USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 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 HD1:sc=-0.00318 X(o=-0.0032,f=-0.013) USER MOD Single : A 4 SER OG : rot 11:sc= 0.327 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0434 (180deg=-0.223) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 12 SER OG : rot 160:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc=0.000893 USER MOD Single : A 22 MET CE :methyl -160:sc= -1.22 (180deg=-1.53!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.685 K(o=0.68,f=-0.026) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.12) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.16) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 SER OG : rot 180:sc=-0.00729 USER MOD Single : B 5 SER OG : rot 180:sc= -0.0593 USER MOD Single : B 7 LYS NZ :NH3+ -170:sc= -0.0502 (180deg=-0.217) USER MOD Single : B 11 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.1) USER MOD Single : B 12 SER OG : rot 150:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : B 22 MET CE :methyl 177:sc= -2.24! (180deg=-2.26!) USER MOD Single : B 23 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.1) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN : amide:sc= 0.685 K(o=0.68,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.16) USER MOD Single : B 41 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.456 -9.748 5.713 1.00 0.00 N ATOM 280 CA ILE A 2 -3.846 -9.915 6.006 1.00 0.00 C ATOM 281 C ILE A 2 -4.568 -10.161 4.700 1.00 0.00 C ATOM 282 O ILE A 2 -4.633 -9.267 3.842 1.00 0.00 O ATOM 283 CB ILE A 2 -4.437 -8.649 6.694 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.672 -8.336 7.994 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.934 -8.832 6.976 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.137 -7.074 8.702 1.00 0.00 C ATOM 0 HA ILE A 2 -3.972 -10.754 6.691 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.322 -7.804 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.775 -9.180 8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.611 -8.240 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.326 -7.936 7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.463 -9.001 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.078 -9.689 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.548 -6.926 9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.007 -6.217 8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.190 -7.172 8.967 1.00 0.00 H new ATOM 298 N HIS A 3 -5.037 -11.373 4.506 1.00 0.00 N ATOM 299 CA HIS A 3 -5.779 -11.680 3.314 1.00 0.00 C ATOM 300 C HIS A 3 -7.145 -11.023 3.369 1.00 0.00 C ATOM 301 O HIS A 3 -7.800 -10.992 4.416 1.00 0.00 O ATOM 302 CB HIS A 3 -5.849 -13.206 3.001 1.00 0.00 C ATOM 303 CG HIS A 3 -6.386 -14.100 4.097 1.00 0.00 C ATOM 304 ND1 HIS A 3 -5.636 -15.072 4.726 1.00 0.00 N ATOM 305 CD2 HIS A 3 -7.631 -14.188 4.636 1.00 0.00 C ATOM 306 CE1 HIS A 3 -6.415 -15.703 5.600 1.00 0.00 C ATOM 307 NE2 HIS A 3 -7.647 -15.205 5.592 1.00 0.00 N ATOM 0 H HIS A 3 -4.917 -12.152 5.153 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.234 -11.258 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.469 -13.344 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.846 -13.547 2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.474 -13.569 4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.089 -16.514 6.234 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.437 -15.503 6.164 1.00 0.00 H new ATOM 315 N SER A 4 -7.498 -10.416 2.300 1.00 0.00 N ATOM 316 CA SER A 4 -8.741 -9.720 2.146 1.00 0.00 C ATOM 317 C SER A 4 -9.150 -9.792 0.709 1.00 0.00 C ATOM 318 O SER A 4 -8.568 -10.548 -0.045 1.00 0.00 O ATOM 319 CB SER A 4 -8.545 -8.289 2.558 1.00 0.00 C ATOM 320 OG SER A 4 -8.454 -8.163 3.963 1.00 0.00 O ATOM 0 H SER A 4 -6.912 -10.382 1.466 1.00 0.00 H new ATOM 0 HA SER A 4 -9.517 -10.169 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.638 -7.897 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.376 -7.686 2.190 1.00 0.00 H new ATOM 0 HG SER A 4 -8.360 -9.052 4.366 1.00 0.00 H new ATOM 326 N SER A 5 -10.123 -9.032 0.312 1.00 0.00 N ATOM 327 CA SER A 5 -10.578 -9.056 -1.040 1.00 0.00 C ATOM 328 C SER A 5 -11.137 -7.705 -1.440 1.00 0.00 C ATOM 329 O SER A 5 -11.459 -6.873 -0.578 1.00 0.00 O ATOM 330 CB SER A 5 -11.609 -10.171 -1.232 1.00 0.00 C ATOM 331 OG SER A 5 -11.025 -11.450 -1.010 1.00 0.00 O ATOM 0 H SER A 5 -10.622 -8.379 0.916 1.00 0.00 H new ATOM 0 HA SER A 5 -9.731 -9.266 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.442 -10.023 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.017 -10.124 -2.242 1.00 0.00 H new ATOM 0 HG SER A 5 -11.703 -12.146 -1.137 1.00 0.00 H new ATOM 337 N VAL A 6 -11.210 -7.488 -2.722 1.00 0.00 N ATOM 338 CA VAL A 6 -11.717 -6.258 -3.288 1.00 0.00 C ATOM 339 C VAL A 6 -13.138 -6.486 -3.687 1.00 0.00 C ATOM 340 O VAL A 6 -13.433 -7.466 -4.342 1.00 0.00 O ATOM 341 CB VAL A 6 -10.952 -5.872 -4.578 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.362 -4.497 -5.089 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.475 -5.940 -4.359 1.00 0.00 C ATOM 0 H VAL A 6 -10.915 -8.170 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.605 -5.468 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.220 -6.597 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.803 -4.264 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.429 -4.495 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.148 -3.747 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.958 -5.665 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.193 -5.250 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.196 -6.955 -4.075 1.00 0.00 H new ATOM 353 N LYS A 7 -14.001 -5.631 -3.302 1.00 0.00 N ATOM 354 CA LYS A 7 -15.369 -5.724 -3.733 1.00 0.00 C ATOM 355 C LYS A 7 -15.798 -4.401 -4.321 1.00 0.00 C ATOM 356 O LYS A 7 -15.043 -3.432 -4.267 1.00 0.00 O ATOM 357 CB LYS A 7 -16.356 -6.239 -2.654 1.00 0.00 C ATOM 358 CG LYS A 7 -16.296 -7.742 -2.369 1.00 0.00 C ATOM 359 CD LYS A 7 -15.141 -8.149 -1.483 1.00 0.00 C ATOM 360 CE LYS A 7 -15.087 -9.665 -1.330 1.00 0.00 C ATOM 361 NZ LYS A 7 -16.339 -10.235 -0.799 1.00 0.00 N ATOM 0 H LYS A 7 -13.799 -4.846 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.408 -6.496 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.163 -5.703 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.370 -5.986 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.229 -8.051 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.223 -8.279 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.205 -7.788 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.246 -7.683 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.872 -10.115 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.264 -9.929 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.181 -11.226 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.643 -9.691 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.078 -10.191 -1.530 1.00 0.00 H new ATOM 375 N ARG A 8 -16.961 -4.336 -4.901 1.00 0.00 N ATOM 376 CA ARG A 8 -17.355 -3.118 -5.551 1.00 0.00 C ATOM 377 C ARG A 8 -18.433 -2.400 -4.746 1.00 0.00 C ATOM 378 O ARG A 8 -19.501 -2.950 -4.474 1.00 0.00 O ATOM 379 CB ARG A 8 -17.813 -3.384 -6.985 1.00 0.00 C ATOM 380 CG ARG A 8 -17.793 -2.143 -7.859 1.00 0.00 C ATOM 381 CD ARG A 8 -18.126 -2.478 -9.295 1.00 0.00 C ATOM 382 NE ARG A 8 -17.934 -1.328 -10.190 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.458 -1.219 -11.421 1.00 0.00 C ATOM 384 NH1 ARG A 8 -19.220 -2.192 -11.916 1.00 0.00 N ATOM 385 NH2 ARG A 8 -18.204 -0.142 -12.148 1.00 0.00 N ATOM 0 H ARG A 8 -17.642 -5.095 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.485 -2.463 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.171 -4.144 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.824 -3.792 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.509 -1.415 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.809 -1.677 -7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.499 -3.305 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.160 -2.817 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.360 -0.556 -9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.408 -3.026 -11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.616 -2.104 -12.852 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.613 0.599 -11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.599 -0.054 -13.084 1.00 0.00 H new ATOM 399 N TRP A 9 -18.127 -1.204 -4.361 1.00 0.00 N ATOM 400 CA TRP A 9 -19.000 -0.355 -3.589 1.00 0.00 C ATOM 401 C TRP A 9 -19.602 0.655 -4.551 1.00 0.00 C ATOM 402 O TRP A 9 -18.968 1.673 -4.892 1.00 0.00 O ATOM 403 CB TRP A 9 -18.161 0.338 -2.518 1.00 0.00 C ATOM 404 CG TRP A 9 -18.888 1.127 -1.491 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.211 1.115 -1.230 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.310 2.045 -0.549 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.483 1.917 -0.175 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.358 2.516 0.243 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.013 2.513 -0.291 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.174 3.411 1.263 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.837 3.403 0.720 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.922 3.846 1.483 1.00 0.00 C ATOM 0 H TRP A 9 -17.231 -0.768 -4.579 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.798 -0.912 -3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.572 -0.423 -2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.457 1.002 -3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -20.946 0.548 -1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.406 2.047 0.240 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.175 2.174 -0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.002 3.753 1.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.846 3.773 0.937 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.748 4.560 2.274 1.00 0.00 H new ATOM 423 N GLY A 10 -20.776 0.344 -5.047 1.00 0.00 N ATOM 424 CA GLY A 10 -21.364 1.151 -6.067 1.00 0.00 C ATOM 425 C GLY A 10 -20.628 0.874 -7.344 1.00 0.00 C ATOM 426 O GLY A 10 -20.409 -0.291 -7.688 1.00 0.00 O ATOM 0 H GLY A 10 -21.334 -0.459 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.423 0.918 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.296 2.207 -5.807 1.00 0.00 H new ATOM 430 N ASN A 11 -20.218 1.889 -8.040 1.00 0.00 N ATOM 431 CA ASN A 11 -19.381 1.668 -9.210 1.00 0.00 C ATOM 432 C ASN A 11 -17.879 1.749 -8.885 1.00 0.00 C ATOM 433 O ASN A 11 -17.050 1.640 -9.793 1.00 0.00 O ATOM 434 CB ASN A 11 -19.707 2.630 -10.358 1.00 0.00 C ATOM 435 CG ASN A 11 -21.087 2.439 -10.947 1.00 0.00 C ATOM 436 OD1 ASN A 11 -21.656 1.344 -10.910 1.00 0.00 O ATOM 437 ND2 ASN A 11 -21.614 3.483 -11.538 1.00 0.00 N ATOM 0 H ASN A 11 -20.436 2.864 -7.836 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.611 0.653 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.616 3.654 -9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -18.966 2.503 -11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -22.526 3.408 -11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.112 4.371 -11.547 1.00 0.00 H new ATOM 444 N SER A 12 -17.521 1.825 -7.609 1.00 0.00 N ATOM 445 CA SER A 12 -16.182 2.039 -7.216 1.00 0.00 C ATOM 446 C SER A 12 -15.656 0.810 -6.506 1.00 0.00 C ATOM 447 O SER A 12 -16.310 0.272 -5.630 1.00 0.00 O ATOM 448 CB SER A 12 -16.125 3.242 -6.263 1.00 0.00 C ATOM 449 OG SER A 12 -14.812 3.448 -5.731 1.00 0.00 O ATOM 0 H SER A 12 -18.175 1.736 -6.832 1.00 0.00 H new ATOM 0 HA SER A 12 -15.570 2.235 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.445 4.139 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.827 3.088 -5.444 1.00 0.00 H new ATOM 0 HG SER A 12 -14.732 4.368 -5.404 1.00 0.00 H new ATOM 455 N PRO A 13 -14.518 0.330 -6.915 1.00 0.00 N ATOM 456 CA PRO A 13 -13.820 -0.736 -6.213 1.00 0.00 C ATOM 457 C PRO A 13 -13.419 -0.270 -4.810 1.00 0.00 C ATOM 458 O PRO A 13 -12.858 0.834 -4.645 1.00 0.00 O ATOM 459 CB PRO A 13 -12.560 -0.978 -7.031 1.00 0.00 C ATOM 460 CG PRO A 13 -12.671 -0.138 -8.267 1.00 0.00 C ATOM 461 CD PRO A 13 -13.837 0.777 -8.115 1.00 0.00 C ATOM 0 HA PRO A 13 -14.439 -1.627 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.672 -0.708 -6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.465 -2.033 -7.289 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.757 0.436 -8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.799 -0.771 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.514 1.814 -8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.494 0.725 -8.983 1.00 0.00 H new ATOM 469 N ALA A 14 -13.721 -1.060 -3.818 1.00 0.00 N ATOM 470 CA ALA A 14 -13.391 -0.722 -2.478 1.00 0.00 C ATOM 471 C ALA A 14 -12.783 -1.906 -1.762 1.00 0.00 C ATOM 472 O ALA A 14 -13.216 -3.061 -1.939 1.00 0.00 O ATOM 473 CB ALA A 14 -14.613 -0.215 -1.741 1.00 0.00 C ATOM 0 H ALA A 14 -14.202 -1.953 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.650 0.077 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.341 0.039 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.000 0.671 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.380 -0.990 -1.731 1.00 0.00 H new ATOM 479 N VAL A 15 -11.766 -1.632 -0.998 1.00 0.00 N ATOM 480 CA VAL A 15 -11.107 -2.638 -0.206 1.00 0.00 C ATOM 481 C VAL A 15 -11.454 -2.406 1.243 1.00 0.00 C ATOM 482 O VAL A 15 -11.530 -1.256 1.693 1.00 0.00 O ATOM 483 CB VAL A 15 -9.554 -2.628 -0.415 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.852 -3.644 0.490 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.222 -2.931 -1.867 1.00 0.00 C ATOM 0 H VAL A 15 -11.365 -0.699 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.454 -3.621 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.195 -1.633 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.777 -3.606 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.058 -3.405 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.221 -4.645 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.140 -2.922 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.613 -3.913 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.674 -2.175 -2.509 1.00 0.00 H new ATOM 495 N ARG A 16 -11.725 -3.477 1.937 1.00 0.00 N ATOM 496 CA ARG A 16 -12.060 -3.440 3.330 1.00 0.00 C ATOM 497 C ARG A 16 -10.813 -3.378 4.195 1.00 0.00 C ATOM 498 O ARG A 16 -9.995 -4.298 4.182 1.00 0.00 O ATOM 499 CB ARG A 16 -12.878 -4.666 3.693 1.00 0.00 C ATOM 500 CG ARG A 16 -14.283 -4.648 3.164 1.00 0.00 C ATOM 501 CD ARG A 16 -15.035 -5.862 3.637 1.00 0.00 C ATOM 502 NE ARG A 16 -16.467 -5.819 3.311 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.226 -6.890 3.037 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.665 -8.095 2.887 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.538 -6.745 2.899 1.00 0.00 N ATOM 0 H ARG A 16 -11.718 -4.417 1.541 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.646 -2.540 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.370 -5.553 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.912 -4.758 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.793 -3.744 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.268 -4.623 2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.594 -6.752 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.917 -5.957 4.716 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.918 -4.904 3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.655 -8.203 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.247 -8.906 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.963 -5.823 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.122 -7.555 2.691 1.00 0.00 H new ATOM 519 N ILE A 17 -10.672 -2.311 4.928 1.00 0.00 N ATOM 520 CA ILE A 17 -9.550 -2.121 5.818 1.00 0.00 C ATOM 521 C ILE A 17 -9.962 -2.449 7.255 1.00 0.00 C ATOM 522 O ILE A 17 -11.066 -2.093 7.679 1.00 0.00 O ATOM 523 CB ILE A 17 -8.944 -0.654 5.717 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.088 -0.462 4.470 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.141 -0.247 6.920 1.00 0.00 C ATOM 526 CD1 ILE A 17 -8.845 -0.427 3.202 1.00 0.00 C ATOM 0 H ILE A 17 -11.337 -1.537 4.929 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.760 -2.806 5.510 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.821 -0.009 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.529 0.468 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.357 -1.269 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.760 0.764 6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.774 -0.275 7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.305 -0.934 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.155 -0.287 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.383 -1.366 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.557 0.398 3.226 1.00 0.00 H new ATOM 538 N PRO A 18 -9.118 -3.206 7.990 1.00 0.00 N ATOM 539 CA PRO A 18 -9.352 -3.499 9.400 1.00 0.00 C ATOM 540 C PRO A 18 -9.376 -2.217 10.233 1.00 0.00 C ATOM 541 O PRO A 18 -8.414 -1.418 10.204 1.00 0.00 O ATOM 542 CB PRO A 18 -8.145 -4.369 9.804 1.00 0.00 C ATOM 543 CG PRO A 18 -7.129 -4.160 8.735 1.00 0.00 C ATOM 544 CD PRO A 18 -7.894 -3.860 7.488 1.00 0.00 C ATOM 0 HA PRO A 18 -10.311 -3.990 9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.756 -4.073 10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.426 -5.420 9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.460 -3.338 8.989 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.509 -5.048 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.334 -3.206 6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.123 -4.767 6.928 1.00 0.00 H new ATOM 552 N ALA A 19 -10.452 -2.026 10.983 1.00 0.00 N ATOM 553 CA ALA A 19 -10.631 -0.832 11.814 1.00 0.00 C ATOM 554 C ALA A 19 -9.513 -0.700 12.844 1.00 0.00 C ATOM 555 O ALA A 19 -9.156 0.396 13.252 1.00 0.00 O ATOM 556 CB ALA A 19 -11.982 -0.854 12.498 1.00 0.00 C ATOM 0 H ALA A 19 -11.226 -2.688 11.036 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.587 0.038 11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.095 0.041 13.110 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.770 -0.881 11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.055 -1.738 13.131 1.00 0.00 H new ATOM 562 N THR A 20 -8.944 -1.824 13.218 1.00 0.00 N ATOM 563 CA THR A 20 -7.847 -1.879 14.159 1.00 0.00 C ATOM 564 C THR A 20 -6.615 -1.084 13.622 1.00 0.00 C ATOM 565 O THR A 20 -5.905 -0.431 14.377 1.00 0.00 O ATOM 566 CB THR A 20 -7.474 -3.360 14.395 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.672 -4.104 14.733 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.476 -3.509 15.523 1.00 0.00 C ATOM 0 H THR A 20 -9.234 -2.739 12.872 1.00 0.00 H new ATOM 0 HA THR A 20 -8.151 -1.420 15.100 1.00 0.00 H new ATOM 0 HB THR A 20 -7.022 -3.744 13.481 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.442 -5.045 14.882 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.237 -4.564 15.660 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.567 -2.960 15.279 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.905 -3.111 16.443 1.00 0.00 H new ATOM 576 N LEU A 21 -6.428 -1.100 12.310 1.00 0.00 N ATOM 577 CA LEU A 21 -5.289 -0.424 11.676 1.00 0.00 C ATOM 578 C LEU A 21 -5.554 1.029 11.525 1.00 0.00 C ATOM 579 O LEU A 21 -4.656 1.845 11.605 1.00 0.00 O ATOM 580 CB LEU A 21 -4.962 -1.050 10.339 1.00 0.00 C ATOM 581 CG LEU A 21 -4.068 -2.279 10.372 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.643 -1.885 10.729 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.568 -3.309 11.363 1.00 0.00 C ATOM 0 H LEU A 21 -7.050 -1.574 11.655 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.423 -0.546 12.326 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.898 -1.321 9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.483 -0.295 9.716 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.089 -2.723 9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.014 -2.775 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.261 -1.187 9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.632 -1.410 11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.903 -4.172 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.588 -2.873 12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.574 -3.624 11.084 1.00 0.00 H new ATOM 595 N MET A 22 -6.791 1.334 11.307 1.00 0.00 N ATOM 596 CA MET A 22 -7.279 2.726 11.284 1.00 0.00 C ATOM 597 C MET A 22 -6.869 3.393 12.574 1.00 0.00 C ATOM 598 O MET A 22 -6.227 4.446 12.582 1.00 0.00 O ATOM 599 CB MET A 22 -8.802 2.733 11.192 1.00 0.00 C ATOM 600 CG MET A 22 -9.386 2.119 9.930 1.00 0.00 C ATOM 601 SD MET A 22 -9.396 3.233 8.537 1.00 0.00 S ATOM 602 CE MET A 22 -10.498 4.491 9.168 1.00 0.00 C ATOM 0 H MET A 22 -7.518 0.639 11.136 1.00 0.00 H new ATOM 0 HA MET A 22 -6.860 3.252 10.426 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.203 2.199 12.054 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.148 3.764 11.267 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.813 1.229 9.670 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.406 1.793 10.132 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.901 5.071 8.338 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.316 4.019 9.712 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.950 5.152 9.839 1.00 0.00 H new ATOM 612 N GLN A 23 -7.206 2.725 13.656 1.00 0.00 N ATOM 613 CA GLN A 23 -6.857 3.156 14.996 1.00 0.00 C ATOM 614 C GLN A 23 -5.352 3.199 15.174 1.00 0.00 C ATOM 615 O GLN A 23 -4.821 4.073 15.875 1.00 0.00 O ATOM 616 CB GLN A 23 -7.426 2.201 16.023 1.00 0.00 C ATOM 617 CG GLN A 23 -8.909 2.030 15.937 1.00 0.00 C ATOM 618 CD GLN A 23 -9.442 1.069 16.974 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.754 0.140 17.397 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.657 1.267 17.376 1.00 0.00 N ATOM 0 H GLN A 23 -7.738 1.855 13.631 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.274 4.153 15.138 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.951 1.228 15.902 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.169 2.560 17.020 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.391 2.999 16.063 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.173 1.670 14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.197 2.048 17.003 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.074 0.642 18.066 1.00 0.00 H new ATOM 629 N ALA A 24 -4.664 2.278 14.523 1.00 0.00 N ATOM 630 CA ALA A 24 -3.213 2.161 14.666 1.00 0.00 C ATOM 631 C ALA A 24 -2.498 3.324 13.997 1.00 0.00 C ATOM 632 O ALA A 24 -1.438 3.770 14.443 1.00 0.00 O ATOM 633 CB ALA A 24 -2.725 0.835 14.101 1.00 0.00 C ATOM 0 H ALA A 24 -5.082 1.597 13.889 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.978 2.192 15.730 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.643 0.766 14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.200 0.014 14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.982 0.774 13.043 1.00 0.00 H new ATOM 639 N LEU A 25 -3.090 3.820 12.949 1.00 0.00 N ATOM 640 CA LEU A 25 -2.521 4.891 12.184 1.00 0.00 C ATOM 641 C LEU A 25 -3.122 6.240 12.582 1.00 0.00 C ATOM 642 O LEU A 25 -2.739 7.287 12.055 1.00 0.00 O ATOM 643 CB LEU A 25 -2.750 4.586 10.727 1.00 0.00 C ATOM 644 CG LEU A 25 -2.146 3.256 10.264 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.585 2.935 8.871 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.626 3.296 10.348 1.00 0.00 C ATOM 0 H LEU A 25 -3.989 3.489 12.599 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.452 4.968 12.381 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.823 4.572 10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.328 5.393 10.127 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.505 2.470 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.146 1.987 8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.672 2.858 8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.258 3.725 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.218 2.342 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.247 4.095 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.323 3.480 11.379 1.00 0.00 H new ATOM 658 N ASN A 26 -4.075 6.187 13.526 1.00 0.00 N ATOM 659 CA ASN A 26 -4.784 7.366 14.088 1.00 0.00 C ATOM 660 C ASN A 26 -5.671 8.073 13.068 1.00 0.00 C ATOM 661 O ASN A 26 -6.135 9.210 13.295 1.00 0.00 O ATOM 662 CB ASN A 26 -3.836 8.381 14.783 1.00 0.00 C ATOM 663 CG ASN A 26 -3.268 7.878 16.103 1.00 0.00 C ATOM 664 OD1 ASN A 26 -3.874 8.054 17.160 1.00 0.00 O ATOM 665 ND2 ASN A 26 -2.089 7.322 16.071 1.00 0.00 N ATOM 0 H ASN A 26 -4.387 5.306 13.935 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.434 6.950 14.858 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.013 8.617 14.109 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.379 9.310 14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.644 7.019 16.938 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.612 7.190 15.179 1.00 0.00 H new ATOM 672 N LEU A 27 -5.977 7.393 11.993 1.00 0.00 N ATOM 673 CA LEU A 27 -6.777 7.950 10.966 1.00 0.00 C ATOM 674 C LEU A 27 -8.200 7.468 11.141 1.00 0.00 C ATOM 675 O LEU A 27 -8.458 6.492 11.855 1.00 0.00 O ATOM 676 CB LEU A 27 -6.171 7.630 9.590 1.00 0.00 C ATOM 677 CG LEU A 27 -6.218 6.195 9.079 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.397 6.021 8.159 1.00 0.00 C ATOM 679 CD2 LEU A 27 -4.945 5.845 8.349 1.00 0.00 C ATOM 0 H LEU A 27 -5.671 6.436 11.817 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.799 9.038 11.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.674 8.258 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.126 7.938 9.611 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.321 5.527 9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.427 4.994 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.317 6.241 8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.302 6.702 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.001 4.816 7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.816 6.516 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.097 5.949 9.026 1.00 0.00 H new ATOM 691 N ASN A 28 -9.101 8.134 10.517 1.00 0.00 N ATOM 692 CA ASN A 28 -10.498 7.893 10.731 1.00 0.00 C ATOM 693 C ASN A 28 -11.262 7.906 9.451 1.00 0.00 C ATOM 694 O ASN A 28 -10.710 8.172 8.375 1.00 0.00 O ATOM 695 CB ASN A 28 -11.085 8.951 11.679 1.00 0.00 C ATOM 696 CG ASN A 28 -10.659 10.381 11.338 1.00 0.00 C ATOM 697 OD1 ASN A 28 -9.673 10.889 11.874 1.00 0.00 O ATOM 698 ND2 ASN A 28 -11.344 11.010 10.427 1.00 0.00 N ATOM 0 H ASN A 28 -8.899 8.868 9.838 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.590 6.903 11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.173 8.888 11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.778 8.723 12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.069 11.949 10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.156 10.564 10.001 1.00 0.00 H new ATOM 705 N ILE A 29 -12.531 7.601 9.569 1.00 0.00 N ATOM 706 CA ILE A 29 -13.447 7.663 8.470 1.00 0.00 C ATOM 707 C ILE A 29 -13.589 9.133 8.064 1.00 0.00 C ATOM 708 O ILE A 29 -13.540 10.019 8.927 1.00 0.00 O ATOM 709 CB ILE A 29 -14.840 7.064 8.882 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.738 5.552 9.190 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.926 7.315 7.831 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.228 4.707 8.044 1.00 0.00 C ATOM 0 H ILE A 29 -12.957 7.299 10.445 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.074 7.076 7.631 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.135 7.589 9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.079 5.413 10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.723 5.187 9.482 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.867 6.880 8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.053 8.388 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.632 6.856 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.190 3.662 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.897 4.810 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.228 5.039 7.764 1.00 0.00 H new ATOM 724 N ASP A 30 -13.659 9.365 6.763 1.00 0.00 N ATOM 725 CA ASP A 30 -13.834 10.683 6.133 1.00 0.00 C ATOM 726 C ASP A 30 -12.501 11.438 6.047 1.00 0.00 C ATOM 727 O ASP A 30 -12.441 12.579 5.590 1.00 0.00 O ATOM 728 CB ASP A 30 -14.944 11.513 6.831 1.00 0.00 C ATOM 729 CG ASP A 30 -15.394 12.733 6.055 1.00 0.00 C ATOM 730 OD1 ASP A 30 -16.312 12.601 5.224 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.887 13.851 6.299 1.00 0.00 O ATOM 0 H ASP A 30 -13.593 8.612 6.078 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.173 10.520 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.807 10.870 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.582 11.832 7.808 1.00 0.00 H new ATOM 736 N ASP A 31 -11.408 10.776 6.405 1.00 0.00 N ATOM 737 CA ASP A 31 -10.138 11.434 6.359 1.00 0.00 C ATOM 738 C ASP A 31 -9.491 11.108 5.036 1.00 0.00 C ATOM 739 O ASP A 31 -9.851 10.110 4.388 1.00 0.00 O ATOM 740 CB ASP A 31 -9.228 11.050 7.535 1.00 0.00 C ATOM 741 CG ASP A 31 -8.243 12.166 7.857 1.00 0.00 C ATOM 742 OD1 ASP A 31 -8.579 13.079 8.645 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.155 12.193 7.313 1.00 0.00 O ATOM 0 H ASP A 31 -11.388 9.807 6.721 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.294 12.509 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.836 10.834 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.682 10.138 7.293 1.00 0.00 H new ATOM 748 N GLU A 32 -8.550 11.898 4.659 1.00 0.00 N ATOM 749 CA GLU A 32 -7.946 11.853 3.362 1.00 0.00 C ATOM 750 C GLU A 32 -6.647 11.056 3.404 1.00 0.00 C ATOM 751 O GLU A 32 -5.845 11.212 4.326 1.00 0.00 O ATOM 752 CB GLU A 32 -7.725 13.296 2.889 1.00 0.00 C ATOM 753 CG GLU A 32 -7.019 13.436 1.567 1.00 0.00 C ATOM 754 CD GLU A 32 -6.885 14.876 1.126 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.799 15.383 0.457 1.00 0.00 O ATOM 756 OE2 GLU A 32 -5.874 15.528 1.445 1.00 0.00 O ATOM 0 H GLU A 32 -8.161 12.622 5.262 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.598 11.343 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.694 13.791 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.150 13.826 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.028 12.989 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.565 12.877 0.807 1.00 0.00 H new ATOM 763 N VAL A 33 -6.443 10.185 2.422 1.00 0.00 N ATOM 764 CA VAL A 33 -5.249 9.369 2.408 1.00 0.00 C ATOM 765 C VAL A 33 -4.560 9.409 1.057 1.00 0.00 C ATOM 766 O VAL A 33 -5.187 9.732 0.033 1.00 0.00 O ATOM 767 CB VAL A 33 -5.478 7.873 2.835 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.288 7.796 4.074 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.128 7.034 1.756 1.00 0.00 C ATOM 0 H VAL A 33 -7.081 10.032 1.641 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.606 9.818 3.165 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.485 7.460 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.433 6.751 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.770 8.315 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.257 8.265 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.257 6.013 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.101 7.455 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.495 7.028 0.869 1.00 0.00 H new ATOM 779 N LYS A 34 -3.286 9.113 1.072 1.00 0.00 N ATOM 780 CA LYS A 34 -2.484 9.026 -0.131 1.00 0.00 C ATOM 781 C LYS A 34 -2.428 7.614 -0.656 1.00 0.00 C ATOM 782 O LYS A 34 -2.017 6.689 0.062 1.00 0.00 O ATOM 783 CB LYS A 34 -1.036 9.411 0.159 1.00 0.00 C ATOM 784 CG LYS A 34 -0.762 10.863 0.427 1.00 0.00 C ATOM 785 CD LYS A 34 0.625 11.053 1.057 1.00 0.00 C ATOM 786 CE LYS A 34 1.731 10.316 0.292 1.00 0.00 C ATOM 787 NZ LYS A 34 1.850 10.755 -1.098 1.00 0.00 N ATOM 0 H LYS A 34 -2.766 8.922 1.928 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.949 9.697 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.698 8.837 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.426 9.101 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.823 11.426 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.526 11.264 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.861 12.117 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.603 10.697 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.683 10.472 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.529 9.245 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.665 10.286 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.983 10.506 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.986 11.786 -1.126 1.00 0.00 H new ATOM 801 N ILE A 35 -2.837 7.436 -1.872 1.00 0.00 N ATOM 802 CA ILE A 35 -2.527 6.226 -2.565 1.00 0.00 C ATOM 803 C ILE A 35 -1.285 6.552 -3.365 1.00 0.00 C ATOM 804 O ILE A 35 -1.343 7.194 -4.427 1.00 0.00 O ATOM 805 CB ILE A 35 -3.674 5.666 -3.490 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.870 5.120 -2.675 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.148 4.573 -4.402 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.696 6.163 -1.965 1.00 0.00 C ATOM 0 H ILE A 35 -3.385 8.111 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.386 5.419 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.026 6.505 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.521 4.560 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.492 4.414 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.958 4.202 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.355 4.975 -5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.753 3.755 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.508 5.678 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.067 6.709 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.111 6.857 -2.695 1.00 0.00 H new ATOM 820 N ASP A 36 -0.171 6.225 -2.793 1.00 0.00 N ATOM 821 CA ASP A 36 1.110 6.580 -3.351 1.00 0.00 C ATOM 822 C ASP A 36 1.631 5.360 -4.075 1.00 0.00 C ATOM 823 O ASP A 36 1.485 4.244 -3.578 1.00 0.00 O ATOM 824 CB ASP A 36 2.044 7.006 -2.202 1.00 0.00 C ATOM 825 CG ASP A 36 3.257 7.803 -2.635 1.00 0.00 C ATOM 826 OD1 ASP A 36 3.187 9.068 -2.652 1.00 0.00 O ATOM 827 OD2 ASP A 36 4.301 7.212 -2.876 1.00 0.00 O ATOM 0 H ASP A 36 -0.116 5.701 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 36 1.043 7.413 -4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.472 7.599 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.382 6.113 -1.676 1.00 0.00 H new ATOM 832 N LEU A 37 2.155 5.534 -5.256 1.00 0.00 N ATOM 833 CA LEU A 37 2.578 4.456 -6.031 1.00 0.00 C ATOM 834 C LEU A 37 4.059 4.219 -5.806 1.00 0.00 C ATOM 835 O LEU A 37 4.897 5.108 -6.008 1.00 0.00 O ATOM 836 CB LEU A 37 2.282 4.754 -7.496 1.00 0.00 C ATOM 837 CG LEU A 37 1.851 3.576 -8.348 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.829 2.458 -8.251 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.444 3.130 -7.991 1.00 0.00 C ATOM 0 H LEU A 37 2.292 6.446 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 37 2.044 3.550 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.500 5.512 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.175 5.191 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 37 1.833 3.899 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.494 1.627 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.806 2.798 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.904 2.129 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.161 2.284 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.412 2.833 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.251 3.953 -8.156 1.00 0.00 H new ATOM 851 N VAL A 38 4.355 3.024 -5.408 1.00 0.00 N ATOM 852 CA VAL A 38 5.720 2.587 -5.108 1.00 0.00 C ATOM 853 C VAL A 38 5.887 1.154 -5.599 1.00 0.00 C ATOM 854 O VAL A 38 5.039 0.296 -5.318 1.00 0.00 O ATOM 855 CB VAL A 38 6.032 2.610 -3.571 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.485 2.265 -3.297 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.677 3.942 -2.919 1.00 0.00 C ATOM 0 H VAL A 38 3.655 2.294 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 38 6.404 3.275 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 38 5.397 1.847 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.669 2.290 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.700 1.267 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.131 2.990 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.914 3.901 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.251 4.741 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.612 4.137 -3.046 1.00 0.00 H new ATOM 867 N ASP A 39 6.920 0.927 -6.406 1.00 0.00 N ATOM 868 CA ASP A 39 7.302 -0.406 -6.939 1.00 0.00 C ATOM 869 C ASP A 39 6.199 -1.046 -7.761 1.00 0.00 C ATOM 870 O ASP A 39 6.193 -2.265 -7.994 1.00 0.00 O ATOM 871 CB ASP A 39 7.770 -1.363 -5.825 1.00 0.00 C ATOM 872 CG ASP A 39 9.125 -0.993 -5.265 1.00 0.00 C ATOM 873 OD1 ASP A 39 10.152 -1.293 -5.922 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.197 -0.392 -4.174 1.00 0.00 O ATOM 0 H ASP A 39 7.538 1.674 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 39 8.144 -0.226 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.036 -1.361 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.810 -2.379 -6.218 1.00 0.00 H new ATOM 879 N GLY A 40 5.309 -0.218 -8.245 1.00 0.00 N ATOM 880 CA GLY A 40 4.227 -0.674 -9.067 1.00 0.00 C ATOM 881 C GLY A 40 3.060 -1.238 -8.291 1.00 0.00 C ATOM 882 O GLY A 40 2.244 -1.941 -8.858 1.00 0.00 O ATOM 0 H GLY A 40 5.317 0.788 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.875 0.156 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.600 -1.438 -9.749 1.00 0.00 H new ATOM 886 N LYS A 41 2.985 -0.965 -7.009 1.00 0.00 N ATOM 887 CA LYS A 41 1.858 -1.424 -6.229 1.00 0.00 C ATOM 888 C LYS A 41 1.262 -0.280 -5.449 1.00 0.00 C ATOM 889 O LYS A 41 1.876 0.796 -5.344 1.00 0.00 O ATOM 890 CB LYS A 41 2.225 -2.637 -5.341 1.00 0.00 C ATOM 891 CG LYS A 41 3.318 -2.414 -4.318 1.00 0.00 C ATOM 892 CD LYS A 41 3.963 -3.743 -3.933 1.00 0.00 C ATOM 893 CE LYS A 41 5.203 -3.548 -3.078 1.00 0.00 C ATOM 894 NZ LYS A 41 5.898 -4.829 -2.806 1.00 0.00 N ATOM 0 H LYS A 41 3.682 -0.433 -6.488 1.00 0.00 H new ATOM 0 HA LYS A 41 1.089 -1.786 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.326 -2.961 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.528 -3.458 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.073 -1.740 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.904 -1.933 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.241 -4.353 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.228 -4.292 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.887 -2.865 -3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.923 -3.080 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.538 -4.711 -1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.196 -5.565 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.448 -5.110 -3.643 1.00 0.00 H new ATOM 908 N LEU A 42 0.079 -0.494 -4.922 1.00 0.00 N ATOM 909 CA LEU A 42 -0.637 0.542 -4.221 1.00 0.00 C ATOM 910 C LEU A 42 -0.202 0.569 -2.804 1.00 0.00 C ATOM 911 O LEU A 42 -0.203 -0.439 -2.106 1.00 0.00 O ATOM 912 CB LEU A 42 -2.142 0.339 -4.327 1.00 0.00 C ATOM 913 CG LEU A 42 -2.688 0.277 -5.740 1.00 0.00 C ATOM 914 CD1 LEU A 42 -4.055 -0.382 -5.755 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.792 1.656 -6.383 1.00 0.00 C ATOM 0 H LEU A 42 -0.411 -1.387 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.408 1.503 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.405 -0.585 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.640 1.151 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.981 -0.316 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.431 -0.417 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.975 -1.396 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.743 0.193 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.188 1.557 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.459 2.284 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.804 2.114 -6.424 1.00 0.00 H new ATOM 927 N ILE A 43 0.201 1.691 -2.408 1.00 0.00 N ATOM 928 CA ILE A 43 0.721 1.889 -1.092 1.00 0.00 C ATOM 929 C ILE A 43 -0.180 2.851 -0.346 1.00 0.00 C ATOM 930 O ILE A 43 -0.647 3.849 -0.921 1.00 0.00 O ATOM 931 CB ILE A 43 2.145 2.461 -1.177 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.064 1.580 -2.027 1.00 0.00 C ATOM 933 CG2 ILE A 43 2.750 2.736 0.174 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.180 0.128 -1.610 1.00 0.00 C ATOM 0 H ILE A 43 0.189 2.533 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 43 0.756 0.937 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 43 2.050 3.425 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.711 1.612 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.062 2.019 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.755 3.138 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.134 3.460 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.799 1.809 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.857 -0.392 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.569 0.071 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.197 -0.341 -1.649 1.00 0.00 H new ATOM 946 N ILE A 44 -0.427 2.566 0.914 1.00 0.00 N ATOM 947 CA ILE A 44 -1.309 3.385 1.700 1.00 0.00 C ATOM 948 C ILE A 44 -0.528 4.083 2.787 1.00 0.00 C ATOM 949 O ILE A 44 -0.016 3.462 3.726 1.00 0.00 O ATOM 950 CB ILE A 44 -2.501 2.595 2.312 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.383 1.994 1.205 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.340 3.495 3.235 1.00 0.00 C ATOM 953 CD1 ILE A 44 -4.565 1.194 1.726 1.00 0.00 C ATOM 0 H ILE A 44 -0.026 1.771 1.412 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.745 4.120 1.023 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.091 1.780 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.753 2.800 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.770 1.349 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.167 2.920 3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.714 3.868 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.734 4.336 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.138 0.803 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.203 0.366 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.202 1.839 2.331 1.00 0.00 H new ATOM 965 N GLU A 45 -0.429 5.346 2.627 1.00 0.00 N ATOM 966 CA GLU A 45 0.256 6.219 3.519 1.00 0.00 C ATOM 967 C GLU A 45 -0.716 7.363 3.742 1.00 0.00 C ATOM 968 O GLU A 45 -1.310 7.843 2.780 1.00 0.00 O ATOM 969 CB GLU A 45 1.570 6.632 2.822 1.00 0.00 C ATOM 970 CG GLU A 45 2.463 7.647 3.503 1.00 0.00 C ATOM 971 CD GLU A 45 3.806 7.741 2.800 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.965 8.554 1.858 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.723 6.972 3.169 1.00 0.00 O ATOM 0 H GLU A 45 -0.843 5.832 1.831 1.00 0.00 H new ATOM 0 HA GLU A 45 0.536 5.796 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.158 5.728 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.314 7.024 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.978 8.623 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.612 7.366 4.545 1.00 0.00 H new ATOM 980 N PRO A 46 -0.981 7.782 4.972 1.00 0.00 N ATOM 981 CA PRO A 46 -2.011 8.725 5.212 1.00 0.00 C ATOM 982 C PRO A 46 -1.571 10.143 4.960 1.00 0.00 C ATOM 983 O PRO A 46 -0.383 10.429 4.761 1.00 0.00 O ATOM 984 CB PRO A 46 -2.389 8.527 6.681 1.00 0.00 C ATOM 985 CG PRO A 46 -1.448 7.499 7.195 1.00 0.00 C ATOM 986 CD PRO A 46 -0.300 7.449 6.209 1.00 0.00 C ATOM 0 HA PRO A 46 -2.850 8.566 4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.297 9.458 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.423 8.197 6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.094 7.759 8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.937 6.528 7.273 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.485 8.165 6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.167 6.465 6.170 1.00 0.00 H new ATOM 994 N VAL A 47 -2.508 11.017 4.972 1.00 0.00 N ATOM 995 CA VAL A 47 -2.212 12.399 4.783 1.00 0.00 C ATOM 996 C VAL A 47 -2.204 13.011 6.135 1.00 0.00 C ATOM 997 O VAL A 47 -3.211 12.983 6.839 1.00 0.00 O ATOM 998 CB VAL A 47 -3.230 13.164 3.882 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.776 14.569 3.678 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.356 12.535 2.537 1.00 0.00 C ATOM 0 H VAL A 47 -3.496 10.804 5.111 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.257 12.473 4.263 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.193 13.131 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.493 15.095 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.703 15.072 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.799 14.569 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.074 13.096 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.386 12.541 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.701 11.507 2.647 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.140 9.827 -5.170 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.535 10.055 -5.458 1.00 0.00 C ATOM 1353 C ILE B 2 -4.258 10.307 -4.150 1.00 0.00 C ATOM 1354 O ILE B 2 -4.317 9.414 -3.289 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.172 8.810 -6.146 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.387 8.424 -7.412 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.647 9.067 -6.479 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -3.878 7.152 -8.083 1.00 0.00 C ATOM 0 HA ILE B 2 -3.623 10.909 -6.129 1.00 0.00 H new ATOM 0 HB ILE B 2 -4.122 7.975 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.445 9.245 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.336 8.302 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.071 8.185 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.195 9.280 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.724 9.919 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.273 6.950 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.794 6.318 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -4.920 7.275 -8.377 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.748 11.510 -3.959 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.482 11.797 -2.759 1.00 0.00 C ATOM 1372 C HIS B 3 -6.873 11.185 -2.829 1.00 0.00 C ATOM 1373 O HIS B 3 -7.554 11.244 -3.860 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.497 13.312 -2.369 1.00 0.00 C ATOM 1375 CG HIS B 3 -6.100 14.287 -3.363 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -5.401 15.332 -3.932 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -7.372 14.411 -3.815 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -6.239 16.036 -4.685 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -7.457 15.522 -4.650 1.00 0.00 N ATOM 0 H HIS B 3 -4.652 12.290 -4.609 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.946 11.321 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -6.040 13.412 -1.429 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -4.469 13.620 -2.178 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -8.191 13.752 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -5.962 16.913 -5.251 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -8.286 15.867 -5.134 1.00 0.00 H new ATOM 1387 N SER B 4 -7.228 10.519 -1.790 1.00 0.00 N ATOM 1388 CA SER B 4 -8.502 9.874 -1.648 1.00 0.00 C ATOM 1389 C SER B 4 -8.946 9.996 -0.221 1.00 0.00 C ATOM 1390 O SER B 4 -8.364 10.753 0.531 1.00 0.00 O ATOM 1391 CB SER B 4 -8.356 8.420 -2.008 1.00 0.00 C ATOM 1392 OG SER B 4 -8.116 8.261 -3.392 1.00 0.00 O ATOM 0 H SER B 4 -6.622 10.398 -0.979 1.00 0.00 H new ATOM 0 HA SER B 4 -9.238 10.339 -2.304 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.535 7.982 -1.441 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.261 7.880 -1.728 1.00 0.00 H new ATOM 0 HG SER B 4 -8.023 7.308 -3.601 1.00 0.00 H new ATOM 1398 N SER B 5 -9.949 9.272 0.163 1.00 0.00 N ATOM 1399 CA SER B 5 -10.434 9.320 1.503 1.00 0.00 C ATOM 1400 C SER B 5 -11.055 7.987 1.879 1.00 0.00 C ATOM 1401 O SER B 5 -11.447 7.203 1.002 1.00 0.00 O ATOM 1402 CB SER B 5 -11.427 10.479 1.674 1.00 0.00 C ATOM 1403 OG SER B 5 -10.789 11.740 1.467 1.00 0.00 O ATOM 0 H SER B 5 -10.455 8.630 -0.447 1.00 0.00 H new ATOM 0 HA SER B 5 -9.600 9.503 2.180 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.249 10.364 0.968 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.859 10.447 2.674 1.00 0.00 H new ATOM 0 HG SER B 5 -11.444 12.460 1.580 1.00 0.00 H new ATOM 1409 N VAL B 6 -11.105 7.732 3.157 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.656 6.507 3.696 1.00 0.00 C ATOM 1411 C VAL B 6 -13.075 6.769 4.078 1.00 0.00 C ATOM 1412 O VAL B 6 -13.361 7.774 4.697 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.909 6.072 4.987 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.374 4.708 5.485 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.423 6.095 4.790 1.00 0.00 C ATOM 0 H VAL B 6 -10.760 8.376 3.869 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.562 5.725 2.943 1.00 0.00 H new ATOM 0 HB VAL B 6 -11.159 6.800 5.759 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.825 4.444 6.389 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.441 4.746 5.706 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.189 3.958 4.716 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.929 5.786 5.711 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.152 5.411 3.986 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -9.106 7.105 4.530 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.953 5.912 3.716 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.327 6.041 4.132 1.00 0.00 C ATOM 1427 C LYS B 7 -15.793 4.726 4.714 1.00 0.00 C ATOM 1428 O LYS B 7 -15.071 3.734 4.634 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.288 6.581 3.042 1.00 0.00 C ATOM 1430 CG LYS B 7 -16.174 8.078 2.731 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.020 8.403 1.817 1.00 0.00 C ATOM 1432 CE LYS B 7 -14.909 9.900 1.577 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.140 10.495 1.021 1.00 0.00 N ATOM 0 H LYS B 7 -13.758 5.102 3.128 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.359 6.814 4.900 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -16.112 6.024 2.122 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.312 6.371 3.351 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -17.102 8.420 2.272 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.058 8.630 3.664 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -14.092 8.033 2.254 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.152 7.889 0.865 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.667 10.395 2.518 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.081 10.091 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.949 11.473 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.455 9.938 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.885 10.493 1.747 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.953 4.688 5.314 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.376 3.474 5.962 1.00 0.00 C ATOM 1449 C ARG B 8 -18.460 2.776 5.142 1.00 0.00 C ATOM 1450 O ARG B 8 -19.539 3.323 4.913 1.00 0.00 O ATOM 1451 CB ARG B 8 -17.845 3.727 7.407 1.00 0.00 C ATOM 1452 CG ARG B 8 -17.900 2.449 8.238 1.00 0.00 C ATOM 1453 CD ARG B 8 -18.224 2.702 9.707 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.069 1.463 10.511 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.390 1.322 11.817 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.926 2.333 12.487 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -18.170 0.164 12.439 1.00 0.00 N ATOM 0 H ARG B 8 -17.611 5.466 5.368 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.511 2.813 6.020 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.171 4.438 7.885 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.833 4.187 7.389 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -18.651 1.781 7.817 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -16.941 1.935 8.167 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -17.566 3.478 10.099 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.245 3.073 9.799 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.686 0.646 10.036 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.098 3.222 12.017 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.166 2.222 13.472 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.759 -0.618 11.930 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.413 0.060 13.424 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.152 1.600 4.695 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.045 0.788 3.904 1.00 0.00 C ATOM 1473 C TRP B 9 -19.677 -0.209 4.848 1.00 0.00 C ATOM 1474 O TRP B 9 -19.046 -1.210 5.224 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.217 0.083 2.825 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.953 -0.705 1.793 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.275 -0.662 1.501 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.378 -1.643 0.869 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.539 -1.463 0.444 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.419 -2.092 0.055 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.087 -2.143 0.638 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.235 -3.000 -0.952 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.911 -3.049 -0.365 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -17.987 -3.466 -1.148 1.00 0.00 C ATOM 0 H TRP B 9 -17.249 1.159 4.871 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.823 1.373 3.413 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.623 0.838 2.310 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.517 -0.588 3.323 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.009 -0.075 2.033 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.454 -1.573 0.007 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.252 -1.817 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.060 -3.330 -1.566 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.926 -3.449 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.814 -4.185 -1.936 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.872 0.103 5.298 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.508 -0.711 6.287 1.00 0.00 C ATOM 1497 C GLY B 10 -20.794 -0.511 7.595 1.00 0.00 C ATOM 1498 O GLY B 10 -20.620 0.633 8.038 1.00 0.00 O ATOM 0 H GLY B 10 -21.413 0.911 4.992 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.559 -0.440 6.383 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.475 -1.760 5.993 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.363 -1.569 8.204 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.553 -1.448 9.406 1.00 0.00 C ATOM 1504 C ASN B 11 -18.055 -1.586 9.120 1.00 0.00 C ATOM 1505 O ASN B 11 -17.253 -1.665 10.049 1.00 0.00 O ATOM 1506 CB ASN B 11 -19.987 -2.450 10.476 1.00 0.00 C ATOM 1507 CG ASN B 11 -21.314 -2.099 11.106 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -21.676 -0.918 11.220 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -22.052 -3.096 11.523 1.00 0.00 N ATOM 0 H ASN B 11 -20.548 -2.526 7.904 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.720 -0.440 9.787 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.053 -3.443 10.031 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.223 -2.498 11.252 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -22.956 -2.914 11.958 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -21.723 -4.055 11.413 1.00 0.00 H new ATOM 1516 N SER B 12 -17.656 -1.491 7.866 1.00 0.00 N ATOM 1517 CA SER B 12 -16.320 -1.725 7.495 1.00 0.00 C ATOM 1518 C SER B 12 -15.736 -0.492 6.809 1.00 0.00 C ATOM 1519 O SER B 12 -16.326 0.032 5.882 1.00 0.00 O ATOM 1520 CB SER B 12 -16.289 -2.917 6.542 1.00 0.00 C ATOM 1521 OG SER B 12 -14.998 -3.130 5.981 1.00 0.00 O ATOM 0 H SER B 12 -18.271 -1.247 7.090 1.00 0.00 H new ATOM 0 HA SER B 12 -15.721 -1.936 8.381 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.603 -3.814 7.076 1.00 0.00 H new ATOM 0 HB3 SER B 12 -17.009 -2.756 5.739 1.00 0.00 H new ATOM 0 HG SER B 12 -14.875 -4.084 5.796 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.614 0.014 7.303 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.872 1.070 6.625 1.00 0.00 C ATOM 1529 C PRO B 13 -13.443 0.586 5.236 1.00 0.00 C ATOM 1530 O PRO B 13 -12.884 -0.519 5.096 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.628 1.295 7.491 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.834 0.527 8.757 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.010 -0.393 8.564 1.00 0.00 C ATOM 0 HA PRO B 13 -14.464 1.977 6.499 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.731 0.954 6.974 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.491 2.356 7.701 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.940 -0.046 9.004 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -13.016 1.207 9.589 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.692 -1.435 8.530 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.719 -0.303 9.387 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.736 1.355 4.226 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.396 0.988 2.895 1.00 0.00 C ATOM 1543 C ALA B 14 -12.755 2.150 2.173 1.00 0.00 C ATOM 1544 O ALA B 14 -13.162 3.318 2.341 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.624 0.498 2.150 1.00 0.00 C ATOM 0 H ALA B 14 -14.216 2.251 4.309 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.674 0.173 2.933 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.346 0.221 1.133 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.038 -0.371 2.662 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.371 1.291 2.119 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.743 1.848 1.420 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.053 2.836 0.635 1.00 0.00 C ATOM 1553 C VAL B 15 -11.376 2.612 -0.827 1.00 0.00 C ATOM 1554 O VAL B 15 -11.456 1.465 -1.280 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.507 2.812 0.878 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.776 3.818 -0.009 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.204 3.105 2.336 1.00 0.00 C ATOM 0 H VAL B 15 -11.367 0.904 1.329 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.395 3.824 0.943 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.151 1.815 0.620 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.706 3.769 0.191 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.961 3.581 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.139 4.823 0.205 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.126 3.086 2.494 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.592 4.090 2.597 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.677 2.350 2.965 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.618 3.695 -1.526 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.923 3.673 -2.930 1.00 0.00 C ATOM 1569 C ARG B 16 -10.660 3.591 -3.766 1.00 0.00 C ATOM 1570 O ARG B 16 -9.808 4.479 -3.712 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.703 4.914 -3.305 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.114 4.931 -2.808 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.814 6.179 -3.274 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.234 6.202 -2.922 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.934 7.305 -2.623 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.334 8.501 -2.585 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.231 7.213 -2.369 1.00 0.00 N ATOM 0 H ARG B 16 -11.607 4.632 -1.124 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.524 2.786 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.182 5.788 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.712 5.008 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.645 4.051 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.124 4.885 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.323 7.049 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.712 6.264 -4.356 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.729 5.310 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.337 8.578 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -16.874 9.336 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.694 6.305 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.767 8.051 -2.141 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.541 2.537 -4.517 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.415 2.332 -5.395 1.00 0.00 C ATOM 1593 C ILE B 17 -9.822 2.674 -6.835 1.00 0.00 C ATOM 1594 O ILE B 17 -10.935 2.344 -7.259 1.00 0.00 O ATOM 1595 CB ILE B 17 -8.849 0.850 -5.297 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.018 0.618 -4.033 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.038 0.439 -6.492 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -8.793 0.604 -2.775 1.00 0.00 C ATOM 0 H ILE B 17 -11.228 1.783 -4.542 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.609 2.995 -5.082 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.742 0.227 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.493 -0.332 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.258 1.397 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.684 -0.583 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.657 0.493 -7.388 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.184 1.108 -6.600 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.120 0.433 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.297 1.562 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.535 -0.194 -2.813 1.00 0.00 H new ATOM 1610 N PRO B 18 -8.979 3.423 -7.571 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.225 3.715 -8.980 1.00 0.00 C ATOM 1612 C PRO B 18 -9.243 2.423 -9.801 1.00 0.00 C ATOM 1613 O PRO B 18 -8.273 1.638 -9.770 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.029 4.596 -9.401 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.000 4.397 -8.336 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.749 4.070 -7.078 1.00 0.00 C ATOM 0 HA PRO B 18 -10.186 4.203 -9.141 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.647 4.300 -10.378 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.319 5.644 -9.477 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.317 3.590 -8.602 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.397 5.296 -8.206 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.177 3.405 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.971 4.966 -6.498 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.323 2.206 -10.545 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.497 0.984 -11.332 1.00 0.00 C ATOM 1626 C ALA B 19 -9.390 0.808 -12.359 1.00 0.00 C ATOM 1627 O ALA B 19 -9.032 -0.309 -12.709 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.856 0.948 -11.989 1.00 0.00 C ATOM 0 H ALA B 19 -11.098 2.865 -10.621 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.433 0.144 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.957 0.029 -12.567 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.631 0.982 -11.224 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.963 1.807 -12.652 1.00 0.00 H new ATOM 1634 N THR B 20 -8.838 1.914 -12.795 1.00 0.00 N ATOM 1635 CA THR B 20 -7.738 1.954 -13.732 1.00 0.00 C ATOM 1636 C THR B 20 -6.510 1.175 -13.187 1.00 0.00 C ATOM 1637 O THR B 20 -5.813 0.492 -13.928 1.00 0.00 O ATOM 1638 CB THR B 20 -7.373 3.426 -13.950 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.583 4.145 -14.227 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.419 3.597 -15.114 1.00 0.00 C ATOM 0 H THR B 20 -9.150 2.839 -12.500 1.00 0.00 H new ATOM 0 HA THR B 20 -8.031 1.482 -14.670 1.00 0.00 H new ATOM 0 HB THR B 20 -6.879 3.805 -13.055 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.375 5.092 -14.369 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.183 4.654 -15.238 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.502 3.041 -14.918 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.885 3.220 -16.024 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.307 1.236 -11.878 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.169 0.577 -11.237 1.00 0.00 C ATOM 1650 C LEU B 21 -5.410 -0.868 -11.081 1.00 0.00 C ATOM 1651 O LEU B 21 -4.489 -1.667 -11.113 1.00 0.00 O ATOM 1652 CB LEU B 21 -4.862 1.197 -9.900 1.00 0.00 C ATOM 1653 CG LEU B 21 -3.950 2.406 -9.918 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.517 1.986 -10.229 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.408 3.439 -10.925 1.00 0.00 C ATOM 0 H LEU B 21 -6.918 1.737 -11.233 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.306 0.716 -11.888 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.803 1.485 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.409 0.436 -9.265 1.00 0.00 H new ATOM 0 HG LEU B 21 -3.990 2.858 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.874 2.866 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.168 1.290 -9.466 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.483 1.502 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.728 4.291 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.412 2.998 -11.922 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.414 3.773 -10.672 1.00 0.00 H new ATOM 1667 N MET B 22 -6.648 -1.200 -10.896 1.00 0.00 N ATOM 1668 CA MET B 22 -7.055 -2.604 -10.850 1.00 0.00 C ATOM 1669 C MET B 22 -6.654 -3.264 -12.133 1.00 0.00 C ATOM 1670 O MET B 22 -6.047 -4.324 -12.137 1.00 0.00 O ATOM 1671 CB MET B 22 -8.541 -2.776 -10.709 1.00 0.00 C ATOM 1672 CG MET B 22 -9.186 -2.096 -9.546 1.00 0.00 C ATOM 1673 SD MET B 22 -10.885 -2.616 -9.384 1.00 0.00 S ATOM 1674 CE MET B 22 -10.648 -4.339 -9.040 1.00 0.00 C ATOM 0 H MET B 22 -7.409 -0.532 -10.772 1.00 0.00 H new ATOM 0 HA MET B 22 -6.570 -3.047 -9.980 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.014 -2.413 -11.621 1.00 0.00 H new ATOM 0 HB3 MET B 22 -8.756 -3.843 -10.642 1.00 0.00 H new ATOM 0 HG2 MET B 22 -8.639 -2.328 -8.632 1.00 0.00 H new ATOM 0 HG3 MET B 22 -9.141 -1.015 -9.678 1.00 0.00 H new ATOM 0 HE1 MET B 22 -11.614 -4.810 -8.857 1.00 0.00 H new ATOM 0 HE2 MET B 22 -10.167 -4.817 -9.893 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.017 -4.451 -8.158 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.991 -2.598 -13.207 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.668 -3.023 -14.555 1.00 0.00 C ATOM 1686 C GLN B 23 -5.170 -3.088 -14.752 1.00 0.00 C ATOM 1687 O GLN B 23 -4.659 -3.991 -15.415 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.273 -2.054 -15.548 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.769 -1.937 -15.417 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.368 -0.898 -16.335 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.729 0.098 -16.674 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.594 -1.094 -16.714 1.00 0.00 N ATOM 0 H GLN B 23 -7.511 -1.721 -13.173 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.080 -4.019 -14.716 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.823 -1.071 -15.409 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.026 -2.377 -16.559 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.223 -2.905 -15.630 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.018 -1.688 -14.386 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -11.093 -1.931 -16.414 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -11.058 -0.411 -17.312 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.470 -2.162 -14.122 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.023 -2.086 -14.250 1.00 0.00 C ATOM 1703 C ALA B 24 -2.360 -3.264 -13.547 1.00 0.00 C ATOM 1704 O ALA B 24 -1.329 -3.783 -13.992 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.499 -0.766 -13.700 1.00 0.00 C ATOM 0 H ALA B 24 -4.879 -1.451 -13.516 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.772 -2.134 -15.310 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.415 -0.732 -13.807 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.944 0.061 -14.253 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.763 -0.681 -12.646 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.972 -3.696 -12.472 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.472 -4.786 -11.686 1.00 0.00 C ATOM 1713 C LEU B 25 -3.133 -6.106 -12.087 1.00 0.00 C ATOM 1714 O LEU B 25 -2.833 -7.155 -11.536 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.720 -4.469 -10.233 1.00 0.00 C ATOM 1716 CG LEU B 25 -2.046 -3.191 -9.734 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.487 -2.879 -8.340 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.533 -3.306 -9.807 1.00 0.00 C ATOM 0 H LEU B 25 -3.840 -3.294 -12.118 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.403 -4.908 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.795 -4.383 -10.072 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.373 -5.307 -9.628 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.349 -2.371 -10.385 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.998 -1.966 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.568 -2.740 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.217 -3.703 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.080 -2.383 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.201 -4.139 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.231 -3.479 -10.840 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.049 -6.019 -13.057 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.784 -7.169 -13.644 1.00 0.00 C ATOM 1732 C ASN B 26 -5.632 -7.916 -12.614 1.00 0.00 C ATOM 1733 O ASN B 26 -5.970 -9.105 -12.800 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.844 -8.146 -14.388 1.00 0.00 C ATOM 1735 CG ASN B 26 -3.090 -7.494 -15.529 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -3.599 -7.380 -16.652 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -1.866 -7.119 -15.282 1.00 0.00 N ATOM 0 H ASN B 26 -4.315 -5.127 -13.474 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.467 -6.738 -14.376 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.129 -8.563 -13.679 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.430 -8.979 -14.777 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -1.296 -6.717 -16.026 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -1.479 -7.228 -14.345 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.019 -7.222 -11.570 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.823 -7.785 -10.547 1.00 0.00 C ATOM 1746 C LEU B 27 -8.235 -7.261 -10.698 1.00 0.00 C ATOM 1747 O LEU B 27 -8.462 -6.215 -11.316 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.201 -7.487 -9.172 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.186 -6.040 -8.671 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.402 -5.761 -7.816 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -4.922 -5.759 -7.894 1.00 0.00 C ATOM 0 H LEU B 27 -5.775 -6.243 -11.419 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.868 -8.871 -10.631 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.730 -8.088 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.170 -7.841 -9.192 1.00 0.00 H new ATOM 0 HG LEU B 27 -6.213 -5.379 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.374 -4.728 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.305 -5.922 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.405 -6.432 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.931 -4.726 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.865 -6.430 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.057 -5.918 -8.537 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.160 -7.959 -10.141 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.556 -7.670 -10.342 1.00 0.00 C ATOM 1765 C ASN B 28 -11.326 -7.700 -9.054 1.00 0.00 C ATOM 1766 O ASN B 28 -10.777 -7.994 -7.989 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.166 -8.681 -11.328 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.747 -10.116 -11.035 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -9.759 -10.615 -11.588 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -11.437 -10.766 -10.145 1.00 0.00 N ATOM 0 H ASN B 28 -8.980 -8.754 -9.527 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.625 -6.662 -10.752 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -12.253 -8.609 -11.289 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -10.865 -8.419 -12.342 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -11.168 -11.715 -9.885 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -12.247 -10.327 -9.707 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.590 -7.365 -9.158 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.511 -7.418 -8.057 1.00 0.00 C ATOM 1779 C ILE B 29 -13.703 -8.886 -7.663 1.00 0.00 C ATOM 1780 O ILE B 29 -13.697 -9.768 -8.543 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.888 -6.770 -8.457 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -14.752 -5.253 -8.742 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.982 -7.018 -7.413 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.200 -4.436 -7.590 1.00 0.00 C ATOM 0 H ILE B 29 -13.011 -7.042 -10.029 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.114 -6.855 -7.213 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.193 -7.267 -9.378 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.105 -5.117 -9.608 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -15.732 -4.859 -9.012 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.910 -6.549 -7.740 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.138 -8.091 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.677 -6.591 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.141 -3.388 -7.883 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.857 -4.535 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.204 -4.797 -7.332 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.793 -9.119 -6.354 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.988 -10.430 -5.709 1.00 0.00 C ATOM 1798 C ASP B 30 -12.665 -11.177 -5.559 1.00 0.00 C ATOM 1799 O ASP B 30 -12.603 -12.278 -5.000 1.00 0.00 O ATOM 1800 CB ASP B 30 -15.100 -11.282 -6.400 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.385 -12.619 -5.724 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.898 -12.630 -4.578 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -15.109 -13.686 -6.332 1.00 0.00 O ATOM 0 H ASP B 30 -13.729 -8.362 -5.673 1.00 0.00 H new ATOM 0 HA ASP B 30 -14.358 -10.243 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -16.021 -10.700 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.808 -11.467 -7.434 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.571 -10.536 -5.953 1.00 0.00 N ATOM 1809 CA ASP B 31 -10.315 -11.194 -5.870 1.00 0.00 C ATOM 1810 C ASP B 31 -9.688 -10.872 -4.542 1.00 0.00 C ATOM 1811 O ASP B 31 -10.021 -9.849 -3.920 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.377 -10.829 -7.014 1.00 0.00 C ATOM 1813 CG ASP B 31 -8.479 -11.998 -7.331 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.482 -12.201 -6.649 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -8.813 -12.796 -8.235 1.00 0.00 O ATOM 0 H ASP B 31 -11.547 -9.585 -6.321 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.489 -12.267 -5.957 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.955 -10.553 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.777 -9.961 -6.741 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.786 -11.692 -4.143 1.00 0.00 N ATOM 1821 CA GLU B 32 -8.189 -11.660 -2.854 1.00 0.00 C ATOM 1822 C GLU B 32 -6.863 -10.915 -2.909 1.00 0.00 C ATOM 1823 O GLU B 32 -6.063 -11.126 -3.820 1.00 0.00 O ATOM 1824 CB GLU B 32 -8.018 -13.107 -2.366 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.331 -13.250 -1.031 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.226 -14.682 -0.582 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -8.232 -15.250 -0.132 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -6.155 -15.287 -0.712 1.00 0.00 O ATOM 0 H GLU B 32 -8.425 -12.441 -4.734 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.824 -11.124 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -9.002 -13.573 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.449 -13.662 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.332 -12.819 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.879 -12.678 -0.282 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.635 -10.029 -1.951 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.416 -9.252 -1.940 1.00 0.00 C ATOM 1837 C VAL B 33 -4.755 -9.283 -0.565 1.00 0.00 C ATOM 1838 O VAL B 33 -5.423 -9.550 0.453 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.601 -7.760 -2.423 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.411 -7.687 -3.684 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.228 -6.867 -1.369 1.00 0.00 C ATOM 0 H VAL B 33 -7.274 -9.835 -1.180 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.762 -9.732 -2.668 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.594 -7.390 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.518 -6.646 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.907 -8.245 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.397 -8.117 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.328 -5.855 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.213 -7.253 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.594 -6.851 -0.482 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.456 -9.059 -0.547 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.684 -8.989 0.672 1.00 0.00 C ATOM 1853 C LYS B 34 -2.595 -7.577 1.187 1.00 0.00 C ATOM 1854 O LYS B 34 -2.106 -6.683 0.483 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.243 -9.421 0.414 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.017 -10.877 0.124 1.00 0.00 C ATOM 1857 CD LYS B 34 0.369 -11.108 -0.488 1.00 0.00 C ATOM 1858 CE LYS B 34 1.489 -10.441 0.317 1.00 0.00 C ATOM 1859 NZ LYS B 34 1.583 -10.946 1.685 1.00 0.00 N ATOM 0 H LYS B 34 -2.902 -8.919 -1.392 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.186 -9.638 1.390 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.860 -8.843 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.646 -9.151 1.285 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.113 -11.454 1.044 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.785 -11.238 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.560 -12.179 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.380 -10.722 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS B 34 2.440 -10.602 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.320 -9.365 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.262 -10.369 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 0.649 -10.894 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.905 -11.935 1.669 1.00 0.00 H new ATOM 1873 N ILE B 35 -3.065 -7.364 2.378 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.737 -6.160 3.073 1.00 0.00 C ATOM 1875 C ILE B 35 -1.520 -6.516 3.898 1.00 0.00 C ATOM 1876 O ILE B 35 -1.621 -7.165 4.954 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.890 -5.575 3.975 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.036 -4.968 3.137 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.362 -4.530 4.940 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.879 -5.965 2.401 1.00 0.00 C ATOM 0 H ILE B 35 -3.674 -8.006 2.886 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.559 -5.358 2.357 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.289 -6.416 4.542 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.680 -4.387 3.797 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.609 -4.272 2.415 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.183 -4.147 5.547 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.611 -4.980 5.589 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.913 -3.711 4.379 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.656 -5.443 1.842 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.254 -6.531 1.711 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.342 -6.647 3.114 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.380 -6.213 3.360 1.00 0.00 N ATOM 1893 CA ASP B 36 0.864 -6.589 3.979 1.00 0.00 C ATOM 1894 C ASP B 36 1.373 -5.382 4.717 1.00 0.00 C ATOM 1895 O ASP B 36 1.147 -4.256 4.279 1.00 0.00 O ATOM 1896 CB ASP B 36 1.870 -7.063 2.910 1.00 0.00 C ATOM 1897 CG ASP B 36 2.966 -7.953 3.467 1.00 0.00 C ATOM 1898 OD1 ASP B 36 3.918 -7.451 4.059 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.890 -9.203 3.283 1.00 0.00 O ATOM 0 H ASP B 36 -0.279 -5.701 2.484 1.00 0.00 H new ATOM 0 HA ASP B 36 0.725 -7.419 4.672 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.333 -7.604 2.131 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.324 -6.192 2.438 1.00 0.00 H new ATOM 1904 N LEU B 37 1.985 -5.578 5.838 1.00 0.00 N ATOM 1905 CA LEU B 37 2.398 -4.517 6.625 1.00 0.00 C ATOM 1906 C LEU B 37 3.889 -4.312 6.450 1.00 0.00 C ATOM 1907 O LEU B 37 4.699 -5.231 6.667 1.00 0.00 O ATOM 1908 CB LEU B 37 2.056 -4.833 8.065 1.00 0.00 C ATOM 1909 CG LEU B 37 1.581 -3.672 8.913 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.546 -2.542 8.864 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.184 -3.248 8.519 1.00 0.00 C ATOM 0 H LEU B 37 2.204 -6.499 6.218 1.00 0.00 H new ATOM 0 HA LEU B 37 1.894 -3.596 6.332 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.282 -5.601 8.072 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.938 -5.265 8.539 1.00 0.00 H new ATOM 0 HG LEU B 37 1.534 -4.004 9.950 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.179 -1.723 9.482 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.514 -2.874 9.239 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.654 -2.200 7.835 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.132 -2.413 9.144 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.178 -2.941 7.473 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.502 -4.084 8.656 1.00 0.00 H new ATOM 1923 N VAL B 38 4.231 -3.119 6.082 1.00 0.00 N ATOM 1924 CA VAL B 38 5.617 -2.722 5.839 1.00 0.00 C ATOM 1925 C VAL B 38 5.793 -1.299 6.327 1.00 0.00 C ATOM 1926 O VAL B 38 4.948 -0.443 6.041 1.00 0.00 O ATOM 1927 CB VAL B 38 6.005 -2.745 4.320 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.489 -2.445 4.119 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.625 -4.051 3.634 1.00 0.00 C ATOM 0 H VAL B 38 3.558 -2.367 5.934 1.00 0.00 H new ATOM 0 HA VAL B 38 6.254 -3.434 6.363 1.00 0.00 H new ATOM 0 HB VAL B 38 5.424 -1.954 3.846 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.724 -2.469 3.055 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.718 -1.457 4.519 1.00 0.00 H new ATOM 0 HG13 VAL B 38 8.085 -3.194 4.639 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.918 -4.009 2.585 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.138 -4.880 4.121 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.547 -4.199 3.705 1.00 0.00 H new ATOM 1939 N ASP B 39 6.849 -1.061 7.106 1.00 0.00 N ATOM 1940 CA ASP B 39 7.206 0.282 7.627 1.00 0.00 C ATOM 1941 C ASP B 39 6.106 0.901 8.466 1.00 0.00 C ATOM 1942 O ASP B 39 6.071 2.118 8.663 1.00 0.00 O ATOM 1943 CB ASP B 39 7.617 1.262 6.505 1.00 0.00 C ATOM 1944 CG ASP B 39 9.023 1.052 6.001 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.973 1.442 6.702 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.208 0.516 4.882 1.00 0.00 O ATOM 0 H ASP B 39 7.494 -1.794 7.402 1.00 0.00 H new ATOM 0 HA ASP B 39 8.068 0.113 8.272 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.922 1.158 5.671 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.521 2.283 6.874 1.00 0.00 H new ATOM 1951 N GLY B 40 5.237 0.073 8.984 1.00 0.00 N ATOM 1952 CA GLY B 40 4.165 0.551 9.813 1.00 0.00 C ATOM 1953 C GLY B 40 2.941 1.000 9.035 1.00 0.00 C ATOM 1954 O GLY B 40 1.953 1.407 9.643 1.00 0.00 O ATOM 0 H GLY B 40 5.252 -0.937 8.845 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.874 -0.239 10.505 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.527 1.385 10.414 1.00 0.00 H new ATOM 1958 N LYS B 41 2.975 0.898 7.709 1.00 0.00 N ATOM 1959 CA LYS B 41 1.853 1.355 6.907 1.00 0.00 C ATOM 1960 C LYS B 41 1.243 0.219 6.112 1.00 0.00 C ATOM 1961 O LYS B 41 1.838 -0.866 5.992 1.00 0.00 O ATOM 1962 CB LYS B 41 2.246 2.564 6.017 1.00 0.00 C ATOM 1963 CG LYS B 41 3.338 2.319 4.987 1.00 0.00 C ATOM 1964 CD LYS B 41 4.044 3.630 4.637 1.00 0.00 C ATOM 1965 CE LYS B 41 5.237 3.408 3.719 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.982 4.668 3.449 1.00 0.00 N ATOM 0 H LYS B 41 3.754 0.509 7.178 1.00 0.00 H new ATOM 0 HA LYS B 41 1.078 1.710 7.587 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.354 2.907 5.494 1.00 0.00 H new ATOM 0 HB3 LYS B 41 2.567 3.377 6.668 1.00 0.00 H new ATOM 0 HG2 LYS B 41 4.061 1.602 5.377 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.907 1.879 4.088 1.00 0.00 H new ATOM 0 HD2 LYS B 41 3.337 4.305 4.155 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.377 4.118 5.553 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.910 2.680 4.171 1.00 0.00 H new ATOM 0 HE3 LYS B 41 4.893 2.982 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.540 4.562 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.308 5.452 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 6.619 4.872 4.245 1.00 0.00 H new ATOM 1980 N LEU B 42 0.066 0.465 5.580 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.674 -0.537 4.853 1.00 0.00 C ATOM 1982 C LEU B 42 -0.210 -0.584 3.443 1.00 0.00 C ATOM 1983 O LEU B 42 -0.157 0.425 2.746 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.167 -0.255 4.923 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.735 -0.255 6.312 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.114 0.383 6.332 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.812 -1.659 6.867 1.00 0.00 C ATOM 0 H LEU B 42 -0.404 1.368 5.641 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.495 -1.510 5.311 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.363 0.714 4.464 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.693 -1.002 4.329 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.066 0.332 6.941 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.505 0.372 7.349 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.044 1.413 5.982 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.784 -0.177 5.679 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.227 -1.630 7.874 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.452 -2.268 6.228 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.813 -2.093 6.899 1.00 0.00 H new ATOM 1999 N ILE B 43 0.152 -1.724 3.044 1.00 0.00 N ATOM 2000 CA ILE B 43 0.685 -1.936 1.729 1.00 0.00 C ATOM 2001 C ILE B 43 -0.229 -2.880 0.971 1.00 0.00 C ATOM 2002 O ILE B 43 -0.717 -3.868 1.541 1.00 0.00 O ATOM 2003 CB ILE B 43 2.100 -2.541 1.829 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.023 -1.684 2.706 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.719 -2.811 0.478 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.177 -0.232 2.298 1.00 0.00 C ATOM 0 H ILE B 43 0.095 -2.568 3.614 1.00 0.00 H new ATOM 0 HA ILE B 43 0.747 -0.985 1.200 1.00 0.00 H new ATOM 0 HB ILE B 43 1.982 -3.509 2.316 1.00 0.00 H new ATOM 0 HG12 ILE B 43 2.648 -1.714 3.729 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.011 -2.144 2.715 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.714 -3.236 0.612 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.095 -3.514 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.795 -1.878 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE B 43 3.851 0.271 2.991 1.00 0.00 H new ATOM 0 HD12 ILE B 43 3.587 -0.179 1.290 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.203 0.257 2.320 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.460 -2.592 -0.291 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.354 -3.394 -1.091 1.00 0.00 C ATOM 2020 C ILE B 44 -0.578 -4.104 -2.171 1.00 0.00 C ATOM 2021 O ILE B 44 -0.012 -3.487 -3.079 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.521 -2.575 -1.723 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.408 -1.953 -0.633 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.362 -3.454 -2.666 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.565 -1.132 -1.177 1.00 0.00 C ATOM 0 H ILE B 44 -0.039 -1.805 -0.785 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.812 -4.118 -0.417 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.083 -1.767 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.805 -2.749 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.793 -1.318 0.004 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.169 -2.860 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.730 -3.837 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.784 -4.289 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -5.145 -0.726 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.177 -0.314 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -5.205 -1.767 -1.791 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.547 -5.376 -2.047 1.00 0.00 N ATOM 2038 CA GLU B 45 0.123 -6.248 -2.952 1.00 0.00 C ATOM 2039 C GLU B 45 -0.877 -7.368 -3.204 1.00 0.00 C ATOM 2040 O GLU B 45 -1.488 -7.851 -2.253 1.00 0.00 O ATOM 2041 CB GLU B 45 1.405 -6.722 -2.241 1.00 0.00 C ATOM 2042 CG GLU B 45 2.319 -7.679 -2.975 1.00 0.00 C ATOM 2043 CD GLU B 45 3.581 -7.938 -2.180 1.00 0.00 C ATOM 2044 OE1 GLU B 45 4.473 -7.045 -2.154 1.00 0.00 O ATOM 2045 OE2 GLU B 45 3.704 -9.008 -1.552 1.00 0.00 O ATOM 0 H GLU B 45 -1.006 -5.867 -1.280 1.00 0.00 H new ATOM 0 HA GLU B 45 0.424 -5.808 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.988 -5.838 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.110 -7.196 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU B 45 1.798 -8.620 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.577 -7.266 -3.950 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.132 -7.775 -4.445 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.176 -8.702 -4.715 1.00 0.00 C ATOM 2054 C PRO B 46 -1.771 -10.121 -4.424 1.00 0.00 C ATOM 2055 O PRO B 46 -0.594 -10.416 -4.150 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.489 -8.524 -6.199 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.537 -7.499 -6.686 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.419 -7.444 -5.667 1.00 0.00 C ATOM 0 HA PRO B 46 -3.040 -8.513 -4.078 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.366 -9.462 -6.741 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.520 -8.203 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.153 -7.761 -7.672 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.025 -6.529 -6.782 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.374 -8.159 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO B 46 0.045 -6.459 -5.618 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.716 -10.988 -4.467 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.440 -12.369 -4.258 1.00 0.00 C ATOM 2068 C VAL B 47 -2.393 -12.993 -5.605 1.00 0.00 C ATOM 2069 O VAL B 47 -3.371 -12.963 -6.345 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.474 -13.119 -3.377 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -3.025 -14.524 -3.163 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.616 -12.488 -2.032 1.00 0.00 C ATOM 0 H VAL B 47 -3.696 -10.767 -4.646 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.502 -12.444 -3.708 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.430 -13.079 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.753 -15.048 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.937 -15.028 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -2.056 -14.524 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -4.349 -13.042 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.654 -12.504 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.949 -11.456 -2.147 1.00 0.00 H new