076 0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.223 1.851 -0.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.040 3.780 1.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.863 3.520 0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.759 4.479 2.122 1.00 0.00 H new ATOM 423 N GLY A 10 -20.764 0.203 -5.099 1.00 0.00 N ATOM 424 CA GLY A 10 -21.285 1.030 -6.136 1.00 0.00 C ATOM 425 C GLY A 10 -20.551 0.725 -7.402 1.00 0.00 C ATOM 426 O GLY A 10 -20.384 -0.452 -7.750 1.00 0.00 O ATOM 0 H GLY A 10 -21.388 -0.542 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.352 0.849 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.169 2.082 -5.875 1.00 0.00 H new ATOM 430 N ASN A 11 -20.067 1.731 -8.050 1.00 0.00 N ATOM 431 CA ASN A 11 -19.291 1.557 -9.260 1.00 0.00 C ATOM 432 C ASN A 11 -17.776 1.592 -8.928 1.00 0.00 C ATOM 433 O ASN A 11 -16.928 1.713 -9.823 1.00 0.00 O ATOM 434 CB ASN A 11 -19.685 2.675 -10.269 1.00 0.00 C ATOM 435 CG ASN A 11 -19.068 2.555 -11.662 1.00 0.00 C ATOM 436 OD1 ASN A 11 -18.011 3.122 -11.950 1.00 0.00 O ATOM 437 ND2 ASN A 11 -19.721 1.841 -12.539 1.00 0.00 N ATOM 0 H ASN A 11 -20.191 2.703 -7.766 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.502 0.588 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.770 2.681 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.399 3.638 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.359 1.742 -13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -20.593 1.382 -12.276 1.00 0.00 H new ATOM 444 N SER A 12 -17.408 1.394 -7.656 1.00 0.00 N ATOM 445 CA SER A 12 -16.044 1.532 -7.302 1.00 0.00 C ATOM 446 C SER A 12 -15.549 0.329 -6.535 1.00 0.00 C ATOM 447 O SER A 12 -16.233 -0.165 -5.639 1.00 0.00 O ATOM 448 CB SER A 12 -15.781 2.833 -6.521 1.00 0.00 C ATOM 449 OG SER A 12 -16.581 2.945 -5.328 1.00 0.00 O ATOM 0 H SER A 12 -18.038 1.145 -6.893 1.00 0.00 H new ATOM 0 HA SER A 12 -15.479 1.592 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.726 2.881 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.983 3.686 -7.169 1.00 0.00 H new ATOM 0 HG SER A 12 -17.319 2.301 -5.367 1.00 0.00 H new ATOM 455 N PRO A 13 -14.423 -0.216 -6.952 1.00 0.00 N ATOM 456 CA PRO A 13 -13.739 -1.258 -6.213 1.00 0.00 C ATOM 457 C PRO A 13 -13.319 -0.727 -4.842 1.00 0.00 C ATOM 458 O PRO A 13 -12.650 0.306 -4.743 1.00 0.00 O ATOM 459 CB PRO A 13 -12.494 -1.578 -7.045 1.00 0.00 C ATOM 460 CG PRO A 13 -12.581 -0.777 -8.302 1.00 0.00 C ATOM 461 CD PRO A 13 -13.761 0.135 -8.205 1.00 0.00 C ATOM 0 HA PRO A 13 -14.368 -2.134 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.588 -1.328 -6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.446 -2.643 -7.271 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.668 -0.200 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.682 -1.436 -9.164 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.451 1.180 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.431 0.001 -9.054 1.00 0.00 H new ATOM 469 N ALA A 14 -13.723 -1.394 -3.808 1.00 0.00 N ATOM 470 CA ALA A 14 -13.428 -0.962 -2.480 1.00 0.00 C ATOM 471 C ALA A 14 -12.988 -2.130 -1.628 1.00 0.00 C ATOM 472 O ALA A 14 -13.536 -3.235 -1.723 1.00 0.00 O ATOM 473 CB ALA A 14 -14.632 -0.260 -1.871 1.00 0.00 C ATOM 0 H ALA A 14 -14.268 -2.255 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.606 -0.248 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.391 0.063 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.892 0.608 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.477 -0.948 -1.841 1.00 0.00 H new ATOM 479 N VAL A 15 -11.982 -1.903 -0.835 1.00 0.00 N ATOM 480 CA VAL A 15 -11.464 -2.914 0.055 1.00 0.00 C ATOM 481 C VAL A 15 -11.922 -2.590 1.465 1.00 0.00 C ATOM 482 O VAL A 15 -11.958 -1.425 1.846 1.00 0.00 O ATOM 483 CB VAL A 15 -9.900 -2.976 0.016 1.00 0.00 C ATOM 484 CG1 VAL A 15 -9.355 -4.100 0.897 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.397 -3.129 -1.410 1.00 0.00 C ATOM 0 H VAL A 15 -11.492 -1.010 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.840 -3.886 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.531 -2.032 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.266 -4.110 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.665 -3.936 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.744 -5.057 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.308 -3.170 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.794 -4.049 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.728 -2.278 -2.006 1.00 0.00 H new ATOM 495 N ARG A 16 -12.304 -3.608 2.207 1.00 0.00 N ATOM 496 CA ARG A 16 -12.715 -3.443 3.585 1.00 0.00 C ATOM 497 C ARG A 16 -11.491 -3.428 4.493 1.00 0.00 C ATOM 498 O ARG A 16 -10.878 -4.472 4.732 1.00 0.00 O ATOM 499 CB ARG A 16 -13.659 -4.570 4.000 1.00 0.00 C ATOM 500 CG ARG A 16 -14.957 -4.551 3.253 1.00 0.00 C ATOM 501 CD ARG A 16 -15.881 -5.628 3.683 1.00 0.00 C ATOM 502 NE ARG A 16 -16.486 -5.337 4.979 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.070 -6.222 5.782 1.00 0.00 C ATOM 504 NH1 ARG A 16 -17.039 -7.537 5.498 1.00 0.00 N ATOM 505 NH2 ARG A 16 -17.677 -5.789 6.878 1.00 0.00 N ATOM 0 H ARG A 16 -12.338 -4.571 1.873 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.243 -2.494 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.166 -5.528 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.860 -4.493 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.440 -3.585 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.759 -4.653 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.665 -5.754 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.339 -6.572 3.739 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.458 -4.368 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.563 -7.866 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.491 -8.204 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.691 -4.792 7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.130 -6.453 7.506 1.00 0.00 H new ATOM 519 N ILE A 17 -11.124 -2.268 4.972 1.00 0.00 N ATOM 520 CA ILE A 17 -9.959 -2.129 5.819 1.00 0.00 C ATOM 521 C ILE A 17 -10.360 -2.376 7.273 1.00 0.00 C ATOM 522 O ILE A 17 -11.380 -1.853 7.733 1.00 0.00 O ATOM 523 CB ILE A 17 -9.232 -0.722 5.658 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.412 -0.612 4.363 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.348 -0.373 6.825 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.205 -0.374 3.130 1.00 0.00 C ATOM 0 H ILE A 17 -11.619 -1.395 4.790 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.231 -2.876 5.503 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.052 -0.005 5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.693 0.199 4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.839 -1.531 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.883 0.597 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.946 -0.331 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.574 -1.132 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.535 -0.312 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.906 -1.196 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.757 0.561 3.227 1.00 0.00 H new ATOM 538 N PRO A 18 -9.616 -3.237 7.996 1.00 0.00 N ATOM 539 CA PRO A 18 -9.888 -3.513 9.403 1.00 0.00 C ATOM 540 C PRO A 18 -9.801 -2.241 10.253 1.00 0.00 C ATOM 541 O PRO A 18 -8.822 -1.467 10.159 1.00 0.00 O ATOM 542 CB PRO A 18 -8.792 -4.514 9.817 1.00 0.00 C ATOM 543 CG PRO A 18 -7.764 -4.447 8.738 1.00 0.00 C ATOM 544 CD PRO A 18 -8.477 -4.021 7.490 1.00 0.00 C ATOM 0 HA PRO A 18 -10.895 -3.903 9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.364 -4.250 10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.196 -5.522 9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.978 -3.737 8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.285 -5.416 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.834 -3.423 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.808 -4.879 6.904 1.00 0.00 H new ATOM 552 N ALA A 19 -10.800 -2.046 11.091 1.00 0.00 N ATOM 553 CA ALA A 19 -10.905 -0.883 11.951 1.00 0.00 C ATOM 554 C ALA A 19 -9.751 -0.848 12.943 1.00 0.00 C ATOM 555 O ALA A 19 -9.310 0.223 13.363 1.00 0.00 O ATOM 556 CB ALA A 19 -12.246 -0.872 12.669 1.00 0.00 C ATOM 0 H ALA A 19 -11.574 -2.702 11.195 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.846 0.014 11.334 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.308 0.007 13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.051 -0.844 11.935 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.341 -1.772 13.277 1.00 0.00 H new ATOM 562 N THR A 20 -9.248 -2.026 13.287 1.00 0.00 N ATOM 563 CA THR A 20 -8.088 -2.176 14.136 1.00 0.00 C ATOM 564 C THR A 20 -6.885 -1.406 13.536 1.00 0.00 C ATOM 565 O THR A 20 -6.162 -0.715 14.243 1.00 0.00 O ATOM 566 CB THR A 20 -7.719 -3.668 14.239 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.901 -4.419 14.540 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.699 -3.896 15.338 1.00 0.00 C ATOM 0 H THR A 20 -9.645 -2.913 12.976 1.00 0.00 H new ATOM 0 HA THR A 20 -8.320 -1.776 15.123 1.00 0.00 H new ATOM 0 HB THR A 20 -7.290 -3.989 13.290 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.676 -5.371 14.606 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.454 -4.957 15.392 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.796 -3.325 15.121 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.113 -3.570 16.292 1.00 0.00 H new ATOM 576 N LEU A 21 -6.734 -1.487 12.218 1.00 0.00 N ATOM 577 CA LEU A 21 -5.622 -0.842 11.508 1.00 0.00 C ATOM 578 C LEU A 21 -5.832 0.622 11.405 1.00 0.00 C ATOM 579 O LEU A 21 -4.897 1.394 11.482 1.00 0.00 O ATOM 580 CB LEU A 21 -5.411 -1.452 10.134 1.00 0.00 C ATOM 581 CG LEU A 21 -4.536 -2.696 10.074 1.00 0.00 C ATOM 582 CD1 LEU A 21 -3.074 -2.325 10.288 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.955 -3.726 11.108 1.00 0.00 C ATOM 0 H LEU A 21 -7.373 -1.998 11.609 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.718 -1.016 12.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.387 -1.700 9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.971 -0.693 9.487 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.661 -3.136 9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.460 -3.224 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.757 -1.630 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.957 -1.855 11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.307 -4.600 11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.871 -3.295 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.988 -4.024 10.927 1.00 0.00 H new ATOM 595 N MET A 22 -7.062 0.989 11.234 1.00 0.00 N ATOM 596 CA MET A 22 -7.476 2.397 11.262 1.00 0.00 C ATOM 597 C MET A 22 -6.995 3.049 12.548 1.00 0.00 C ATOM 598 O MET A 22 -6.419 4.131 12.546 1.00 0.00 O ATOM 599 CB MET A 22 -8.988 2.491 11.169 1.00 0.00 C ATOM 600 CG MET A 22 -9.562 2.074 9.831 1.00 0.00 C ATOM 601 SD MET A 22 -9.268 3.275 8.548 1.00 0.00 S ATOM 602 CE MET A 22 -10.199 4.644 9.223 1.00 0.00 C ATOM 0 H MET A 22 -7.827 0.335 11.069 1.00 0.00 H new ATOM 0 HA MET A 22 -7.034 2.917 10.412 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.427 1.868 11.948 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.289 3.518 11.375 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.126 1.120 9.536 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.635 1.916 9.935 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.296 5.425 8.469 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.190 4.300 9.518 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.679 5.043 10.094 1.00 0.00 H new ATOM 612 N GLN A 23 -7.216 2.362 13.628 1.00 0.00 N ATOM 613 CA GLN A 23 -6.754 2.796 14.937 1.00 0.00 C ATOM 614 C GLN A 23 -5.243 2.660 15.072 1.00 0.00 C ATOM 615 O GLN A 23 -4.610 3.427 15.790 1.00 0.00 O ATOM 616 CB GLN A 23 -7.421 1.984 16.018 1.00 0.00 C ATOM 617 CG GLN A 23 -8.913 2.061 15.966 1.00 0.00 C ATOM 618 CD GLN A 23 -9.588 1.328 17.097 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.056 1.227 18.207 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.752 0.826 16.836 1.00 0.00 N ATOM 0 H GLN A 23 -7.724 1.477 13.639 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.017 3.848 15.044 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.112 0.943 15.926 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.078 2.333 16.992 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.217 3.108 15.988 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.258 1.649 15.018 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.156 0.932 15.905 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.265 0.325 17.561 1.00 0.00 H new ATOM 629 N ALA A 24 -4.672 1.709 14.360 1.00 0.00 N ATOM 630 CA ALA A 24 -3.236 1.434 14.469 1.00 0.00 C ATOM 631 C ALA A 24 -2.411 2.478 13.740 1.00 0.00 C ATOM 632 O ALA A 24 -1.266 2.739 14.093 1.00 0.00 O ATOM 633 CB ALA A 24 -2.906 0.048 13.940 1.00 0.00 C ATOM 0 H ALA A 24 -5.170 1.111 13.700 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.980 1.477 15.528 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.835 -0.131 14.032 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.450 -0.700 14.516 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.196 -0.020 12.892 1.00 0.00 H new ATOM 639 N LEU A 25 -2.995 3.053 12.720 1.00 0.00 N ATOM 640 CA LEU A 25 -2.340 4.071 11.921 1.00 0.00 C ATOM 641 C LEU A 25 -2.825 5.450 12.338 1.00 0.00 C ATOM 642 O LEU A 25 -2.282 6.473 11.933 1.00 0.00 O ATOM 643 CB LEU A 25 -2.659 3.822 10.469 1.00 0.00 C ATOM 644 CG LEU A 25 -2.246 2.459 9.945 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.762 2.271 8.558 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.744 2.315 9.967 1.00 0.00 C ATOM 0 H LEU A 25 -3.943 2.831 12.414 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.261 4.027 12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.733 3.940 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.169 4.589 9.869 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.674 1.692 10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.462 1.291 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.850 2.340 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.352 3.045 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.467 1.331 9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.295 3.085 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.383 2.424 10.990 1.00 0.00 H new ATOM 658 N ASN A 26 -3.862 5.426 13.151 1.00 0.00 N ATOM 659 CA ASN A 26 -4.529 6.593 13.716 1.00 0.00 C ATOM 660 C ASN A 26 -5.139 7.514 12.656 1.00 0.00 C ATOM 661 O ASN A 26 -4.632 8.614 12.361 1.00 0.00 O ATOM 662 CB ASN A 26 -3.671 7.351 14.755 1.00 0.00 C ATOM 663 CG ASN A 26 -4.453 8.434 15.503 1.00 0.00 C ATOM 664 OD1 ASN A 26 -5.115 8.154 16.512 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.363 9.661 15.053 1.00 0.00 N ATOM 0 H ASN A 26 -4.288 4.550 13.454 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.373 6.192 14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.269 6.638 15.475 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.820 7.808 14.251 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.846 10.418 15.536 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.810 9.859 14.219 1.00 0.00 H new ATOM 672 N LEU A 27 -6.149 6.991 12.008 1.00 0.00 N ATOM 673 CA LEU A 27 -6.964 7.700 11.110 1.00 0.00 C ATOM 674 C LEU A 27 -8.405 7.355 11.424 1.00 0.00 C ATOM 675 O LEU A 27 -8.668 6.387 12.149 1.00 0.00 O ATOM 676 CB LEU A 27 -6.663 7.353 9.667 1.00 0.00 C ATOM 677 CG LEU A 27 -6.861 5.922 9.214 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.133 5.931 7.748 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.626 5.102 9.472 1.00 0.00 C ATOM 0 H LEU A 27 -6.421 6.013 12.111 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.773 8.767 11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.283 7.990 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.625 7.623 9.470 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.691 5.483 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.279 4.909 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.032 6.515 7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.287 6.376 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.793 4.078 9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.785 5.529 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.404 5.104 10.539 1.00 0.00 H new ATOM 691 N ASN A 28 -9.321 8.128 10.932 1.00 0.00 N ATOM 692 CA ASN A 28 -10.748 7.884 11.107 1.00 0.00 C ATOM 693 C ASN A 28 -11.426 7.963 9.759 1.00 0.00 C ATOM 694 O ASN A 28 -10.756 8.132 8.730 1.00 0.00 O ATOM 695 CB ASN A 28 -11.420 8.899 12.069 1.00 0.00 C ATOM 696 CG ASN A 28 -11.240 8.647 13.576 1.00 0.00 C ATOM 697 OD1 ASN A 28 -10.130 8.089 13.991 1.00 0.00 O flip ATOM 698 ND2 ASN A 28 -12.131 8.964 14.367 1.00 0.00 N flip ATOM 0 H ASN A 28 -9.112 8.964 10.386 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.858 6.895 11.551 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.032 9.892 11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.488 8.917 11.852 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.988 9.398 14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.011 8.793 15.365 1.00 0.00 H new ATOM 705 N ILE A 29 -12.731 7.823 9.750 1.00 0.00 N ATOM 706 CA ILE A 29 -13.501 7.919 8.532 1.00 0.00 C ATOM 707 C ILE A 29 -13.445 9.344 7.970 1.00 0.00 C ATOM 708 O ILE A 29 -13.433 10.330 8.718 1.00 0.00 O ATOM 709 CB ILE A 29 -14.990 7.470 8.746 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.069 5.974 9.137 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.858 7.750 7.513 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.499 5.018 8.106 1.00 0.00 C ATOM 0 H ILE A 29 -13.288 7.640 10.585 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.054 7.238 7.808 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.386 8.065 9.569 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.539 5.830 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.112 5.714 9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.880 7.424 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.853 8.819 7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.459 7.207 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.598 3.994 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.044 5.127 7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.446 5.245 7.942 1.00 0.00 H new ATOM 724 N ASP A 30 -13.349 9.402 6.660 1.00 0.00 N ATOM 725 CA ASP A 30 -13.330 10.601 5.841 1.00 0.00 C ATOM 726 C ASP A 30 -12.006 11.326 5.958 1.00 0.00 C ATOM 727 O ASP A 30 -11.880 12.501 5.616 1.00 0.00 O ATOM 728 CB ASP A 30 -14.542 11.520 6.104 1.00 0.00 C ATOM 729 CG ASP A 30 -14.718 12.551 5.010 1.00 0.00 C ATOM 730 OD1 ASP A 30 -14.324 12.277 3.860 1.00 0.00 O ATOM 731 OD2 ASP A 30 -15.265 13.639 5.262 1.00 0.00 O ATOM 0 H ASP A 30 -13.277 8.555 6.097 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.427 10.283 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.446 10.915 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.413 12.025 7.061 1.00 0.00 H new ATOM 736 N ASP A 31 -10.989 10.620 6.396 1.00 0.00 N ATOM 737 CA ASP A 31 -9.702 11.214 6.440 1.00 0.00 C ATOM 738 C ASP A 31 -9.060 10.929 5.117 1.00 0.00 C ATOM 739 O ASP A 31 -9.316 9.872 4.499 1.00 0.00 O ATOM 740 CB ASP A 31 -8.845 10.699 7.589 1.00 0.00 C ATOM 741 CG ASP A 31 -7.702 11.657 7.927 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.496 12.664 7.207 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.044 11.468 8.972 1.00 0.00 O ATOM 0 H ASP A 31 -11.039 9.653 6.718 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.797 12.285 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.470 10.555 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.435 9.724 7.326 1.00 0.00 H new ATOM 748 N GLU A 32 -8.279 11.830 4.689 1.00 0.00 N ATOM 749 CA GLU A 32 -7.712 11.808 3.406 1.00 0.00 C ATOM 750 C GLU A 32 -6.431 10.979 3.406 1.00 0.00 C ATOM 751 O GLU A 32 -5.624 11.056 4.342 1.00 0.00 O ATOM 752 CB GLU A 32 -7.501 13.253 2.958 1.00 0.00 C ATOM 753 CG GLU A 32 -6.960 13.411 1.572 1.00 0.00 C ATOM 754 CD GLU A 32 -6.877 14.849 1.158 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.884 15.575 1.283 1.00 0.00 O ATOM 756 OE2 GLU A 32 -5.812 15.284 0.675 1.00 0.00 O ATOM 0 H GLU A 32 -8.003 12.640 5.245 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.375 11.325 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.453 13.781 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.819 13.738 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.969 12.961 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.595 12.869 0.872 1.00 0.00 H new ATOM 763 N VAL A 33 -6.276 10.150 2.391 1.00 0.00 N ATOM 764 CA VAL A 33 -5.126 9.285 2.284 1.00 0.00 C ATOM 765 C VAL A 33 -4.513 9.406 0.914 1.00 0.00 C ATOM 766 O VAL A 33 -5.180 9.848 -0.041 1.00 0.00 O ATOM 767 CB VAL A 33 -5.445 7.771 2.569 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.249 7.631 3.801 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.165 7.091 1.423 1.00 0.00 C ATOM 0 H VAL A 33 -6.942 10.060 1.624 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.429 9.617 3.054 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.481 7.277 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.459 6.577 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.694 8.040 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.187 8.174 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.357 6.049 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.111 7.598 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.546 7.135 0.527 1.00 0.00 H new ATOM 779 N LYS A 34 -3.265 9.053 0.814 1.00 0.00 N ATOM 780 CA LYS A 34 -2.601 9.014 -0.466 1.00 0.00 C ATOM 781 C LYS A 34 -2.493 7.598 -0.951 1.00 0.00 C ATOM 782 O LYS A 34 -2.124 6.696 -0.186 1.00 0.00 O ATOM 783 CB LYS A 34 -1.184 9.535 -0.411 1.00 0.00 C ATOM 784 CG LYS A 34 -0.989 10.993 -0.073 1.00 0.00 C ATOM 785 CD LYS A 34 0.475 11.364 -0.275 1.00 0.00 C ATOM 786 CE LYS A 34 1.380 10.575 0.661 1.00 0.00 C ATOM 787 NZ LYS A 34 2.777 10.562 0.211 1.00 0.00 N ATOM 0 H LYS A 34 -2.679 8.786 1.605 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.203 9.640 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.637 8.944 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.720 9.350 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.624 11.613 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.285 11.182 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.762 11.172 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.609 12.431 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.327 11.006 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.016 9.550 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.385 10.210 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.869 9.940 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.068 11.527 -0.046 1.00 0.00 H new ATOM 801 N ILE A 35 -2.816 7.399 -2.184 1.00 0.00 N ATOM 802 CA ILE A 35 -2.549 6.162 -2.827 1.00 0.00 C ATOM 803 C ILE A 35 -1.333 6.393 -3.720 1.00 0.00 C ATOM 804 O ILE A 35 -1.435 7.036 -4.780 1.00 0.00 O ATOM 805 CB ILE A 35 -3.754 5.608 -3.691 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.991 5.230 -2.833 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.323 4.404 -4.518 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.768 6.393 -2.257 1.00 0.00 C ATOM 0 H ILE A 35 -3.274 8.093 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.377 5.404 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.049 6.423 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.667 4.633 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.660 4.595 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.169 4.042 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.515 4.694 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.976 3.612 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.610 6.016 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.116 6.982 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.138 7.020 -3.068 1.00 0.00 H new ATOM 820 N ASP A 36 -0.182 5.977 -3.249 1.00 0.00 N ATOM 821 CA ASP A 36 1.038 6.087 -4.020 1.00 0.00 C ATOM 822 C ASP A 36 1.341 4.733 -4.624 1.00 0.00 C ATOM 823 O ASP A 36 1.189 3.706 -3.964 1.00 0.00 O ATOM 824 CB ASP A 36 2.250 6.607 -3.180 1.00 0.00 C ATOM 825 CG ASP A 36 2.273 8.111 -2.931 1.00 0.00 C ATOM 826 OD1 ASP A 36 2.256 8.883 -3.908 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.419 8.550 -1.748 1.00 0.00 O ATOM 0 H ASP A 36 -0.062 5.555 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 36 0.884 6.831 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.249 6.096 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.171 6.326 -3.690 1.00 0.00 H new ATOM 832 N LEU A 37 1.698 4.704 -5.872 1.00 0.00 N ATOM 833 CA LEU A 37 1.969 3.514 -6.533 1.00 0.00 C ATOM 834 C LEU A 37 3.466 3.340 -6.557 1.00 0.00 C ATOM 835 O LEU A 37 4.198 4.244 -6.948 1.00 0.00 O ATOM 836 CB LEU A 37 1.387 3.616 -7.943 1.00 0.00 C ATOM 837 CG LEU A 37 1.241 2.338 -8.759 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.578 1.790 -9.173 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.453 1.323 -7.979 1.00 0.00 C ATOM 0 H LEU A 37 1.804 5.537 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 37 1.523 2.650 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.401 4.074 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.013 4.304 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 37 0.699 2.574 -9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.434 0.879 -9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.101 2.528 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.170 1.565 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.352 0.411 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.971 1.098 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.536 1.723 -7.756 1.00 0.00 H new ATOM 851 N VAL A 38 3.892 2.197 -6.152 1.00 0.00 N ATOM 852 CA VAL A 38 5.314 1.855 -6.066 1.00 0.00 C ATOM 853 C VAL A 38 5.507 0.391 -6.432 1.00 0.00 C ATOM 854 O VAL A 38 4.911 -0.470 -5.815 1.00 0.00 O ATOM 855 CB VAL A 38 5.897 2.087 -4.623 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.352 1.664 -4.548 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.763 3.540 -4.179 1.00 0.00 C ATOM 0 H VAL A 38 3.271 1.442 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 38 5.845 2.507 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 38 5.309 1.468 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.729 1.835 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.436 0.605 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.938 2.247 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.178 3.654 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.305 4.184 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.710 3.822 -4.170 1.00 0.00 H new ATOM 867 N ASP A 39 6.278 0.137 -7.489 1.00 0.00 N ATOM 868 CA ASP A 39 6.683 -1.240 -7.953 1.00 0.00 C ATOM 869 C ASP A 39 5.498 -2.131 -8.270 1.00 0.00 C ATOM 870 O ASP A 39 5.629 -3.356 -8.306 1.00 0.00 O ATOM 871 CB ASP A 39 7.522 -1.989 -6.910 1.00 0.00 C ATOM 872 CG ASP A 39 8.813 -1.355 -6.540 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.687 -1.202 -7.407 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.011 -1.072 -5.337 1.00 0.00 O ATOM 0 H ASP A 39 6.659 0.880 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 39 7.266 -1.051 -8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.924 -2.105 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.726 -2.991 -7.288 1.00 0.00 H new ATOM 879 N GLY A 40 4.370 -1.548 -8.523 1.00 0.00 N ATOM 880 CA GLY A 40 3.209 -2.340 -8.815 1.00 0.00 C ATOM 881 C GLY A 40 2.424 -2.735 -7.572 1.00 0.00 C ATOM 882 O GLY A 40 1.569 -3.610 -7.635 1.00 0.00 O ATOM 0 H GLY A 40 4.224 -0.539 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.556 -1.782 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.516 -3.242 -9.345 1.00 0.00 H new ATOM 886 N LYS A 41 2.725 -2.143 -6.439 1.00 0.00 N ATOM 887 CA LYS A 41 1.904 -2.370 -5.275 1.00 0.00 C ATOM 888 C LYS A 41 1.323 -1.043 -4.805 1.00 0.00 C ATOM 889 O LYS A 41 1.892 0.034 -5.088 1.00 0.00 O ATOM 890 CB LYS A 41 2.618 -3.135 -4.115 1.00 0.00 C ATOM 891 CG LYS A 41 3.783 -2.418 -3.427 1.00 0.00 C ATOM 892 CD LYS A 41 5.162 -2.860 -3.923 1.00 0.00 C ATOM 893 CE LYS A 41 6.260 -2.104 -3.160 1.00 0.00 C ATOM 894 NZ LYS A 41 7.630 -2.571 -3.460 1.00 0.00 N ATOM 0 H LYS A 41 3.515 -1.514 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 41 1.101 -3.041 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.872 -3.375 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.988 -4.081 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.679 -1.344 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.721 -2.592 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.282 -3.934 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.252 -2.668 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.189 -1.043 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.079 -2.204 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.200 -2.556 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.592 -3.541 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.063 -1.945 -4.168 1.00 0.00 H new ATOM 908 N LEU A 42 0.199 -1.107 -4.134 1.00 0.00 N ATOM 909 CA LEU A 42 -0.481 0.075 -3.656 1.00 0.00 C ATOM 910 C LEU A 42 0.021 0.423 -2.306 1.00 0.00 C ATOM 911 O LEU A 42 -0.124 -0.334 -1.346 1.00 0.00 O ATOM 912 CB LEU A 42 -1.993 -0.122 -3.623 1.00 0.00 C ATOM 913 CG LEU A 42 -2.677 -0.306 -4.962 1.00 0.00 C ATOM 914 CD1 LEU A 42 -4.027 -0.980 -4.764 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.896 1.026 -5.687 1.00 0.00 C ATOM 0 H LEU A 42 -0.272 -1.982 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.272 0.892 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.211 -0.993 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.439 0.740 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.022 -0.926 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.514 -1.110 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.882 -1.954 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.653 -0.360 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.389 0.844 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.521 1.675 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.934 1.508 -5.862 1.00 0.00 H new ATOM 927 N ILE A 43 0.622 1.531 -2.245 1.00 0.00 N ATOM 928 CA ILE A 43 1.187 2.022 -1.031 1.00 0.00 C ATOM 929 C ILE A 43 0.276 3.084 -0.489 1.00 0.00 C ATOM 930 O ILE A 43 0.210 4.209 -1.001 1.00 0.00 O ATOM 931 CB ILE A 43 2.577 2.618 -1.263 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.459 1.645 -2.023 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.236 3.029 0.049 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.770 0.373 -1.286 1.00 0.00 C ATOM 0 H ILE A 43 0.748 2.151 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 43 1.291 1.196 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 43 2.453 3.517 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.972 1.393 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.396 2.143 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.221 3.448 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.619 3.777 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.339 2.156 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.405 -0.261 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.289 0.608 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.842 -0.153 -1.060 1.00 0.00 H new ATOM 946 N ILE A 44 -0.453 2.715 0.480 1.00 0.00 N ATOM 947 CA ILE A 44 -1.384 3.601 1.100 1.00 0.00 C ATOM 948 C ILE A 44 -0.802 4.135 2.394 1.00 0.00 C ATOM 949 O ILE A 44 -0.717 3.444 3.417 1.00 0.00 O ATOM 950 CB ILE A 44 -2.781 2.948 1.313 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.399 2.585 -0.052 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.714 3.869 2.106 1.00 0.00 C ATOM 953 CD1 ILE A 44 -4.775 1.952 0.028 1.00 0.00 C ATOM 0 H ILE A 44 -0.432 1.778 0.883 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.553 4.439 0.423 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.651 2.038 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.463 3.488 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.728 1.900 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.681 3.383 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.277 4.076 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.849 4.805 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.132 1.730 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.718 1.029 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.465 2.642 0.514 1.00 0.00 H new ATOM 965 N GLU A 45 -0.387 5.341 2.314 1.00 0.00 N ATOM 966 CA GLU A 45 0.213 6.065 3.393 1.00 0.00 C ATOM 967 C GLU A 45 -0.781 7.151 3.755 1.00 0.00 C ATOM 968 O GLU A 45 -1.370 7.770 2.847 1.00 0.00 O ATOM 969 CB GLU A 45 1.563 6.623 2.868 1.00 0.00 C ATOM 970 CG GLU A 45 2.329 7.611 3.728 1.00 0.00 C ATOM 971 CD GLU A 45 3.630 8.010 3.071 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.632 8.899 2.180 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.687 7.440 3.419 1.00 0.00 O ATOM 0 H GLU A 45 -0.455 5.888 1.455 1.00 0.00 H new ATOM 0 HA GLU A 45 0.427 5.471 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.219 5.774 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.371 7.101 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.718 8.497 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.531 7.168 4.703 1.00 0.00 H new ATOM 980 N PRO A 46 -1.046 7.400 5.043 1.00 0.00 N ATOM 981 CA PRO A 46 -2.033 8.343 5.409 1.00 0.00 C ATOM 982 C PRO A 46 -1.474 9.728 5.291 1.00 0.00 C ATOM 983 O PRO A 46 -0.255 9.915 5.145 1.00 0.00 O ATOM 984 CB PRO A 46 -2.381 7.999 6.862 1.00 0.00 C ATOM 985 CG PRO A 46 -1.488 6.868 7.226 1.00 0.00 C ATOM 986 CD PRO A 46 -0.371 6.874 6.227 1.00 0.00 C ATOM 0 HA PRO A 46 -2.916 8.309 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.218 8.854 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.430 7.718 6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.104 6.987 8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.029 5.922 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.458 7.507 6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.035 5.877 6.059 1.00 0.00 H new ATOM 994 N VAL A 47 -2.304 10.678 5.361 1.00 0.00 N ATOM 995 CA VAL A 47 -1.850 12.021 5.183 1.00 0.00 C ATOM 996 C VAL A 47 -1.743 12.653 6.523 1.00 0.00 C ATOM 997 O VAL A 47 -2.746 12.783 7.248 1.00 0.00 O ATOM 998 CB VAL A 47 -2.758 12.872 4.255 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.121 14.192 3.957 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.997 12.171 2.964 1.00 0.00 C ATOM 0 H VAL A 47 -3.303 10.572 5.539 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.882 11.982 4.683 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.703 13.024 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.774 14.772 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.960 14.737 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.164 14.030 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.636 12.785 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.045 11.998 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.486 11.215 3.154 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.269 10.045 -5.524 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.683 10.102 -5.731 1.00 0.00 C ATOM 1353 C ILE B 2 -4.337 10.217 -4.370 1.00 0.00 C ATOM 1354 O ILE B 2 -4.311 9.274 -3.577 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.214 8.843 -6.480 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.495 8.691 -7.837 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.735 8.939 -6.682 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -3.888 7.451 -8.620 1.00 0.00 C ATOM 0 HA ILE B 2 -3.923 10.961 -6.357 1.00 0.00 H new ATOM 0 HB ILE B 2 -4.005 7.961 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.703 9.571 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.419 8.671 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.089 8.052 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.227 9.008 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.969 9.826 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.336 7.424 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.653 6.562 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -4.958 7.476 -8.829 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.851 11.376 -4.074 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.475 11.612 -2.796 1.00 0.00 C ATOM 1372 C HIS B 3 -6.916 11.171 -2.817 1.00 0.00 C ATOM 1373 O HIS B 3 -7.653 11.427 -3.778 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.354 13.078 -2.345 1.00 0.00 C ATOM 1375 CG HIS B 3 -3.986 13.490 -1.860 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -3.776 14.196 -0.696 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -2.760 13.324 -2.416 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.471 14.432 -0.576 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -1.802 13.925 -1.600 1.00 0.00 N ATOM 0 H HIS B 3 -4.852 12.180 -4.702 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.937 11.012 -2.062 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.636 13.722 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.074 13.256 -1.546 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -4.498 14.488 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -2.558 12.808 -3.343 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -2.019 14.966 0.247 1.00 0.00 H new ATOM 1387 N SER B 4 -7.288 10.485 -1.796 1.00 0.00 N ATOM 1388 CA SER B 4 -8.609 9.952 -1.616 1.00 0.00 C ATOM 1389 C SER B 4 -8.951 9.986 -0.148 1.00 0.00 C ATOM 1390 O SER B 4 -8.266 10.632 0.614 1.00 0.00 O ATOM 1391 CB SER B 4 -8.633 8.531 -2.123 1.00 0.00 C ATOM 1392 OG SER B 4 -8.558 8.491 -3.539 1.00 0.00 O ATOM 0 H SER B 4 -6.659 10.265 -1.024 1.00 0.00 H new ATOM 0 HA SER B 4 -9.339 10.543 -2.169 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.798 7.975 -1.696 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.547 8.039 -1.790 1.00 0.00 H new ATOM 0 HG SER B 4 -8.574 7.559 -3.841 1.00 0.00 H new ATOM 1398 N SER B 5 -9.973 9.289 0.246 1.00 0.00 N ATOM 1399 CA SER B 5 -10.384 9.281 1.610 1.00 0.00 C ATOM 1400 C SER B 5 -11.014 7.953 1.967 1.00 0.00 C ATOM 1401 O SER B 5 -11.509 7.229 1.088 1.00 0.00 O ATOM 1402 CB SER B 5 -11.336 10.454 1.863 1.00 0.00 C ATOM 1403 OG SER B 5 -12.357 10.505 0.876 1.00 0.00 O ATOM 0 H SER B 5 -10.543 8.711 -0.372 1.00 0.00 H new ATOM 0 HA SER B 5 -9.514 9.405 2.255 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.785 10.355 2.851 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.775 11.389 1.860 1.00 0.00 H new ATOM 0 HG SER B 5 -12.749 11.403 0.857 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.946 7.612 3.222 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.546 6.394 3.718 1.00 0.00 C ATOM 1411 C VAL B 6 -12.981 6.679 4.031 1.00 0.00 C ATOM 1412 O VAL B 6 -13.271 7.559 4.808 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.854 5.911 5.009 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.421 4.580 5.471 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.377 5.812 4.798 1.00 0.00 C ATOM 0 H VAL B 6 -10.474 8.167 3.936 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.443 5.618 2.960 1.00 0.00 H new ATOM 0 HB VAL B 6 -11.047 6.643 5.793 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.914 4.265 6.383 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.488 4.688 5.668 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.269 3.831 4.694 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.900 5.470 5.717 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.171 5.103 3.996 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.982 6.791 4.527 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.865 5.970 3.441 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.253 6.195 3.686 1.00 0.00 C ATOM 1427 C LYS B 7 -15.798 4.992 4.467 1.00 0.00 C ATOM 1428 O LYS B 7 -15.061 4.036 4.711 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.989 6.410 2.364 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.497 7.576 1.509 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.722 8.928 2.165 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.342 10.044 1.202 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.549 11.393 1.755 1.00 0.00 N ATOM 0 H LYS B 7 -13.660 5.222 2.779 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.406 7.096 4.280 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.913 5.496 1.775 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.046 6.564 2.580 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.433 7.448 1.307 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.009 7.555 0.547 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.767 9.030 2.458 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.127 9.003 3.075 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.294 9.931 0.923 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.928 9.940 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.046 12.089 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.565 11.614 1.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.183 11.429 2.728 1.00 0.00 H new ATOM 1447 N ARG B 8 -17.039 5.020 4.862 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.578 3.934 5.662 1.00 0.00 C ATOM 1449 C ARG B 8 -18.557 3.117 4.841 1.00 0.00 C ATOM 1450 O ARG B 8 -19.568 3.639 4.362 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.284 4.467 6.905 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.475 3.423 7.989 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.273 3.961 9.165 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.752 5.243 9.687 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.326 5.453 10.943 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.057 4.427 11.745 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -18.107 6.694 11.361 1.00 0.00 N ATOM 0 H ARG B 8 -17.698 5.770 4.651 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.746 3.304 5.975 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.709 5.299 7.311 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.258 4.863 6.618 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -18.986 2.556 7.571 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.501 3.081 8.338 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.311 4.096 8.860 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.270 3.222 9.966 1.00 0.00 H new ATOM 0 HE ARG B 8 -18.713 6.031 9.041 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -18.174 3.472 11.407 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.734 4.595 12.698 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.262 7.480 10.729 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.783 6.862 12.314 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.265 1.862 4.678 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.112 0.963 3.932 1.00 0.00 C ATOM 1473 C TRP B 9 -19.659 -0.030 4.921 1.00 0.00 C ATOM 1474 O TRP B 9 -18.958 -0.978 5.328 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.279 0.276 2.847 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.006 -0.590 1.861 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.340 -0.640 1.621 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.412 -1.519 0.936 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.593 -1.504 0.611 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.457 -2.070 0.194 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.104 -1.935 0.657 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.264 -3.005 -0.786 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.917 -2.868 -0.320 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.004 -3.397 -1.029 1.00 0.00 C ATOM 0 H TRP B 9 -17.427 1.424 5.060 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.932 1.482 3.435 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.749 1.049 2.290 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.524 -0.336 3.340 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.089 -0.075 2.156 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.517 -1.695 0.224 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.265 -1.527 1.202 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.095 -3.412 -1.343 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.917 -3.204 -0.551 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.823 -4.140 -1.791 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.856 0.235 5.386 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.426 -0.566 6.411 1.00 0.00 C ATOM 1497 C GLY B 10 -20.738 -0.229 7.694 1.00 0.00 C ATOM 1498 O GLY B 10 -20.601 0.952 8.028 1.00 0.00 O ATOM 0 H GLY B 10 -21.445 1.003 5.063 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.497 -0.378 6.491 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.305 -1.624 6.180 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.282 -1.221 8.382 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.505 -1.019 9.589 1.00 0.00 C ATOM 1504 C ASN B 11 -17.972 -1.075 9.277 1.00 0.00 C ATOM 1505 O ASN B 11 -17.137 -1.050 10.186 1.00 0.00 O ATOM 1506 CB ASN B 11 -19.922 -2.092 10.637 1.00 0.00 C ATOM 1507 CG ASN B 11 -19.283 -1.929 12.019 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -18.240 -2.501 12.311 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -19.904 -1.158 12.876 1.00 0.00 N ATOM 0 H ASN B 11 -20.430 -2.200 8.136 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.706 -0.029 10.000 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -21.006 -2.067 10.749 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.665 -3.077 10.248 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -19.520 -1.023 13.811 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -20.771 -0.693 12.608 1.00 0.00 H new ATOM 1516 N SER B 12 -17.585 -1.061 7.989 1.00 0.00 N ATOM 1517 CA SER B 12 -16.213 -1.215 7.667 1.00 0.00 C ATOM 1518 C SER B 12 -15.681 -0.026 6.896 1.00 0.00 C ATOM 1519 O SER B 12 -16.326 0.452 5.957 1.00 0.00 O ATOM 1520 CB SER B 12 -15.948 -2.515 6.897 1.00 0.00 C ATOM 1521 OG SER B 12 -16.737 -2.628 5.702 1.00 0.00 O ATOM 0 H SER B 12 -18.211 -0.945 7.192 1.00 0.00 H new ATOM 0 HA SER B 12 -15.677 -1.271 8.614 1.00 0.00 H new ATOM 0 HB2 SER B 12 -14.891 -2.567 6.635 1.00 0.00 H new ATOM 0 HB3 SER B 12 -16.158 -3.365 7.546 1.00 0.00 H new ATOM 0 HG SER B 12 -17.454 -1.960 5.719 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.562 0.513 7.338 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.844 1.536 6.604 1.00 0.00 C ATOM 1529 C PRO B 13 -13.405 0.989 5.242 1.00 0.00 C ATOM 1530 O PRO B 13 -12.768 -0.069 5.160 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.610 1.843 7.460 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.729 1.041 8.716 1.00 0.00 C ATOM 1533 CD PRO B 13 -13.950 0.181 8.619 1.00 0.00 C ATOM 0 HA PRO B 13 -14.455 2.420 6.424 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.697 1.584 6.924 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.555 2.908 7.688 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.842 0.424 8.856 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.798 1.701 9.581 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.690 -0.876 8.667 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.635 0.378 9.444 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.763 1.675 4.196 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.442 1.239 2.872 1.00 0.00 C ATOM 1543 C ALA B 14 -12.985 2.407 2.029 1.00 0.00 C ATOM 1544 O ALA B 14 -13.519 3.517 2.131 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.640 0.548 2.241 1.00 0.00 C ATOM 0 H ALA B 14 -14.285 2.551 4.238 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.624 0.521 2.927 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.382 0.221 1.234 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.920 -0.317 2.843 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.478 1.244 2.194 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.980 2.172 1.235 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.443 3.178 0.347 1.00 0.00 C ATOM 1553 C VAL B 15 -11.898 2.860 -1.069 1.00 0.00 C ATOM 1554 O VAL B 15 -11.939 1.691 -1.451 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.877 3.196 0.398 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -9.297 4.276 -0.515 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.389 3.405 1.820 1.00 0.00 C ATOM 0 H VAL B 15 -11.503 1.272 1.181 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.804 4.158 0.659 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.530 2.227 0.041 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -8.209 4.259 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.605 4.087 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.663 5.253 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.299 3.414 1.833 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.764 4.356 2.197 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.752 2.595 2.452 1.00 0.00 H new ATOM 1567 N ARG B 16 -12.271 3.881 -1.813 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.667 3.719 -3.201 1.00 0.00 C ATOM 1569 C ARG B 16 -11.426 3.690 -4.081 1.00 0.00 C ATOM 1570 O ARG B 16 -10.787 4.728 -4.287 1.00 0.00 O ATOM 1571 CB ARG B 16 -13.578 4.864 -3.637 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.882 4.889 -2.905 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.776 5.989 -3.361 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.406 5.697 -4.651 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.990 6.601 -5.447 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.871 7.904 -5.186 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -17.681 6.199 -6.511 1.00 0.00 N ATOM 0 H ARG B 16 -12.309 4.843 -1.477 1.00 0.00 H new ATOM 0 HA ARG B 16 -13.214 2.782 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -13.062 5.811 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.770 4.780 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -15.389 3.934 -3.042 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.693 4.999 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -16.549 6.159 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -15.201 6.912 -3.441 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.399 4.728 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -16.333 8.215 -4.377 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -17.318 8.589 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -17.765 5.204 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.127 6.886 -7.119 1.00 0.00 H new ATOM 1591 N ILE B 17 -11.068 2.528 -4.565 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.891 2.374 -5.401 1.00 0.00 C ATOM 1593 C ILE B 17 -10.266 2.629 -6.860 1.00 0.00 C ATOM 1594 O ILE B 17 -11.282 2.124 -7.336 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.184 0.954 -5.235 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.371 0.834 -3.937 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.297 0.587 -6.395 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.175 0.628 -2.706 1.00 0.00 C ATOM 0 H ILE B 17 -11.578 1.661 -4.395 1.00 0.00 H new ATOM 0 HA ILE B 17 -9.159 3.112 -5.072 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.017 0.252 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.673 0.003 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.775 1.738 -3.815 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.849 -0.390 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.890 0.552 -7.309 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.510 1.333 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.510 0.556 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.854 1.469 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.751 -0.293 -2.798 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.491 3.473 -7.569 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.734 3.755 -8.977 1.00 0.00 C ATOM 1612 C PRO B 18 -9.640 2.483 -9.836 1.00 0.00 C ATOM 1613 O PRO B 18 -8.653 1.717 -9.750 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.622 4.752 -9.361 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.602 4.646 -8.276 1.00 0.00 C ATOM 1616 CD PRO B 18 -8.340 4.230 -7.041 1.00 0.00 C ATOM 0 HA PRO B 18 -10.736 4.150 -9.145 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -8.191 4.505 -10.331 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -9.013 5.767 -9.435 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.835 3.916 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -7.096 5.600 -8.124 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.719 3.615 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.660 5.091 -6.455 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.642 2.279 -10.674 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.731 1.116 -11.555 1.00 0.00 C ATOM 1626 C ALA B 19 -9.545 1.066 -12.513 1.00 0.00 C ATOM 1627 O ALA B 19 -9.113 -0.005 -12.940 1.00 0.00 O ATOM 1628 CB ALA B 19 -12.043 1.141 -12.324 1.00 0.00 C ATOM 0 H ALA B 19 -11.429 2.922 -10.767 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.703 0.215 -10.941 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.099 0.270 -12.977 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.877 1.122 -11.622 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.095 2.049 -12.925 1.00 0.00 H new ATOM 1634 N THR B 20 -9.011 2.234 -12.810 1.00 0.00 N ATOM 1635 CA THR B 20 -7.846 2.395 -13.649 1.00 0.00 C ATOM 1636 C THR B 20 -6.648 1.608 -13.062 1.00 0.00 C ATOM 1637 O THR B 20 -5.907 0.949 -13.791 1.00 0.00 O ATOM 1638 CB THR B 20 -7.499 3.891 -13.720 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.702 4.632 -13.976 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.491 4.167 -14.827 1.00 0.00 C ATOM 0 H THR B 20 -9.386 3.117 -12.465 1.00 0.00 H new ATOM 0 HA THR B 20 -8.056 2.009 -14.646 1.00 0.00 H new ATOM 0 HB THR B 20 -7.056 4.195 -12.772 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.494 5.588 -14.022 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.264 5.233 -14.855 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.577 3.606 -14.635 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.910 3.860 -15.785 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.523 1.631 -11.737 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.430 0.957 -11.032 1.00 0.00 C ATOM 1650 C LEU B 21 -5.673 -0.505 -10.949 1.00 0.00 C ATOM 1651 O LEU B 21 -4.753 -1.297 -11.015 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.234 1.540 -9.645 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.329 2.757 -9.544 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.877 2.348 -9.733 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.694 3.815 -10.571 1.00 0.00 C ATOM 0 H LEU B 21 -7.175 2.116 -11.120 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.517 1.121 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.212 1.808 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.830 0.759 -9.001 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.466 3.185 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.238 3.228 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.598 1.631 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.752 1.891 -10.715 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -4.025 4.669 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.597 3.398 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.722 4.138 -10.411 1.00 0.00 H new ATOM 1667 N MET B 22 -6.912 -0.846 -10.804 1.00 0.00 N ATOM 1668 CA MET B 22 -7.357 -2.246 -10.833 1.00 0.00 C ATOM 1669 C MET B 22 -6.879 -2.910 -12.107 1.00 0.00 C ATOM 1670 O MET B 22 -6.335 -4.015 -12.097 1.00 0.00 O ATOM 1671 CB MET B 22 -8.872 -2.311 -10.747 1.00 0.00 C ATOM 1672 CG MET B 22 -9.441 -1.873 -9.415 1.00 0.00 C ATOM 1673 SD MET B 22 -9.183 -3.072 -8.122 1.00 0.00 S ATOM 1674 CE MET B 22 -10.150 -4.422 -8.790 1.00 0.00 C ATOM 0 H MET B 22 -7.666 -0.175 -10.660 1.00 0.00 H new ATOM 0 HA MET B 22 -6.934 -2.773 -9.978 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.296 -1.686 -11.533 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.192 -3.334 -10.946 1.00 0.00 H new ATOM 0 HG2 MET B 22 -8.983 -0.928 -9.123 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.510 -1.689 -9.525 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.225 -5.218 -8.049 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.149 -4.065 -9.041 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.666 -4.807 -9.688 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.075 -2.221 -13.183 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.595 -2.645 -14.482 1.00 0.00 C ATOM 1686 C GLN B 23 -5.076 -2.606 -14.556 1.00 0.00 C ATOM 1687 O GLN B 23 -4.453 -3.474 -15.160 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.162 -1.748 -15.543 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.654 -1.816 -15.619 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.238 -0.874 -16.638 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.611 -0.549 -17.651 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.434 -0.439 -16.394 1.00 0.00 N ATOM 0 H GLN B 23 -7.578 -1.334 -13.198 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.920 -3.673 -14.641 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.859 -0.720 -15.344 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.740 -2.023 -16.510 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.953 -2.836 -15.862 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.072 -1.586 -14.639 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.920 -0.731 -15.546 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.890 0.195 -17.050 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.489 -1.630 -13.892 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.034 -1.409 -13.963 1.00 0.00 C ATOM 1703 C ALA B 24 -2.258 -2.487 -13.222 1.00 0.00 C ATOM 1704 O ALA B 24 -1.152 -2.872 -13.616 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.667 -0.033 -13.426 1.00 0.00 C ATOM 0 H ALA B 24 -4.986 -0.970 -13.294 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.754 -1.463 -15.015 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.588 0.106 -13.489 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.167 0.734 -14.018 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.983 0.048 -12.386 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.836 -2.959 -12.151 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.228 -3.987 -11.328 1.00 0.00 C ATOM 1713 C LEU B 25 -2.711 -5.353 -11.767 1.00 0.00 C ATOM 1714 O LEU B 25 -2.150 -6.386 -11.392 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.597 -3.737 -9.894 1.00 0.00 C ATOM 1716 CG LEU B 25 -2.184 -2.385 -9.353 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.733 -2.201 -7.979 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.681 -2.258 -9.335 1.00 0.00 C ATOM 0 H LEU B 25 -3.747 -2.644 -11.817 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.144 -3.957 -11.435 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.677 -3.839 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.143 -4.512 -9.277 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.586 -1.609 -10.005 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -2.433 -1.226 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.821 -2.259 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.347 -2.983 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.403 -1.280 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.258 -3.037 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.295 -2.366 -10.348 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.751 -5.315 -12.574 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.404 -6.469 -13.175 1.00 0.00 C ATOM 1732 C ASN B 26 -5.083 -7.358 -12.137 1.00 0.00 C ATOM 1733 O ASN B 26 -4.625 -8.463 -11.827 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.465 -7.265 -14.113 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.184 -8.326 -14.944 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -4.675 -8.041 -16.044 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -4.229 -9.541 -14.457 1.00 0.00 N ATOM 0 H ASN B 26 -4.189 -4.435 -12.845 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.198 -6.073 -13.808 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.962 -6.569 -14.785 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -2.692 -7.747 -13.515 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -4.679 -10.287 -14.988 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -3.814 -9.741 -13.547 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.102 -6.817 -11.526 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.937 -7.526 -10.647 1.00 0.00 C ATOM 1746 C LEU B 27 -8.376 -7.203 -10.985 1.00 0.00 C ATOM 1747 O LEU B 27 -8.637 -6.259 -11.744 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.660 -7.192 -9.199 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.844 -5.761 -8.741 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.123 -5.771 -7.279 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.602 -4.953 -8.992 1.00 0.00 C ATOM 0 H LEU B 27 -6.367 -5.839 -11.642 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.741 -8.591 -10.770 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.303 -7.822 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.631 -7.480 -8.983 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.668 -5.312 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.259 -4.748 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.029 -6.345 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.285 -6.227 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.760 -3.929 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.767 -5.391 -8.445 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.377 -4.953 -10.059 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.282 -7.983 -10.481 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.718 -7.781 -10.669 1.00 0.00 C ATOM 1765 C ASN B 28 -11.398 -7.764 -9.324 1.00 0.00 C ATOM 1766 O ASN B 28 -10.735 -7.854 -8.283 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.349 -8.897 -11.541 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.173 -8.737 -13.056 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.162 -8.038 -13.489 1.00 0.00 O flip ATOM 1770 ND2 ASN B 28 -11.994 -9.232 -13.835 1.00 0.00 N flip ATOM 0 H ASN B 28 -9.057 -8.800 -9.913 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.857 -6.830 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -10.918 -9.853 -11.243 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.415 -8.945 -11.321 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -12.777 -9.775 -13.473 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -11.888 -9.097 -14.841 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.696 -7.617 -9.331 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.471 -7.660 -8.116 1.00 0.00 C ATOM 1779 C ILE B 29 -13.468 -9.087 -7.545 1.00 0.00 C ATOM 1780 O ILE B 29 -13.464 -10.063 -8.300 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.938 -7.173 -8.361 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -14.973 -5.683 -8.772 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.830 -7.411 -7.140 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.401 -4.728 -7.741 1.00 0.00 C ATOM 0 H ILE B 29 -13.247 -7.464 -10.176 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.013 -6.984 -7.394 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.335 -7.767 -9.184 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.420 -5.564 -9.704 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.006 -5.400 -8.976 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.839 -7.059 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.858 -8.477 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.429 -6.867 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.467 -3.706 -8.115 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.967 -4.812 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.357 -4.978 -7.553 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.420 -9.163 -6.221 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.450 -10.389 -5.413 1.00 0.00 C ATOM 1798 C ASP B 30 -12.092 -11.083 -5.392 1.00 0.00 C ATOM 1799 O ASP B 30 -11.922 -12.154 -4.807 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.610 -11.336 -5.817 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.773 -12.516 -4.885 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.273 -12.325 -3.743 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.420 -13.645 -5.263 1.00 0.00 O ATOM 0 H ASP B 30 -13.355 -8.325 -5.643 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.660 -10.091 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.541 -10.769 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.435 -11.703 -6.828 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.092 -10.427 -5.941 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.793 -11.004 -5.980 1.00 0.00 C ATOM 1810 C ASP B 31 -9.152 -10.738 -4.654 1.00 0.00 C ATOM 1811 O ASP B 31 -9.330 -9.649 -4.067 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.952 -10.439 -7.127 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.757 -11.322 -7.462 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.683 -12.467 -6.965 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -6.912 -10.909 -8.283 1.00 0.00 O ATOM 0 H ASP B 31 -11.166 -9.500 -6.360 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.865 -12.076 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.578 -10.329 -8.012 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.600 -9.443 -6.859 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.467 -11.708 -4.172 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.901 -11.684 -2.877 1.00 0.00 C ATOM 1822 C GLU B 32 -6.607 -10.872 -2.887 1.00 0.00 C ATOM 1823 O GLU B 32 -5.791 -10.988 -3.812 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.715 -13.133 -2.375 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.175 -13.238 -0.968 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.109 -14.660 -0.449 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -8.166 -15.248 -0.125 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -6.004 -15.208 -0.320 1.00 0.00 O ATOM 0 H GLU B 32 -8.279 -12.569 -4.686 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.568 -11.186 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.675 -13.648 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.039 -13.656 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.176 -12.802 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.802 -12.645 -0.302 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.455 -10.015 -1.897 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.303 -9.151 -1.792 1.00 0.00 C ATOM 1837 C VAL B 33 -4.741 -9.240 -0.383 1.00 0.00 C ATOM 1838 O VAL B 33 -5.468 -9.607 0.563 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.627 -7.641 -2.139 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.493 -7.530 -3.362 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.283 -6.895 -0.991 1.00 0.00 C ATOM 0 H VAL B 33 -7.131 -9.900 -1.142 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.573 -9.494 -2.525 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.661 -7.174 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.695 -6.479 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.979 -7.977 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.434 -8.053 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.480 -5.866 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.222 -7.383 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.619 -6.900 -0.127 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.471 -8.962 -0.239 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.867 -8.934 1.066 1.00 0.00 C ATOM 1853 C LYS B 34 -2.716 -7.520 1.544 1.00 0.00 C ATOM 1854 O LYS B 34 -2.319 -6.630 0.780 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.477 -9.514 1.062 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.339 -10.976 0.708 1.00 0.00 C ATOM 1857 CD LYS B 34 0.105 -11.405 0.908 1.00 0.00 C ATOM 1858 CE LYS B 34 1.039 -10.626 -0.002 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.429 -10.700 0.438 1.00 0.00 N ATOM 0 H LYS B 34 -2.836 -8.752 -1.009 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.524 -9.519 1.709 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.873 -8.938 0.361 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -1.046 -9.364 2.052 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.999 -11.578 1.333 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.640 -11.142 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.393 -11.250 1.948 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.202 -12.472 0.706 1.00 0.00 H new ATOM 0 HE2 LYS B 34 0.960 -11.014 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.725 -9.583 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 3.050 -10.333 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.551 -10.130 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.677 -11.690 0.639 1.00 0.00 H new ATOM 1873 N ILE B 35 -3.029 -7.315 2.778 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.743 -6.086 3.424 1.00 0.00 C ATOM 1875 C ILE B 35 -1.553 -6.340 4.340 1.00 0.00 C ATOM 1876 O ILE B 35 -1.693 -6.963 5.407 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.955 -5.495 4.253 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.163 -5.100 3.360 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.517 -4.291 5.076 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.958 -6.255 2.789 1.00 0.00 C ATOM 0 H ILE B 35 -3.495 -8.003 3.369 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.531 -5.335 2.663 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.283 -6.294 4.917 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.836 -4.473 3.946 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.797 -4.490 2.534 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.368 -3.904 5.636 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.732 -4.591 5.770 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.137 -3.515 4.412 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.777 -5.868 2.182 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.308 -6.873 2.170 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.362 -6.856 3.603 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.385 -5.965 3.882 1.00 0.00 N ATOM 1893 CA ASP B 36 0.818 -6.098 4.681 1.00 0.00 C ATOM 1894 C ASP B 36 1.146 -4.751 5.281 1.00 0.00 C ATOM 1895 O ASP B 36 0.973 -3.713 4.630 1.00 0.00 O ATOM 1896 CB ASP B 36 2.029 -6.655 3.873 1.00 0.00 C ATOM 1897 CG ASP B 36 2.038 -8.166 3.674 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.176 -8.904 4.668 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.024 -8.639 2.502 1.00 0.00 O ATOM 0 H ASP B 36 -0.236 -5.563 2.956 1.00 0.00 H new ATOM 0 HA ASP B 36 0.626 -6.829 5.466 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.043 -6.176 2.894 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.948 -6.366 4.382 1.00 0.00 H new ATOM 1904 N LEU B 37 1.567 -4.734 6.513 1.00 0.00 N ATOM 1905 CA LEU B 37 1.853 -3.551 7.170 1.00 0.00 C ATOM 1906 C LEU B 37 3.359 -3.382 7.201 1.00 0.00 C ATOM 1907 O LEU B 37 4.101 -4.294 7.586 1.00 0.00 O ATOM 1908 CB LEU B 37 1.252 -3.633 8.573 1.00 0.00 C ATOM 1909 CG LEU B 37 1.089 -2.345 9.368 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.413 -1.767 9.762 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.268 -1.356 8.585 1.00 0.00 C ATOM 0 H LEU B 37 1.715 -5.573 7.075 1.00 0.00 H new ATOM 0 HA LEU B 37 1.425 -2.684 6.666 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.269 -4.096 8.486 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.872 -4.310 9.161 1.00 0.00 H new ATOM 0 HG LEU B 37 0.560 -2.579 10.292 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.255 -0.849 10.328 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.954 -2.485 10.379 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.995 -1.546 8.867 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.157 -0.438 9.162 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.768 -1.134 7.642 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.716 -1.779 8.383 1.00 0.00 H new ATOM 1923 N VAL B 38 3.785 -2.226 6.805 1.00 0.00 N ATOM 1924 CA VAL B 38 5.204 -1.876 6.733 1.00 0.00 C ATOM 1925 C VAL B 38 5.368 -0.401 7.080 1.00 0.00 C ATOM 1926 O VAL B 38 4.762 0.443 6.445 1.00 0.00 O ATOM 1927 CB VAL B 38 5.817 -2.119 5.298 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.277 -1.684 5.234 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.702 -3.579 4.864 1.00 0.00 C ATOM 0 H VAL B 38 3.162 -1.472 6.513 1.00 0.00 H new ATOM 0 HA VAL B 38 5.733 -2.517 7.438 1.00 0.00 H new ATOM 0 HB VAL B 38 5.233 -1.508 4.609 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.667 -1.865 4.232 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.350 -0.621 5.465 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.859 -2.254 5.959 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.136 -3.699 3.872 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.236 -4.212 5.573 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.652 -3.869 4.838 1.00 0.00 H new ATOM 1939 N ASP B 39 6.128 -0.122 8.129 1.00 0.00 N ATOM 1940 CA ASP B 39 6.503 1.259 8.591 1.00 0.00 C ATOM 1941 C ASP B 39 5.315 2.143 8.903 1.00 0.00 C ATOM 1942 O ASP B 39 5.453 3.377 8.969 1.00 0.00 O ATOM 1943 CB ASP B 39 7.353 2.022 7.567 1.00 0.00 C ATOM 1944 CG ASP B 39 8.667 1.416 7.235 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.343 0.871 8.128 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.077 1.534 6.060 1.00 0.00 O ATOM 0 H ASP B 39 6.526 -0.854 8.718 1.00 0.00 H new ATOM 0 HA ASP B 39 7.072 1.066 9.501 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.777 2.120 6.647 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.525 3.030 7.945 1.00 0.00 H new ATOM 1951 N GLY B 40 4.196 1.561 9.153 1.00 0.00 N ATOM 1952 CA GLY B 40 3.036 2.358 9.429 1.00 0.00 C ATOM 1953 C GLY B 40 2.284 2.773 8.172 1.00 0.00 C ATOM 1954 O GLY B 40 1.472 3.696 8.213 1.00 0.00 O ATOM 0 H GLY B 40 4.051 0.552 9.174 1.00 0.00 H new ATOM 0 HA2 GLY B 40 2.364 1.798 10.079 1.00 0.00 H new ATOM 0 HA3 GLY B 40 3.338 3.251 9.976 1.00 0.00 H new ATOM 1958 N LYS B 41 2.573 2.146 7.052 1.00 0.00 N ATOM 1959 CA LYS B 41 1.775 2.375 5.876 1.00 0.00 C ATOM 1960 C LYS B 41 1.205 1.060 5.391 1.00 0.00 C ATOM 1961 O LYS B 41 1.757 -0.021 5.689 1.00 0.00 O ATOM 1962 CB LYS B 41 2.500 3.142 4.728 1.00 0.00 C ATOM 1963 CG LYS B 41 3.706 2.462 4.082 1.00 0.00 C ATOM 1964 CD LYS B 41 5.033 2.956 4.639 1.00 0.00 C ATOM 1965 CE LYS B 41 6.209 2.361 3.857 1.00 0.00 C ATOM 1966 NZ LYS B 41 7.523 2.934 4.256 1.00 0.00 N ATOM 0 H LYS B 41 3.342 1.486 6.935 1.00 0.00 H new ATOM 0 HA LYS B 41 0.971 3.046 6.176 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.769 3.347 3.946 1.00 0.00 H new ATOM 0 HB3 LYS B 41 2.826 4.105 5.120 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.633 1.385 4.232 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.682 2.636 3.006 1.00 0.00 H new ATOM 0 HD2 LYS B 41 5.071 4.044 4.589 1.00 0.00 H new ATOM 0 HD3 LYS B 41 5.115 2.683 5.691 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.229 1.282 4.007 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.053 2.532 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 8.036 3.250 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 7.370 3.744 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 8.083 2.209 4.749 1.00 0.00 H new ATOM 1980 N LEU B 42 0.117 1.140 4.680 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.568 -0.016 4.183 1.00 0.00 C ATOM 1982 C LEU B 42 -0.033 -0.394 2.858 1.00 0.00 C ATOM 1983 O LEU B 42 -0.113 0.358 1.887 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.062 0.232 4.111 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.741 0.399 5.445 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.135 0.976 5.264 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.822 -0.927 6.185 1.00 0.00 C ATOM 0 H LEU B 42 -0.325 2.024 4.426 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.400 -0.843 4.873 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.239 1.127 3.515 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.529 -0.600 3.583 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.145 1.091 6.040 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.611 1.090 6.238 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.066 1.949 4.778 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.730 0.303 4.646 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.317 -0.778 7.145 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.391 -1.641 5.590 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.816 -1.313 6.351 1.00 0.00 H new ATOM 1999 N ILE B 43 0.531 -1.522 2.829 1.00 0.00 N ATOM 2000 CA ILE B 43 1.121 -2.038 1.638 1.00 0.00 C ATOM 2001 C ILE B 43 0.192 -3.072 1.076 1.00 0.00 C ATOM 2002 O ILE B 43 0.087 -4.198 1.584 1.00 0.00 O ATOM 2003 CB ILE B 43 2.484 -2.679 1.916 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.366 -1.748 2.737 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.183 -3.086 0.619 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.766 -0.466 2.052 1.00 0.00 C ATOM 0 H ILE B 43 0.608 -2.140 3.637 1.00 0.00 H new ATOM 0 HA ILE B 43 1.278 -1.220 0.935 1.00 0.00 H new ATOM 0 HB ILE B 43 2.310 -3.584 2.498 1.00 0.00 H new ATOM 0 HG12 ILE B 43 2.842 -1.499 3.660 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.270 -2.287 3.019 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.147 -3.538 0.852 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.565 -3.806 0.083 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.336 -2.205 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.392 0.124 2.721 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.323 -0.697 1.144 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.873 0.103 1.795 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.511 -2.678 0.095 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.456 -3.533 -0.550 1.00 0.00 C ATOM 2020 C ILE B 44 -0.859 -4.088 -1.826 1.00 0.00 C ATOM 2021 O ILE B 44 -0.704 -3.394 -2.840 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.823 -2.835 -0.804 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.471 -2.453 0.544 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.760 -3.728 -1.628 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.830 -1.791 0.423 1.00 0.00 C ATOM 0 H ILE B 44 -0.457 -1.739 -0.301 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.672 -4.361 0.125 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.647 -1.928 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.572 -3.352 1.152 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.800 -1.781 1.078 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.707 -3.212 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.299 -3.948 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.941 -4.659 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -5.211 -1.557 1.417 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.737 -0.872 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -5.521 -2.468 -0.080 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.497 -5.312 -1.739 1.00 0.00 N ATOM 2038 CA GLU B 45 0.105 -6.060 -2.804 1.00 0.00 C ATOM 2039 C GLU B 45 -0.916 -7.119 -3.189 1.00 0.00 C ATOM 2040 O GLU B 45 -1.533 -7.730 -2.291 1.00 0.00 O ATOM 2041 CB GLU B 45 1.417 -6.674 -2.238 1.00 0.00 C ATOM 2042 CG GLU B 45 2.141 -7.711 -3.075 1.00 0.00 C ATOM 2043 CD GLU B 45 3.386 -8.216 -2.381 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.282 -8.904 -1.351 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.498 -7.937 -2.849 1.00 0.00 O ATOM 0 H GLU B 45 -0.613 -5.857 -0.885 1.00 0.00 H new ATOM 0 HA GLU B 45 0.361 -5.472 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU B 45 2.112 -5.856 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.184 -7.127 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU B 45 1.472 -8.547 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.411 -7.278 -4.038 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.162 -7.364 -4.488 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.165 -8.286 -4.880 1.00 0.00 C ATOM 2054 C PRO B 46 -1.638 -9.687 -4.747 1.00 0.00 C ATOM 2055 O PRO B 46 -0.429 -9.902 -4.555 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.468 -7.940 -6.342 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.545 -6.828 -6.687 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.450 -6.855 -5.659 1.00 0.00 C ATOM 0 HA PRO B 46 -3.063 -8.227 -4.265 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.305 -8.801 -6.991 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.508 -7.639 -6.467 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.139 -6.956 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.067 -5.871 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.373 -7.506 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.027 -5.866 -5.484 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.479 -10.623 -4.848 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.036 -11.970 -4.672 1.00 0.00 C ATOM 2068 C VAL B 47 -1.934 -12.616 -6.009 1.00 0.00 C ATOM 2069 O VAL B 47 -2.932 -12.750 -6.733 1.00 0.00 O ATOM 2070 CB VAL B 47 -2.926 -12.817 -3.723 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.256 -14.117 -3.400 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.203 -12.090 -2.444 1.00 0.00 C ATOM 0 H VAL B 47 -3.472 -10.506 -5.049 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.063 -11.926 -4.182 1.00 0.00 H new ATOM 0 HB VAL B 47 -3.868 -13.001 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.893 -14.699 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.085 -14.677 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.301 -13.923 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.828 -12.710 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.263 -11.875 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.720 -11.155 -2.661 1.00 0.00 H new