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 28:sc= 1.67 USER MOD Set 1.2: B 7 LYS NZ :NH3+ -174:sc= 2.42 (180deg=1.19) USER MOD Set 2.1: A 5 SER OG : rot 31:sc= 1.77 USER MOD Set 2.2: A 7 LYS NZ :NH3+ -153:sc= 2.38 (180deg=1.06) USER MOD Single : A 3 HIS : no HE2:sc= 0.557 K(o=0.56,f=-3.8!) USER MOD Single : A 4 SER OG : rot -61:sc= -0.866! USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 22 MET CE :methyl -130:sc= -0.623 (180deg=-1.43) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.026 F(o=-2.3!,f=-0.026) USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.03) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 1.16 (180deg=0.975) USER MOD Single : B 3 HIS : no HE2:sc= 0.991 K(o=0.99,f=-5.6!) USER MOD Single : B 4 SER OG : rot -62:sc= -1.2! USER MOD Single : B 11 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.023 USER MOD Single : B 22 MET CE :methyl -132:sc= -0.521 (180deg=-1.15) USER MOD Single : B 23 GLN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN :FLIP amide:sc= -0.0487 F(o=-2.3!,f=-0.049) USER MOD Single : B 34 LYS NZ :NH3+ 175:sc= 0.999 (180deg=0.965) USER MOD Single : B 41 LYS NZ :NH3+ -141:sc= 1.17 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.235 -9.825 5.598 1.00 0.00 N ATOM 280 CA ILE A 2 -3.682 -9.851 5.793 1.00 0.00 C ATOM 281 C ILE A 2 -4.390 -10.027 4.453 1.00 0.00 C ATOM 282 O ILE A 2 -4.310 -9.163 3.595 1.00 0.00 O ATOM 283 CB ILE A 2 -4.195 -8.545 6.487 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.485 -8.336 7.838 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.715 -8.593 6.684 1.00 0.00 C ATOM 286 CD1 ILE A 2 -3.852 -7.041 8.544 1.00 0.00 C ATOM 0 HA ILE A 2 -3.910 -10.695 6.444 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.961 -7.702 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.723 -9.174 8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.407 -8.355 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.048 -7.675 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.205 -8.691 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.974 -9.447 7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.308 -6.974 9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.588 -6.194 7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.924 -7.026 8.742 1.00 0.00 H new ATOM 298 N HIS A 3 -5.067 -11.142 4.270 1.00 0.00 N ATOM 299 CA HIS A 3 -5.799 -11.382 3.031 1.00 0.00 C ATOM 300 C HIS A 3 -7.179 -10.751 3.130 1.00 0.00 C ATOM 301 O HIS A 3 -7.789 -10.737 4.203 1.00 0.00 O ATOM 302 CB HIS A 3 -5.880 -12.888 2.674 1.00 0.00 C ATOM 303 CG HIS A 3 -4.572 -13.498 2.191 1.00 0.00 C ATOM 304 ND1 HIS A 3 -4.397 -14.075 0.940 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.373 -13.636 2.821 1.00 0.00 C ATOM 306 CE1 HIS A 3 -3.141 -14.524 0.864 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.479 -14.283 1.978 1.00 0.00 N ATOM 0 H HIS A 3 -5.129 -11.895 4.955 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.251 -10.913 2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.219 -13.438 3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.636 -13.024 1.901 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.104 -14.144 0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.151 -13.295 3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.722 -15.020 0.001 1.00 0.00 H new ATOM 315 N SER A 4 -7.640 -10.205 2.042 1.00 0.00 N ATOM 316 CA SER A 4 -8.891 -9.482 2.001 1.00 0.00 C ATOM 317 C SER A 4 -9.602 -9.791 0.701 1.00 0.00 C ATOM 318 O SER A 4 -9.296 -10.777 0.051 1.00 0.00 O ATOM 319 CB SER A 4 -8.561 -8.008 2.010 1.00 0.00 C ATOM 320 OG SER A 4 -7.787 -7.701 0.874 1.00 0.00 O ATOM 0 H SER A 4 -7.157 -10.246 1.145 1.00 0.00 H new ATOM 0 HA SER A 4 -9.521 -9.760 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.477 -7.418 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.015 -7.751 2.918 1.00 0.00 H new ATOM 0 HG SER A 4 -6.947 -8.205 0.904 1.00 0.00 H new ATOM 326 N SER A 5 -10.505 -8.925 0.309 1.00 0.00 N ATOM 327 CA SER A 5 -11.178 -9.056 -0.927 1.00 0.00 C ATOM 328 C SER A 5 -11.787 -7.727 -1.311 1.00 0.00 C ATOM 329 O SER A 5 -12.386 -7.031 -0.480 1.00 0.00 O ATOM 330 CB SER A 5 -12.232 -10.167 -0.887 1.00 0.00 C ATOM 331 OG SER A 5 -12.768 -10.421 -2.188 1.00 0.00 O ATOM 0 H SER A 5 -10.784 -8.109 0.854 1.00 0.00 H new ATOM 0 HA SER A 5 -10.454 -9.347 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.787 -11.079 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.037 -9.884 -0.209 1.00 0.00 H new ATOM 0 HG SER A 5 -12.085 -10.233 -2.865 1.00 0.00 H new ATOM 337 N VAL A 6 -11.596 -7.369 -2.544 1.00 0.00 N ATOM 338 CA VAL A 6 -12.127 -6.143 -3.095 1.00 0.00 C ATOM 339 C VAL A 6 -13.529 -6.406 -3.540 1.00 0.00 C ATOM 340 O VAL A 6 -13.750 -7.216 -4.425 1.00 0.00 O ATOM 341 CB VAL A 6 -11.303 -5.669 -4.315 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.853 -4.373 -4.888 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.866 -5.503 -3.927 1.00 0.00 C ATOM 0 H VAL A 6 -11.060 -7.923 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.086 -5.366 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.378 -6.430 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.250 -4.069 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.884 -4.525 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.819 -3.595 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.292 -5.169 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.787 -4.763 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.471 -6.456 -3.576 1.00 0.00 H new ATOM 353 N LYS A 7 -14.464 -5.757 -2.954 1.00 0.00 N ATOM 354 CA LYS A 7 -15.826 -6.011 -3.300 1.00 0.00 C ATOM 355 C LYS A 7 -16.396 -4.811 -4.044 1.00 0.00 C ATOM 356 O LYS A 7 -15.712 -3.791 -4.212 1.00 0.00 O ATOM 357 CB LYS A 7 -16.657 -6.359 -2.064 1.00 0.00 C ATOM 358 CG LYS A 7 -16.210 -7.583 -1.268 1.00 0.00 C ATOM 359 CD LYS A 7 -16.080 -8.841 -2.117 1.00 0.00 C ATOM 360 CE LYS A 7 -15.854 -10.049 -1.227 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.401 -11.236 -1.975 1.00 0.00 N ATOM 0 H LYS A 7 -14.321 -5.048 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.868 -6.878 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.654 -5.497 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.689 -6.514 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.250 -7.370 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.925 -7.767 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.982 -8.982 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.250 -8.734 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.113 -9.800 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.780 -10.287 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.690 -12.097 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.828 -11.233 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.365 -11.217 -2.062 1.00 0.00 H new ATOM 375 N ARG A 8 -17.611 -4.923 -4.495 1.00 0.00 N ATOM 376 CA ARG A 8 -18.226 -3.883 -5.262 1.00 0.00 C ATOM 377 C ARG A 8 -19.200 -3.070 -4.409 1.00 0.00 C ATOM 378 O ARG A 8 -20.252 -3.569 -3.983 1.00 0.00 O ATOM 379 CB ARG A 8 -18.948 -4.491 -6.429 1.00 0.00 C ATOM 380 CG ARG A 8 -19.463 -3.493 -7.426 1.00 0.00 C ATOM 381 CD ARG A 8 -20.184 -4.208 -8.524 1.00 0.00 C ATOM 382 NE ARG A 8 -19.281 -4.986 -9.398 1.00 0.00 N ATOM 383 CZ ARG A 8 -19.394 -6.315 -9.655 1.00 0.00 C ATOM 384 NH1 ARG A 8 -20.292 -7.066 -9.006 1.00 0.00 N ATOM 385 NH2 ARG A 8 -18.600 -6.884 -10.547 1.00 0.00 N ATOM 0 H ARG A 8 -18.203 -5.739 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.450 -3.206 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.275 -5.181 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.786 -5.080 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.134 -2.787 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.636 -2.914 -7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.925 -4.878 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.727 -3.481 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.512 -4.485 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.903 -6.641 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.366 -8.063 -9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.904 -6.325 -11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.684 -7.882 -10.741 1.00 0.00 H new ATOM 399 N TRP A 9 -18.831 -1.852 -4.142 1.00 0.00 N ATOM 400 CA TRP A 9 -19.662 -0.905 -3.413 1.00 0.00 C ATOM 401 C TRP A 9 -20.336 -0.047 -4.462 1.00 0.00 C ATOM 402 O TRP A 9 -19.716 0.874 -5.012 1.00 0.00 O ATOM 403 CB TRP A 9 -18.772 -0.049 -2.472 1.00 0.00 C ATOM 404 CG TRP A 9 -19.474 0.926 -1.552 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.802 0.985 -1.272 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.866 1.984 -0.758 1.00 0.00 C ATOM 407 NE1 TRP A 9 -21.047 1.955 -0.356 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.909 2.590 -0.042 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.555 2.484 -0.570 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.716 3.633 0.822 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -17.378 3.533 0.298 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.467 4.095 0.977 1.00 0.00 C ATOM 0 H TRP A 9 -17.929 -1.470 -4.425 1.00 0.00 H new ATOM 0 HA TRP A 9 -20.404 -1.402 -2.789 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -18.181 -0.728 -1.857 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -18.072 0.514 -3.089 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.555 0.350 -1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.964 2.170 0.037 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.716 2.052 -1.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.543 4.070 1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -16.387 3.930 0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -18.295 4.926 1.646 1.00 0.00 H new ATOM 423 N GLY A 10 -21.551 -0.401 -4.812 1.00 0.00 N ATOM 424 CA GLY A 10 -22.221 0.272 -5.879 1.00 0.00 C ATOM 425 C GLY A 10 -21.699 -0.294 -7.157 1.00 0.00 C ATOM 426 O GLY A 10 -21.834 -1.492 -7.397 1.00 0.00 O ATOM 0 H GLY A 10 -22.086 -1.149 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -23.299 0.129 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.038 1.346 -5.831 1.00 0.00 H new ATOM 430 N ASN A 11 -21.092 0.525 -7.959 1.00 0.00 N ATOM 431 CA ASN A 11 -20.406 0.041 -9.156 1.00 0.00 C ATOM 432 C ASN A 11 -18.898 0.291 -9.044 1.00 0.00 C ATOM 433 O ASN A 11 -18.202 0.337 -10.061 1.00 0.00 O ATOM 434 CB ASN A 11 -20.934 0.728 -10.439 1.00 0.00 C ATOM 435 CG ASN A 11 -22.369 0.381 -10.819 1.00 0.00 C ATOM 436 OD1 ASN A 11 -23.220 0.131 -9.969 1.00 0.00 O ATOM 437 ND2 ASN A 11 -22.646 0.378 -12.095 1.00 0.00 N ATOM 0 H ASN A 11 -21.048 1.535 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.604 -1.028 -9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.861 1.808 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.281 0.461 -11.270 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.592 0.164 -12.411 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.917 0.590 -12.776 1.00 0.00 H new ATOM 444 N SER A 12 -18.369 0.363 -7.825 1.00 0.00 N ATOM 445 CA SER A 12 -17.019 0.750 -7.632 1.00 0.00 C ATOM 446 C SER A 12 -16.309 -0.227 -6.693 1.00 0.00 C ATOM 447 O SER A 12 -16.916 -0.754 -5.759 1.00 0.00 O ATOM 448 CB SER A 12 -16.990 2.163 -7.058 1.00 0.00 C ATOM 449 OG SER A 12 -17.697 3.070 -7.902 1.00 0.00 O ATOM 0 H SER A 12 -18.878 0.152 -6.966 1.00 0.00 H new ATOM 0 HA SER A 12 -16.494 0.734 -8.587 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.434 2.165 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.957 2.493 -6.947 1.00 0.00 H new ATOM 0 HG SER A 12 -17.667 3.969 -7.514 1.00 0.00 H new ATOM 455 N PRO A 13 -15.054 -0.525 -6.982 1.00 0.00 N ATOM 456 CA PRO A 13 -14.223 -1.385 -6.146 1.00 0.00 C ATOM 457 C PRO A 13 -13.881 -0.733 -4.801 1.00 0.00 C ATOM 458 O PRO A 13 -13.293 0.362 -4.744 1.00 0.00 O ATOM 459 CB PRO A 13 -12.955 -1.605 -6.985 1.00 0.00 C ATOM 460 CG PRO A 13 -12.931 -0.488 -7.970 1.00 0.00 C ATOM 461 CD PRO A 13 -14.358 -0.068 -8.182 1.00 0.00 C ATOM 0 HA PRO A 13 -14.733 -2.313 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.063 -1.595 -6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.980 -2.572 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.334 0.344 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.479 -0.809 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -14.440 1.012 -8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.776 -0.521 -9.081 1.00 0.00 H new ATOM 469 N ALA A 14 -14.267 -1.392 -3.739 1.00 0.00 N ATOM 470 CA ALA A 14 -14.012 -0.938 -2.417 1.00 0.00 C ATOM 471 C ALA A 14 -13.549 -2.108 -1.579 1.00 0.00 C ATOM 472 O ALA A 14 -14.094 -3.218 -1.683 1.00 0.00 O ATOM 473 CB ALA A 14 -15.263 -0.324 -1.820 1.00 0.00 C ATOM 0 H ALA A 14 -14.776 -2.275 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.236 -0.173 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.052 0.019 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.581 0.521 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -16.057 -1.070 -1.792 1.00 0.00 H new ATOM 479 N VAL A 15 -12.539 -1.895 -0.802 1.00 0.00 N ATOM 480 CA VAL A 15 -12.038 -2.925 0.065 1.00 0.00 C ATOM 481 C VAL A 15 -12.319 -2.500 1.496 1.00 0.00 C ATOM 482 O VAL A 15 -12.444 -1.300 1.773 1.00 0.00 O ATOM 483 CB VAL A 15 -10.501 -3.183 -0.153 1.00 0.00 C ATOM 484 CG1 VAL A 15 -9.640 -2.036 0.374 1.00 0.00 C ATOM 485 CG2 VAL A 15 -10.061 -4.520 0.441 1.00 0.00 C ATOM 0 H VAL A 15 -12.036 -1.010 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.539 -3.866 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.346 -3.232 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.588 -2.261 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.904 -1.115 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.813 -1.913 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.994 -4.661 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.260 -4.525 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.615 -5.329 -0.035 1.00 0.00 H new ATOM 495 N ARG A 16 -12.443 -3.450 2.382 1.00 0.00 N ATOM 496 CA ARG A 16 -12.692 -3.139 3.766 1.00 0.00 C ATOM 497 C ARG A 16 -11.372 -2.992 4.482 1.00 0.00 C ATOM 498 O ARG A 16 -10.578 -3.939 4.527 1.00 0.00 O ATOM 499 CB ARG A 16 -13.551 -4.207 4.482 1.00 0.00 C ATOM 500 CG ARG A 16 -15.040 -4.219 4.164 1.00 0.00 C ATOM 501 CD ARG A 16 -15.387 -4.872 2.862 1.00 0.00 C ATOM 502 NE ARG A 16 -14.842 -6.241 2.761 1.00 0.00 N ATOM 503 CZ ARG A 16 -15.574 -7.366 2.653 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.908 -7.316 2.690 1.00 0.00 N ATOM 505 NH2 ARG A 16 -14.960 -8.542 2.557 1.00 0.00 N ATOM 0 H ARG A 16 -12.376 -4.446 2.172 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.258 -2.208 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.144 -5.189 4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.435 -4.071 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.567 -4.734 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.405 -3.192 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.471 -4.905 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.002 -4.268 2.041 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.827 -6.343 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.382 -6.420 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.453 -8.174 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.941 -8.588 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.508 -9.398 2.475 1.00 0.00 H new ATOM 519 N ILE A 17 -11.130 -1.836 5.030 1.00 0.00 N ATOM 520 CA ILE A 17 -9.890 -1.583 5.735 1.00 0.00 C ATOM 521 C ILE A 17 -10.049 -2.032 7.185 1.00 0.00 C ATOM 522 O ILE A 17 -11.058 -1.709 7.819 1.00 0.00 O ATOM 523 CB ILE A 17 -9.422 -0.067 5.668 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.855 0.325 4.304 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.388 0.256 6.703 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.862 0.567 3.252 1.00 0.00 C ATOM 0 H ILE A 17 -11.774 -1.045 5.006 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.106 -2.155 5.239 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.330 0.505 5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.254 1.226 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.183 -0.464 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.101 1.304 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.798 0.074 7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.512 -0.374 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.360 0.839 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.449 -0.338 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.521 1.379 3.559 1.00 0.00 H new ATOM 538 N PRO A 18 -9.108 -2.844 7.710 1.00 0.00 N ATOM 539 CA PRO A 18 -9.156 -3.300 9.096 1.00 0.00 C ATOM 540 C PRO A 18 -9.157 -2.122 10.075 1.00 0.00 C ATOM 541 O PRO A 18 -8.231 -1.285 10.072 1.00 0.00 O ATOM 542 CB PRO A 18 -7.878 -4.148 9.264 1.00 0.00 C ATOM 543 CG PRO A 18 -7.014 -3.795 8.097 1.00 0.00 C ATOM 544 CD PRO A 18 -7.941 -3.390 6.991 1.00 0.00 C ATOM 0 HA PRO A 18 -10.065 -3.862 9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.378 -3.923 10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.111 -5.213 9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.333 -2.982 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.400 -4.644 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.487 -2.645 6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.215 -4.239 6.365 1.00 0.00 H new ATOM 552 N ALA A 19 -10.187 -2.066 10.913 1.00 0.00 N ATOM 553 CA ALA A 19 -10.369 -1.001 11.896 1.00 0.00 C ATOM 554 C ALA A 19 -9.193 -0.954 12.858 1.00 0.00 C ATOM 555 O ALA A 19 -8.838 0.098 13.379 1.00 0.00 O ATOM 556 CB ALA A 19 -11.679 -1.198 12.647 1.00 0.00 C ATOM 0 H ALA A 19 -10.928 -2.767 10.930 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.413 -0.046 11.373 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.804 -0.398 13.377 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.509 -1.178 11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.663 -2.159 13.161 1.00 0.00 H new ATOM 562 N THR A 20 -8.584 -2.099 13.048 1.00 0.00 N ATOM 563 CA THR A 20 -7.415 -2.260 13.868 1.00 0.00 C ATOM 564 C THR A 20 -6.240 -1.389 13.319 1.00 0.00 C ATOM 565 O THR A 20 -5.520 -0.748 14.069 1.00 0.00 O ATOM 566 CB THR A 20 -7.036 -3.745 13.825 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.247 -4.518 13.972 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.086 -4.096 14.943 1.00 0.00 C ATOM 0 H THR A 20 -8.901 -2.970 12.621 1.00 0.00 H new ATOM 0 HA THR A 20 -7.615 -1.938 14.890 1.00 0.00 H new ATOM 0 HB THR A 20 -6.541 -3.963 12.879 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.030 -5.473 13.946 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.835 -5.155 14.888 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.177 -3.502 14.848 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.559 -3.885 15.902 1.00 0.00 H new ATOM 576 N LEU A 21 -6.110 -1.331 12.001 1.00 0.00 N ATOM 577 CA LEU A 21 -5.033 -0.571 11.354 1.00 0.00 C ATOM 578 C LEU A 21 -5.373 0.869 11.276 1.00 0.00 C ATOM 579 O LEU A 21 -4.496 1.727 11.292 1.00 0.00 O ATOM 580 CB LEU A 21 -4.742 -1.104 9.975 1.00 0.00 C ATOM 581 CG LEU A 21 -3.785 -2.280 9.887 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.365 -1.827 10.198 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.177 -3.394 10.838 1.00 0.00 C ATOM 0 H LEU A 21 -6.738 -1.802 11.350 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.139 -0.688 11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.686 -1.399 9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.337 -0.290 9.374 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.835 -2.666 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.689 -2.679 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.061 -1.065 9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.328 -1.412 11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.469 -4.217 10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.166 -3.019 11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.178 -3.747 10.591 1.00 0.00 H new ATOM 595 N MET A 22 -6.643 1.120 11.167 1.00 0.00 N ATOM 596 CA MET A 22 -7.182 2.491 11.220 1.00 0.00 C ATOM 597 C MET A 22 -6.679 3.176 12.470 1.00 0.00 C ATOM 598 O MET A 22 -6.124 4.276 12.424 1.00 0.00 O ATOM 599 CB MET A 22 -8.712 2.483 11.216 1.00 0.00 C ATOM 600 CG MET A 22 -9.352 1.986 9.936 1.00 0.00 C ATOM 601 SD MET A 22 -9.150 3.116 8.567 1.00 0.00 S ATOM 602 CE MET A 22 -10.090 4.498 9.186 1.00 0.00 C ATOM 0 H MET A 22 -7.352 0.398 11.038 1.00 0.00 H new ATOM 0 HA MET A 22 -6.844 3.032 10.336 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.058 1.861 12.041 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.065 3.496 11.410 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.918 1.022 9.671 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.415 1.820 10.109 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.798 4.827 8.425 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.634 4.196 10.081 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.414 5.317 9.431 1.00 0.00 H new ATOM 612 N GLN A 23 -6.854 2.494 13.560 1.00 0.00 N ATOM 613 CA GLN A 23 -6.366 2.929 14.858 1.00 0.00 C ATOM 614 C GLN A 23 -4.848 2.981 14.881 1.00 0.00 C ATOM 615 O GLN A 23 -4.258 3.900 15.438 1.00 0.00 O ATOM 616 CB GLN A 23 -6.816 1.954 15.916 1.00 0.00 C ATOM 617 CG GLN A 23 -8.305 1.791 15.994 1.00 0.00 C ATOM 618 CD GLN A 23 -8.723 0.759 17.011 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.064 0.550 18.021 1.00 0.00 O ATOM 620 NE2 GLN A 23 -9.796 0.090 16.743 1.00 0.00 N ATOM 0 H GLN A 23 -7.347 1.602 13.586 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.765 3.925 15.050 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.363 0.982 15.718 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.445 2.287 16.885 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.759 2.749 16.247 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.687 1.506 15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.322 0.289 15.892 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.117 -0.637 17.382 1.00 0.00 H new ATOM 629 N ALA A 24 -4.228 2.019 14.216 1.00 0.00 N ATOM 630 CA ALA A 24 -2.773 1.870 14.276 1.00 0.00 C ATOM 631 C ALA A 24 -2.053 3.010 13.574 1.00 0.00 C ATOM 632 O ALA A 24 -0.980 3.447 14.008 1.00 0.00 O ATOM 633 CB ALA A 24 -2.340 0.528 13.701 1.00 0.00 C ATOM 0 H ALA A 24 -4.701 1.331 13.630 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.491 1.905 15.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.255 0.441 13.757 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.798 -0.278 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.656 0.459 12.660 1.00 0.00 H new ATOM 639 N LEU A 25 -2.643 3.496 12.513 1.00 0.00 N ATOM 640 CA LEU A 25 -2.044 4.557 11.721 1.00 0.00 C ATOM 641 C LEU A 25 -2.664 5.912 12.031 1.00 0.00 C ATOM 642 O LEU A 25 -2.227 6.944 11.513 1.00 0.00 O ATOM 643 CB LEU A 25 -2.165 4.223 10.258 1.00 0.00 C ATOM 644 CG LEU A 25 -1.391 2.992 9.810 1.00 0.00 C ATOM 645 CD1 LEU A 25 -1.739 2.657 8.401 1.00 0.00 C ATOM 646 CD2 LEU A 25 0.107 3.222 9.934 1.00 0.00 C ATOM 0 H LEU A 25 -3.548 3.175 12.169 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.988 4.629 11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.219 4.077 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.823 5.079 9.676 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.666 2.158 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.181 1.775 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.808 2.455 8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.484 3.496 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.640 2.329 9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.398 4.067 9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.358 3.436 10.973 1.00 0.00 H new ATOM 658 N ASN A 26 -3.665 5.883 12.895 1.00 0.00 N ATOM 659 CA ASN A 26 -4.383 7.063 13.397 1.00 0.00 C ATOM 660 C ASN A 26 -5.170 7.795 12.318 1.00 0.00 C ATOM 661 O ASN A 26 -4.924 8.977 12.037 1.00 0.00 O ATOM 662 CB ASN A 26 -3.473 8.044 14.183 1.00 0.00 C ATOM 663 CG ASN A 26 -2.811 7.414 15.397 1.00 0.00 C ATOM 664 OD1 ASN A 26 -3.380 7.383 16.492 1.00 0.00 O ATOM 665 ND2 ASN A 26 -1.586 6.960 15.236 1.00 0.00 N ATOM 0 H ASN A 26 -4.020 5.010 13.286 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.109 6.660 14.104 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.701 8.426 13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.067 8.899 14.505 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.079 6.568 16.030 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.144 7.000 14.318 1.00 0.00 H new ATOM 672 N LEU A 27 -6.060 7.084 11.670 1.00 0.00 N ATOM 673 CA LEU A 27 -6.968 7.656 10.753 1.00 0.00 C ATOM 674 C LEU A 27 -8.380 7.216 11.093 1.00 0.00 C ATOM 675 O LEU A 27 -8.580 6.194 11.770 1.00 0.00 O ATOM 676 CB LEU A 27 -6.638 7.303 9.321 1.00 0.00 C ATOM 677 CG LEU A 27 -6.557 5.837 8.950 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.019 5.685 7.534 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.131 5.343 9.067 1.00 0.00 C ATOM 0 H LEU A 27 -6.162 6.075 11.779 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.888 8.740 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.388 7.768 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.681 7.763 9.076 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.184 5.253 9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.969 4.635 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.047 6.036 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.378 6.273 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.088 4.288 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.491 5.915 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.785 5.470 10.093 1.00 0.00 H new ATOM 691 N ASN A 28 -9.334 7.974 10.633 1.00 0.00 N ATOM 692 CA ASN A 28 -10.755 7.727 10.901 1.00 0.00 C ATOM 693 C ASN A 28 -11.578 7.731 9.629 1.00 0.00 C ATOM 694 O ASN A 28 -11.041 7.852 8.533 1.00 0.00 O ATOM 695 CB ASN A 28 -11.330 8.767 11.912 1.00 0.00 C ATOM 696 CG ASN A 28 -11.056 10.262 11.594 1.00 0.00 C ATOM 697 OD1 ASN A 28 -11.016 10.649 10.343 1.00 0.00 O flip ATOM 698 ND2 ASN A 28 -10.923 11.075 12.509 1.00 0.00 N flip ATOM 0 H ASN A 28 -9.163 8.795 10.053 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.822 6.734 11.345 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.409 8.623 11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.922 8.547 12.898 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.956 10.761 13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.780 12.062 12.297 1.00 0.00 H new ATOM 705 N ILE A 29 -12.871 7.571 9.782 1.00 0.00 N ATOM 706 CA ILE A 29 -13.800 7.675 8.680 1.00 0.00 C ATOM 707 C ILE A 29 -13.776 9.103 8.126 1.00 0.00 C ATOM 708 O ILE A 29 -13.593 10.059 8.880 1.00 0.00 O ATOM 709 CB ILE A 29 -15.252 7.294 9.133 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.385 5.783 9.392 1.00 0.00 C ATOM 711 CG2 ILE A 29 -16.325 7.764 8.143 1.00 0.00 C ATOM 712 CD1 ILE A 29 -15.108 4.914 8.191 1.00 0.00 C ATOM 0 H ILE A 29 -13.311 7.364 10.679 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.497 6.977 7.900 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.423 7.823 10.070 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.700 5.503 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.394 5.576 9.749 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.310 7.473 8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.280 8.849 8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.149 7.305 7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.225 3.866 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.809 5.161 7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.089 5.087 7.844 1.00 0.00 H new ATOM 724 N ASP A 30 -13.881 9.200 6.806 1.00 0.00 N ATOM 725 CA ASP A 30 -13.940 10.454 6.042 1.00 0.00 C ATOM 726 C ASP A 30 -12.554 11.087 5.940 1.00 0.00 C ATOM 727 O ASP A 30 -12.386 12.199 5.458 1.00 0.00 O ATOM 728 CB ASP A 30 -14.997 11.432 6.625 1.00 0.00 C ATOM 729 CG ASP A 30 -15.331 12.576 5.698 1.00 0.00 C ATOM 730 OD1 ASP A 30 -16.137 12.366 4.758 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.823 13.699 5.885 1.00 0.00 O ATOM 0 H ASP A 30 -13.930 8.376 6.207 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.267 10.221 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.909 10.878 6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.628 11.834 7.568 1.00 0.00 H new ATOM 736 N ASP A 31 -11.546 10.326 6.306 1.00 0.00 N ATOM 737 CA ASP A 31 -10.203 10.815 6.293 1.00 0.00 C ATOM 738 C ASP A 31 -9.684 10.624 4.901 1.00 0.00 C ATOM 739 O ASP A 31 -10.261 9.865 4.124 1.00 0.00 O ATOM 740 CB ASP A 31 -9.357 10.031 7.274 1.00 0.00 C ATOM 741 CG ASP A 31 -8.163 10.793 7.806 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.414 11.407 7.027 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.974 10.816 9.021 1.00 0.00 O ATOM 0 H ASP A 31 -11.642 9.359 6.617 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.166 11.865 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.982 9.725 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.006 9.120 6.788 1.00 0.00 H new ATOM 748 N GLU A 32 -8.631 11.250 4.602 1.00 0.00 N ATOM 749 CA GLU A 32 -8.064 11.256 3.304 1.00 0.00 C ATOM 750 C GLU A 32 -6.750 10.496 3.320 1.00 0.00 C ATOM 751 O GLU A 32 -5.926 10.712 4.204 1.00 0.00 O ATOM 752 CB GLU A 32 -7.855 12.713 2.882 1.00 0.00 C ATOM 753 CG GLU A 32 -7.111 12.875 1.586 1.00 0.00 C ATOM 754 CD GLU A 32 -6.918 14.307 1.188 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.890 14.941 0.706 1.00 0.00 O ATOM 756 OE2 GLU A 32 -5.798 14.823 1.313 1.00 0.00 O ATOM 0 H GLU A 32 -8.104 11.803 5.278 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.725 10.766 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.827 13.198 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.310 13.234 3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.136 12.395 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.654 12.356 0.796 1.00 0.00 H new ATOM 763 N VAL A 33 -6.554 9.575 2.387 1.00 0.00 N ATOM 764 CA VAL A 33 -5.287 8.876 2.350 1.00 0.00 C ATOM 765 C VAL A 33 -4.630 9.071 1.022 1.00 0.00 C ATOM 766 O VAL A 33 -5.293 9.416 0.039 1.00 0.00 O ATOM 767 CB VAL A 33 -5.355 7.352 2.716 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.300 7.135 3.830 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.701 6.447 1.549 1.00 0.00 C ATOM 0 H VAL A 33 -7.230 9.305 1.673 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.686 9.325 3.140 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.346 7.073 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.337 6.073 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.968 7.696 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.293 7.475 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.727 5.411 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.677 6.724 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.947 6.555 0.769 1.00 0.00 H new ATOM 779 N LYS A 34 -3.363 8.897 0.998 1.00 0.00 N ATOM 780 CA LYS A 34 -2.612 9.040 -0.205 1.00 0.00 C ATOM 781 C LYS A 34 -2.144 7.676 -0.693 1.00 0.00 C ATOM 782 O LYS A 34 -1.405 6.966 -0.005 1.00 0.00 O ATOM 783 CB LYS A 34 -1.448 9.967 0.055 1.00 0.00 C ATOM 784 CG LYS A 34 -0.784 10.541 -1.168 1.00 0.00 C ATOM 785 CD LYS A 34 0.085 11.731 -0.776 1.00 0.00 C ATOM 786 CE LYS A 34 1.200 11.357 0.187 1.00 0.00 C ATOM 787 NZ LYS A 34 2.239 10.562 -0.470 1.00 0.00 N ATOM 0 H LYS A 34 -2.806 8.649 1.816 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.234 9.472 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.796 10.791 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.698 9.426 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.175 9.779 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.539 10.853 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.519 12.169 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.541 12.497 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.642 12.263 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.785 10.794 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.991 10.340 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.825 9.678 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.640 11.102 -1.263 1.00 0.00 H new ATOM 801 N ILE A 35 -2.623 7.306 -1.840 1.00 0.00 N ATOM 802 CA ILE A 35 -2.264 6.077 -2.468 1.00 0.00 C ATOM 803 C ILE A 35 -1.159 6.393 -3.438 1.00 0.00 C ATOM 804 O ILE A 35 -1.335 7.213 -4.352 1.00 0.00 O ATOM 805 CB ILE A 35 -3.445 5.396 -3.266 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.671 5.080 -2.396 1.00 0.00 C ATOM 807 CG2 ILE A 35 -2.978 4.129 -3.942 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.544 6.263 -2.098 1.00 0.00 C ATOM 0 H ILE A 35 -3.289 7.863 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.973 5.373 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.754 6.129 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.270 4.319 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.331 4.649 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.809 3.679 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.174 4.364 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.614 3.429 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.384 5.948 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.965 7.018 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.918 6.683 -3.031 1.00 0.00 H new ATOM 820 N ASP A 36 -0.040 5.816 -3.220 1.00 0.00 N ATOM 821 CA ASP A 36 1.095 6.020 -4.080 1.00 0.00 C ATOM 822 C ASP A 36 1.513 4.738 -4.729 1.00 0.00 C ATOM 823 O ASP A 36 1.623 3.704 -4.068 1.00 0.00 O ATOM 824 CB ASP A 36 2.270 6.628 -3.320 1.00 0.00 C ATOM 825 CG ASP A 36 2.186 8.108 -3.184 1.00 0.00 C ATOM 826 OD1 ASP A 36 2.525 8.812 -4.138 1.00 0.00 O ATOM 827 OD2 ASP A 36 1.866 8.596 -2.092 1.00 0.00 O ATOM 0 H ASP A 36 0.131 5.182 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 36 0.790 6.723 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.320 6.182 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.197 6.370 -3.832 1.00 0.00 H new ATOM 832 N LEU A 37 1.697 4.771 -6.019 1.00 0.00 N ATOM 833 CA LEU A 37 2.165 3.677 -6.721 1.00 0.00 C ATOM 834 C LEU A 37 3.665 3.792 -6.739 1.00 0.00 C ATOM 835 O LEU A 37 4.232 4.806 -7.165 1.00 0.00 O ATOM 836 CB LEU A 37 1.569 3.700 -8.123 1.00 0.00 C ATOM 837 CG LEU A 37 1.801 2.499 -9.040 1.00 0.00 C ATOM 838 CD1 LEU A 37 3.200 2.481 -9.582 1.00 0.00 C ATOM 839 CD2 LEU A 37 1.483 1.216 -8.322 1.00 0.00 C ATOM 0 H LEU A 37 1.513 5.591 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 37 1.878 2.729 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.492 3.835 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.955 4.583 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 37 1.125 2.593 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.328 1.614 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.380 3.391 -10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.909 2.425 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.654 0.373 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.125 1.121 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.439 1.224 -8.008 1.00 0.00 H new ATOM 851 N VAL A 38 4.279 2.781 -6.284 1.00 0.00 N ATOM 852 CA VAL A 38 5.720 2.745 -6.134 1.00 0.00 C ATOM 853 C VAL A 38 6.236 1.379 -6.553 1.00 0.00 C ATOM 854 O VAL A 38 5.960 0.390 -5.887 1.00 0.00 O ATOM 855 CB VAL A 38 6.173 3.026 -4.651 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.692 2.979 -4.517 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.646 4.366 -4.134 1.00 0.00 C ATOM 0 H VAL A 38 3.811 1.923 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 38 6.134 3.530 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 38 5.741 2.234 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.972 3.177 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.053 1.993 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.138 3.734 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.983 4.518 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.023 5.172 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.556 4.364 -4.162 1.00 0.00 H new ATOM 867 N ASP A 39 6.906 1.324 -7.701 1.00 0.00 N ATOM 868 CA ASP A 39 7.562 0.089 -8.217 1.00 0.00 C ATOM 869 C ASP A 39 6.569 -1.029 -8.467 1.00 0.00 C ATOM 870 O ASP A 39 6.895 -2.219 -8.362 1.00 0.00 O ATOM 871 CB ASP A 39 8.682 -0.389 -7.272 1.00 0.00 C ATOM 872 CG ASP A 39 9.888 0.509 -7.288 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.953 1.465 -6.504 1.00 0.00 O ATOM 874 OD2 ASP A 39 10.814 0.266 -8.090 1.00 0.00 O ATOM 0 H ASP A 39 7.019 2.130 -8.315 1.00 0.00 H new ATOM 0 HA ASP A 39 8.007 0.353 -9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.292 -0.447 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.983 -1.398 -7.555 1.00 0.00 H new ATOM 879 N GLY A 40 5.375 -0.645 -8.837 1.00 0.00 N ATOM 880 CA GLY A 40 4.322 -1.600 -9.096 1.00 0.00 C ATOM 881 C GLY A 40 3.680 -2.102 -7.822 1.00 0.00 C ATOM 882 O GLY A 40 3.045 -3.151 -7.804 1.00 0.00 O ATOM 0 H GLY A 40 5.103 0.330 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.562 -1.138 -9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.728 -2.444 -9.653 1.00 0.00 H new ATOM 886 N LYS A 41 3.886 -1.389 -6.751 1.00 0.00 N ATOM 887 CA LYS A 41 3.301 -1.729 -5.490 1.00 0.00 C ATOM 888 C LYS A 41 2.433 -0.569 -5.075 1.00 0.00 C ATOM 889 O LYS A 41 2.777 0.588 -5.359 1.00 0.00 O ATOM 890 CB LYS A 41 4.401 -1.885 -4.444 1.00 0.00 C ATOM 891 CG LYS A 41 4.017 -2.738 -3.246 1.00 0.00 C ATOM 892 CD LYS A 41 4.060 -4.216 -3.596 1.00 0.00 C ATOM 893 CE LYS A 41 5.505 -4.705 -3.748 1.00 0.00 C ATOM 894 NZ LYS A 41 5.580 -6.094 -4.241 1.00 0.00 N ATOM 0 H LYS A 41 4.468 -0.552 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 41 2.734 -2.656 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.278 -2.324 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.692 -0.896 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.697 -2.536 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.016 -2.469 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.558 -4.792 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.515 -4.389 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.037 -4.049 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.012 -4.636 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.567 -6.328 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.234 -6.743 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.992 -6.192 -5.094 1.00 0.00 H new ATOM 908 N LEU A 42 1.327 -0.838 -4.443 1.00 0.00 N ATOM 909 CA LEU A 42 0.523 0.240 -3.931 1.00 0.00 C ATOM 910 C LEU A 42 0.869 0.485 -2.512 1.00 0.00 C ATOM 911 O LEU A 42 0.758 -0.390 -1.651 1.00 0.00 O ATOM 912 CB LEU A 42 -0.983 0.061 -4.133 1.00 0.00 C ATOM 913 CG LEU A 42 -1.532 0.257 -5.543 1.00 0.00 C ATOM 914 CD1 LEU A 42 -2.962 -0.256 -5.618 1.00 0.00 C ATOM 915 CD2 LEU A 42 -1.523 1.728 -5.963 1.00 0.00 C ATOM 0 H LEU A 42 0.964 -1.775 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 42 0.765 1.122 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.249 -0.944 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.497 0.759 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.885 -0.302 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.347 -0.113 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.981 -1.317 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.583 0.294 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.922 1.820 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.139 2.307 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.501 2.107 -5.941 1.00 0.00 H new ATOM 927 N ILE A 43 1.329 1.642 -2.293 1.00 0.00 N ATOM 928 CA ILE A 43 1.783 2.066 -1.018 1.00 0.00 C ATOM 929 C ILE A 43 0.747 2.997 -0.437 1.00 0.00 C ATOM 930 O ILE A 43 0.351 3.986 -1.066 1.00 0.00 O ATOM 931 CB ILE A 43 3.141 2.790 -1.149 1.00 0.00 C ATOM 932 CG1 ILE A 43 4.159 1.919 -1.907 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.690 3.245 0.198 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.494 0.580 -1.282 1.00 0.00 C ATOM 0 H ILE A 43 1.408 2.357 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 43 1.922 1.206 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 43 2.966 3.693 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.776 1.741 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.083 2.487 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.646 3.748 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.986 3.934 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.832 2.379 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.220 0.059 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.915 0.737 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.588 -0.021 -1.201 1.00 0.00 H new ATOM 946 N ILE A 44 0.277 2.652 0.706 1.00 0.00 N ATOM 947 CA ILE A 44 -0.732 3.427 1.381 1.00 0.00 C ATOM 948 C ILE A 44 -0.091 4.279 2.461 1.00 0.00 C ATOM 949 O ILE A 44 0.478 3.764 3.445 1.00 0.00 O ATOM 950 CB ILE A 44 -1.847 2.529 1.988 1.00 0.00 C ATOM 951 CG1 ILE A 44 -2.544 1.690 0.899 1.00 0.00 C ATOM 952 CG2 ILE A 44 -2.870 3.351 2.782 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.230 2.496 -0.187 1.00 0.00 C ATOM 0 H ILE A 44 0.576 1.820 1.214 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.206 4.074 0.642 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.363 1.844 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.804 1.038 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.283 1.046 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.632 2.687 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.366 3.869 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.340 4.082 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.691 1.819 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.997 3.129 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.495 3.120 -0.696 1.00 0.00 H new ATOM 965 N GLU A 45 -0.160 5.557 2.254 1.00 0.00 N ATOM 966 CA GLU A 45 0.372 6.545 3.147 1.00 0.00 C ATOM 967 C GLU A 45 -0.819 7.372 3.610 1.00 0.00 C ATOM 968 O GLU A 45 -1.698 7.681 2.800 1.00 0.00 O ATOM 969 CB GLU A 45 1.339 7.431 2.330 1.00 0.00 C ATOM 970 CG GLU A 45 2.050 8.558 3.074 1.00 0.00 C ATOM 971 CD GLU A 45 3.095 8.062 4.030 1.00 0.00 C ATOM 972 OE1 GLU A 45 4.099 7.509 3.566 1.00 0.00 O ATOM 973 OE2 GLU A 45 2.956 8.260 5.257 1.00 0.00 O ATOM 0 H GLU A 45 -0.605 5.958 1.428 1.00 0.00 H new ATOM 0 HA GLU A 45 0.902 6.116 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.099 6.785 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.778 7.872 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.516 9.227 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.313 9.145 3.622 1.00 0.00 H new ATOM 980 N PRO A 46 -0.936 7.728 4.876 1.00 0.00 N ATOM 981 CA PRO A 46 -2.008 8.527 5.296 1.00 0.00 C ATOM 982 C PRO A 46 -1.655 9.977 5.100 1.00 0.00 C ATOM 983 O PRO A 46 -0.473 10.339 4.908 1.00 0.00 O ATOM 984 CB PRO A 46 -2.188 8.193 6.774 1.00 0.00 C ATOM 985 CG PRO A 46 -1.056 7.299 7.115 1.00 0.00 C ATOM 986 CD PRO A 46 -0.060 7.434 5.986 1.00 0.00 C ATOM 0 HA PRO A 46 -2.925 8.346 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.174 9.095 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.144 7.702 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.607 7.584 8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.392 6.267 7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.660 8.232 6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.511 6.519 5.829 1.00 0.00 H new ATOM 994 N VAL A 47 -2.616 10.795 5.156 1.00 0.00 N ATOM 995 CA VAL A 47 -2.376 12.186 4.953 1.00 0.00 C ATOM 996 C VAL A 47 -2.331 12.805 6.292 1.00 0.00 C ATOM 997 O VAL A 47 -3.364 12.984 6.965 1.00 0.00 O ATOM 998 CB VAL A 47 -3.398 12.878 4.037 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.993 14.281 3.811 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.450 12.208 2.712 1.00 0.00 C ATOM 0 H VAL A 47 -3.587 10.543 5.340 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.433 12.310 4.420 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.373 12.826 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.719 14.769 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.950 14.805 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.011 14.305 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.179 12.712 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.467 12.254 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.742 11.166 2.842 1.00 0.00 H new ATOM 1351 N ILE B 2 -1.934 9.923 -5.064 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.375 9.961 -5.275 1.00 0.00 C ATOM 1353 C ILE B 2 -4.090 10.140 -3.935 1.00 0.00 C ATOM 1354 O ILE B 2 -3.975 9.299 -3.056 1.00 0.00 O ATOM 1355 CB ILE B 2 -3.889 8.662 -5.969 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.155 8.441 -7.308 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.406 8.732 -6.192 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -3.522 7.145 -8.010 1.00 0.00 C ATOM 0 HA ILE B 2 -3.593 10.804 -5.930 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.678 7.816 -5.315 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.375 9.276 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.080 8.452 -7.127 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -5.745 7.817 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -5.910 8.842 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.642 9.587 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -2.963 7.066 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.276 6.300 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -4.590 7.138 -8.225 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.820 11.222 -3.783 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.535 11.488 -2.542 1.00 0.00 C ATOM 1372 C HIS B 3 -6.951 10.929 -2.625 1.00 0.00 C ATOM 1373 O HIS B 3 -7.619 11.046 -3.653 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.537 12.990 -2.184 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.194 13.531 -1.735 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -3.967 14.106 -0.497 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -3.009 13.599 -2.388 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.690 14.489 -0.441 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -2.064 14.206 -1.566 1.00 0.00 N ATOM 0 H HIS B 3 -4.938 11.937 -4.501 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.009 10.980 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.871 13.557 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.266 13.161 -1.392 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -4.657 14.218 0.245 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -2.826 13.239 -3.390 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -2.231 14.967 0.412 1.00 0.00 H new ATOM 1387 N SER B 4 -7.386 10.317 -1.564 1.00 0.00 N ATOM 1388 CA SER B 4 -8.656 9.619 -1.521 1.00 0.00 C ATOM 1389 C SER B 4 -9.431 10.013 -0.273 1.00 0.00 C ATOM 1390 O SER B 4 -9.243 11.103 0.266 1.00 0.00 O ATOM 1391 CB SER B 4 -8.325 8.147 -1.436 1.00 0.00 C ATOM 1392 OG SER B 4 -7.547 7.915 -0.298 1.00 0.00 O ATOM 0 H SER B 4 -6.868 10.283 -0.686 1.00 0.00 H new ATOM 0 HA SER B 4 -9.260 9.860 -2.395 1.00 0.00 H new ATOM 0 HB2 SER B 4 -9.241 7.558 -1.391 1.00 0.00 H new ATOM 0 HB3 SER B 4 -7.787 7.831 -2.330 1.00 0.00 H new ATOM 0 HG SER B 4 -6.704 8.409 -0.372 1.00 0.00 H new ATOM 1398 N SER B 5 -10.293 9.124 0.170 1.00 0.00 N ATOM 1399 CA SER B 5 -10.996 9.278 1.382 1.00 0.00 C ATOM 1400 C SER B 5 -11.627 7.960 1.752 1.00 0.00 C ATOM 1401 O SER B 5 -12.222 7.281 0.908 1.00 0.00 O ATOM 1402 CB SER B 5 -12.038 10.389 1.307 1.00 0.00 C ATOM 1403 OG SER B 5 -12.583 10.673 2.596 1.00 0.00 O ATOM 0 H SER B 5 -10.515 8.262 -0.328 1.00 0.00 H new ATOM 0 HA SER B 5 -10.291 9.576 2.158 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.584 11.290 0.895 1.00 0.00 H new ATOM 0 HB3 SER B 5 -12.838 10.096 0.627 1.00 0.00 H new ATOM 0 HG SER B 5 -11.922 10.456 3.286 1.00 0.00 H new ATOM 1409 N VAL B 6 -11.454 7.594 2.985 1.00 0.00 N ATOM 1410 CA VAL B 6 -12.004 6.376 3.524 1.00 0.00 C ATOM 1411 C VAL B 6 -13.401 6.665 3.943 1.00 0.00 C ATOM 1412 O VAL B 6 -13.620 7.440 4.858 1.00 0.00 O ATOM 1413 CB VAL B 6 -11.208 5.893 4.754 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.778 4.596 5.307 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.767 5.722 4.394 1.00 0.00 C ATOM 0 H VAL B 6 -10.918 8.139 3.661 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.959 5.594 2.766 1.00 0.00 H new ATOM 0 HB VAL B 6 -11.292 6.650 5.534 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -11.195 4.282 6.173 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.815 4.752 5.605 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.733 3.823 4.540 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -9.212 5.381 5.268 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.676 4.985 3.596 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -9.361 6.675 4.056 1.00 0.00 H new ATOM 1425 N LYS B 7 -14.334 6.089 3.293 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.692 6.372 3.610 1.00 0.00 C ATOM 1427 C LYS B 7 -16.302 5.186 4.347 1.00 0.00 C ATOM 1428 O LYS B 7 -15.640 4.153 4.540 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.497 6.748 2.358 1.00 0.00 C ATOM 1430 CG LYS B 7 -16.022 7.988 1.587 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.894 9.229 2.468 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.664 10.476 1.615 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.160 11.629 2.405 1.00 0.00 N ATOM 0 H LYS B 7 -14.192 5.418 2.538 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.727 7.240 4.268 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -16.486 5.897 1.677 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.534 6.906 2.654 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -15.057 7.775 1.127 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -16.722 8.195 0.777 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.798 9.352 3.065 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.066 9.102 3.166 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.950 10.243 0.825 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -16.599 10.755 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.119 12.473 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -15.800 11.808 3.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -14.208 11.414 2.765 1.00 0.00 H new ATOM 1447 N ARG B 8 -17.525 5.326 4.763 1.00 0.00 N ATOM 1448 CA ARG B 8 -18.175 4.304 5.536 1.00 0.00 C ATOM 1449 C ARG B 8 -19.134 3.487 4.674 1.00 0.00 C ATOM 1450 O ARG B 8 -20.133 4.003 4.182 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.930 4.941 6.689 1.00 0.00 C ATOM 1452 CG ARG B 8 -19.603 3.956 7.612 1.00 0.00 C ATOM 1453 CD ARG B 8 -20.312 4.676 8.731 1.00 0.00 C ATOM 1454 NE ARG B 8 -19.374 5.365 9.632 1.00 0.00 N ATOM 1455 CZ ARG B 8 -19.432 6.658 9.981 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -20.252 7.496 9.354 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -18.614 7.115 10.921 1.00 0.00 N ATOM 0 H ARG B 8 -18.101 6.148 4.578 1.00 0.00 H new ATOM 0 HA ARG B 8 -17.412 3.629 5.925 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -18.237 5.549 7.270 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.685 5.616 6.285 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -20.317 3.353 7.051 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -18.862 3.271 8.025 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -21.008 5.402 8.310 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -20.904 3.961 9.303 1.00 0.00 H new ATOM 0 HE ARG B 8 -18.614 4.810 10.025 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -20.847 7.157 8.598 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -20.286 8.478 9.629 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.950 6.484 11.370 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.649 8.097 11.194 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.821 2.243 4.489 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.669 1.316 3.755 1.00 0.00 C ATOM 1473 C TRP B 9 -20.347 0.452 4.798 1.00 0.00 C ATOM 1474 O TRP B 9 -19.723 -0.448 5.369 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.799 0.471 2.792 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.513 -0.486 1.864 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.837 -0.504 1.554 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.922 -1.562 1.084 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -21.094 -1.477 0.643 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.968 -2.147 0.361 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.622 -2.098 0.919 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.786 -3.198 -0.484 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.460 -3.156 0.064 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.554 -3.695 -0.619 1.00 0.00 C ATOM 0 H TRP B 9 -17.961 1.823 4.842 1.00 0.00 H new ATOM 0 HA TRP B 9 -20.413 1.828 3.145 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -18.211 1.156 2.181 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -18.095 -0.105 3.393 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.578 0.161 1.973 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -22.008 -1.670 0.234 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.780 -1.684 1.453 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.616 -3.619 -1.031 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.477 -3.578 -0.084 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -18.398 -4.538 -1.275 1.00 0.00 H new ATOM 1495 N GLY B 10 -21.578 0.793 5.131 1.00 0.00 N ATOM 1496 CA GLY B 10 -22.259 0.099 6.180 1.00 0.00 C ATOM 1497 C GLY B 10 -21.728 0.619 7.475 1.00 0.00 C ATOM 1498 O GLY B 10 -21.827 1.813 7.741 1.00 0.00 O ATOM 0 H GLY B 10 -22.113 1.540 4.689 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -23.335 0.261 6.113 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -22.093 -0.975 6.101 1.00 0.00 H new ATOM 1502 N ASN B 11 -21.156 -0.230 8.261 1.00 0.00 N ATOM 1503 CA ASN B 11 -20.468 0.205 9.471 1.00 0.00 C ATOM 1504 C ASN B 11 -18.969 -0.092 9.361 1.00 0.00 C ATOM 1505 O ASN B 11 -18.288 -0.242 10.369 1.00 0.00 O ATOM 1506 CB ASN B 11 -21.042 -0.488 10.729 1.00 0.00 C ATOM 1507 CG ASN B 11 -22.452 -0.042 11.112 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -23.276 0.322 10.263 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -22.741 -0.073 12.382 1.00 0.00 N ATOM 0 H ASN B 11 -21.141 -1.238 8.103 1.00 0.00 H new ATOM 0 HA ASN B 11 -20.623 1.279 9.572 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -21.048 -1.565 10.564 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -20.374 -0.298 11.569 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -23.668 0.208 12.701 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -22.040 -0.378 13.057 1.00 0.00 H new ATOM 1516 N SER B 12 -18.430 -0.106 8.139 1.00 0.00 N ATOM 1517 CA SER B 12 -17.082 -0.495 7.935 1.00 0.00 C ATOM 1518 C SER B 12 -16.363 0.513 7.039 1.00 0.00 C ATOM 1519 O SER B 12 -16.961 1.067 6.118 1.00 0.00 O ATOM 1520 CB SER B 12 -17.049 -1.876 7.294 1.00 0.00 C ATOM 1521 OG SER B 12 -17.747 -2.828 8.087 1.00 0.00 O ATOM 0 H SER B 12 -18.931 0.153 7.289 1.00 0.00 H new ATOM 0 HA SER B 12 -16.571 -0.525 8.897 1.00 0.00 H new ATOM 0 HB2 SER B 12 -17.495 -1.829 6.301 1.00 0.00 H new ATOM 0 HB3 SER B 12 -16.015 -2.195 7.164 1.00 0.00 H new ATOM 0 HG SER B 12 -17.712 -3.705 7.652 1.00 0.00 H new ATOM 1527 N PRO B 13 -15.116 0.813 7.354 1.00 0.00 N ATOM 1528 CA PRO B 13 -14.277 1.683 6.536 1.00 0.00 C ATOM 1529 C PRO B 13 -13.921 1.039 5.188 1.00 0.00 C ATOM 1530 O PRO B 13 -13.326 -0.053 5.136 1.00 0.00 O ATOM 1531 CB PRO B 13 -13.017 1.897 7.391 1.00 0.00 C ATOM 1532 CG PRO B 13 -13.014 0.790 8.390 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.443 0.362 8.571 1.00 0.00 C ATOM 0 HA PRO B 13 -14.783 2.614 6.282 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -12.118 1.872 6.776 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -13.039 2.869 7.884 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.403 -0.043 8.042 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.588 1.125 9.336 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -14.522 -0.718 8.691 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.884 0.814 9.459 1.00 0.00 H new ATOM 1541 N ALA B 14 -14.296 1.701 4.122 1.00 0.00 N ATOM 1542 CA ALA B 14 -14.042 1.242 2.798 1.00 0.00 C ATOM 1543 C ALA B 14 -13.554 2.398 1.959 1.00 0.00 C ATOM 1544 O ALA B 14 -14.096 3.509 2.032 1.00 0.00 O ATOM 1545 CB ALA B 14 -15.299 0.649 2.197 1.00 0.00 C ATOM 0 H ALA B 14 -14.795 2.590 4.161 1.00 0.00 H new ATOM 0 HA ALA B 14 -13.278 0.465 2.824 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -15.090 0.302 1.185 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.633 -0.191 2.807 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -16.081 1.408 2.166 1.00 0.00 H new ATOM 1551 N VAL B 15 -12.527 2.169 1.212 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.994 3.184 0.349 1.00 0.00 C ATOM 1553 C VAL B 15 -12.252 2.745 -1.079 1.00 0.00 C ATOM 1554 O VAL B 15 -12.375 1.537 -1.343 1.00 0.00 O ATOM 1555 CB VAL B 15 -10.455 3.410 0.596 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -9.605 2.244 0.092 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.975 4.732 0.006 1.00 0.00 C ATOM 0 H VAL B 15 -12.031 1.279 1.178 1.00 0.00 H new ATOM 0 HA VAL B 15 -12.481 4.138 0.554 1.00 0.00 H new ATOM 0 HB VAL B 15 -10.323 3.459 1.677 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -8.553 2.450 0.287 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.897 1.330 0.609 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.758 2.119 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.909 4.850 0.198 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -10.153 4.736 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -10.520 5.556 0.467 1.00 0.00 H new ATOM 1567 N ARG B 16 -12.367 3.685 -1.975 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.573 3.354 -3.359 1.00 0.00 C ATOM 1569 C ARG B 16 -11.232 3.202 -4.014 1.00 0.00 C ATOM 1570 O ARG B 16 -10.403 4.121 -3.955 1.00 0.00 O ATOM 1571 CB ARG B 16 -13.404 4.405 -4.126 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.901 4.426 -3.860 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.272 5.058 -2.556 1.00 0.00 C ATOM 1574 NE ARG B 16 -14.671 6.400 -2.393 1.00 0.00 N ATOM 1575 CZ ARG B 16 -15.358 7.548 -2.250 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.683 7.558 -2.341 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -14.699 8.690 -2.079 1.00 0.00 N ATOM 0 H ARG B 16 -12.322 4.684 -1.774 1.00 0.00 H new ATOM 0 HA ARG B 16 -13.145 2.426 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -13.004 5.391 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.251 4.245 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -15.397 4.964 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -15.279 3.404 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -16.357 5.137 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.948 4.415 -1.738 1.00 0.00 H new ATOM 0 HE ARG B 16 -13.653 6.460 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -17.188 6.690 -2.521 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -17.195 8.433 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -13.679 8.692 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -15.213 9.564 -1.970 1.00 0.00 H new ATOM 1591 N ILE B 17 -11.003 2.061 -4.594 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.759 1.798 -5.273 1.00 0.00 C ATOM 1593 C ILE B 17 -9.882 2.263 -6.728 1.00 0.00 C ATOM 1594 O ILE B 17 -10.873 1.950 -7.392 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.318 0.272 -5.211 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.784 -0.145 -3.841 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.270 -0.061 -6.229 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.813 -0.391 -2.815 1.00 0.00 C ATOM 0 H ILE B 17 -11.667 1.287 -4.613 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.977 2.355 -4.757 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.234 -0.280 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -8.189 -1.051 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -8.111 0.632 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -8.003 -1.115 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.658 0.137 -7.228 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.386 0.552 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -9.333 -0.681 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -10.394 0.517 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -10.474 -1.192 -3.147 1.00 0.00 H new ATOM 1610 N PRO B 18 -8.911 3.060 -7.225 1.00 0.00 N ATOM 1611 CA PRO B 18 -8.922 3.531 -8.601 1.00 0.00 C ATOM 1612 C PRO B 18 -8.934 2.366 -9.595 1.00 0.00 C ATOM 1613 O PRO B 18 -8.035 1.498 -9.585 1.00 0.00 O ATOM 1614 CB PRO B 18 -7.621 4.352 -8.738 1.00 0.00 C ATOM 1615 CG PRO B 18 -6.790 3.971 -7.560 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.750 3.571 -6.478 1.00 0.00 C ATOM 0 HA PRO B 18 -9.814 4.117 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.108 4.123 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -7.830 5.422 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.119 3.149 -7.808 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.167 4.805 -7.238 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.325 2.809 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.019 4.418 -5.846 1.00 0.00 H new ATOM 1624 N ALA B 19 -9.935 2.360 -10.464 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.123 1.303 -11.458 1.00 0.00 C ATOM 1626 C ALA B 19 -8.943 1.255 -12.422 1.00 0.00 C ATOM 1627 O ALA B 19 -8.637 0.211 -13.011 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.426 1.515 -12.212 1.00 0.00 C ATOM 0 H ALA B 19 -10.646 3.091 -10.503 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.175 0.345 -10.940 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.553 0.722 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.260 1.496 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.400 2.480 -12.719 1.00 0.00 H new ATOM 1634 N THR B 20 -8.287 2.379 -12.556 1.00 0.00 N ATOM 1635 CA THR B 20 -7.104 2.519 -13.359 1.00 0.00 C ATOM 1636 C THR B 20 -5.972 1.591 -12.808 1.00 0.00 C ATOM 1637 O THR B 20 -5.271 0.922 -13.559 1.00 0.00 O ATOM 1638 CB THR B 20 -6.663 3.994 -13.290 1.00 0.00 C ATOM 1639 OG1 THR B 20 -7.828 4.831 -13.480 1.00 0.00 O ATOM 1640 CG2 THR B 20 -5.650 4.316 -14.368 1.00 0.00 C ATOM 0 H THR B 20 -8.570 3.244 -12.096 1.00 0.00 H new ATOM 0 HA THR B 20 -7.305 2.231 -14.391 1.00 0.00 H new ATOM 0 HB THR B 20 -6.202 4.175 -12.319 1.00 0.00 H new ATOM 0 HG1 THR B 20 -7.564 5.774 -13.437 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.359 5.364 -14.293 1.00 0.00 H new ATOM 0 HG22 THR B 20 -4.770 3.685 -14.241 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.090 4.131 -15.348 1.00 0.00 H new ATOM 1648 N LEU B 21 -5.876 1.506 -11.484 1.00 0.00 N ATOM 1649 CA LEU B 21 -4.842 0.702 -10.819 1.00 0.00 C ATOM 1650 C LEU B 21 -5.230 -0.723 -10.761 1.00 0.00 C ATOM 1651 O LEU B 21 -4.380 -1.606 -10.789 1.00 0.00 O ATOM 1652 CB LEU B 21 -4.555 1.218 -9.428 1.00 0.00 C ATOM 1653 CG LEU B 21 -3.565 2.365 -9.322 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.148 1.874 -9.594 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -3.899 3.482 -10.279 1.00 0.00 C ATOM 0 H LEU B 21 -6.505 1.987 -10.841 1.00 0.00 H new ATOM 0 HA LEU B 21 -3.932 0.790 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.497 1.538 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.182 0.389 -8.827 1.00 0.00 H new ATOM 0 HG LEU B 21 -3.630 2.753 -8.305 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.452 2.709 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -1.882 1.109 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.095 1.453 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.168 4.283 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -3.877 3.104 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -4.894 3.867 -10.056 1.00 0.00 H new ATOM 1667 N MET B 22 -6.510 -0.939 -10.654 1.00 0.00 N ATOM 1668 CA MET B 22 -7.086 -2.292 -10.716 1.00 0.00 C ATOM 1669 C MET B 22 -6.585 -2.996 -11.953 1.00 0.00 C ATOM 1670 O MET B 22 -6.032 -4.097 -11.891 1.00 0.00 O ATOM 1671 CB MET B 22 -8.616 -2.243 -10.740 1.00 0.00 C ATOM 1672 CG MET B 22 -9.268 -1.729 -9.473 1.00 0.00 C ATOM 1673 SD MET B 22 -9.123 -2.863 -8.097 1.00 0.00 S ATOM 1674 CE MET B 22 -10.079 -4.229 -8.726 1.00 0.00 C ATOM 0 H MET B 22 -7.199 -0.198 -10.521 1.00 0.00 H new ATOM 0 HA MET B 22 -6.776 -2.837 -9.824 1.00 0.00 H new ATOM 0 HB2 MET B 22 -8.930 -1.612 -11.572 1.00 0.00 H new ATOM 0 HB3 MET B 22 -8.992 -3.246 -10.941 1.00 0.00 H new ATOM 0 HG2 MET B 22 -8.815 -0.776 -9.200 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.323 -1.536 -9.667 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.784 -4.561 -7.964 1.00 0.00 H new ATOM 0 HE2 MET B 22 -10.627 -3.912 -9.613 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.412 -5.051 -8.986 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.748 -2.328 -13.054 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.266 -2.789 -14.339 1.00 0.00 C ATOM 1686 C GLN B 23 -4.756 -2.885 -14.365 1.00 0.00 C ATOM 1687 O GLN B 23 -4.198 -3.829 -14.931 1.00 0.00 O ATOM 1688 CB GLN B 23 -6.712 -1.832 -15.416 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.197 -1.801 -15.592 1.00 0.00 C ATOM 1690 CD GLN B 23 -8.642 -0.770 -16.596 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.738 -1.039 -17.797 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -8.961 0.394 -16.113 1.00 0.00 N ATOM 0 H GLN B 23 -7.228 -1.429 -13.095 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.678 -3.783 -14.514 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.360 -0.830 -15.172 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.246 -2.113 -16.360 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.542 -2.785 -15.911 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.668 -1.594 -14.631 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -8.867 0.575 -15.114 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -9.306 1.127 -16.733 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.107 -1.945 -13.705 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.639 -1.840 -13.754 1.00 0.00 C ATOM 1703 C ALA B 24 -1.953 -2.987 -13.024 1.00 0.00 C ATOM 1704 O ALA B 24 -0.884 -3.457 -13.434 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.170 -0.499 -13.200 1.00 0.00 C ATOM 0 H ALA B 24 -4.561 -1.239 -13.126 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.353 -1.906 -14.804 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.082 -0.446 -13.247 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.599 0.309 -13.792 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.493 -0.400 -12.164 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.566 -3.434 -11.955 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.016 -4.513 -11.156 1.00 0.00 C ATOM 1713 C LEU B 25 -2.708 -5.837 -11.450 1.00 0.00 C ATOM 1714 O LEU B 25 -2.392 -6.862 -10.854 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.089 -4.157 -9.689 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.241 -2.963 -9.274 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -1.550 -2.598 -7.860 1.00 0.00 C ATOM 1718 CD2 LEU B 25 0.237 -3.279 -9.406 1.00 0.00 C ATOM 0 H LEU B 25 -3.454 -3.067 -11.612 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.968 -4.643 -11.426 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.128 -3.953 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.780 -5.024 -9.104 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.476 -2.126 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.942 -1.743 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.606 -2.340 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.328 -3.444 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.823 -2.411 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.487 -4.126 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.465 -3.528 -10.443 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.657 -5.783 -12.377 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.390 -6.950 -12.908 1.00 0.00 C ATOM 1732 C ASN B 26 -5.320 -7.631 -11.908 1.00 0.00 C ATOM 1733 O ASN B 26 -5.513 -8.852 -11.947 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.462 -7.980 -13.590 1.00 0.00 C ATOM 1735 CG ASN B 26 -2.756 -7.410 -14.803 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -3.304 -7.394 -15.905 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -1.529 -6.989 -14.629 1.00 0.00 N ATOM 0 H ASN B 26 -3.955 -4.904 -12.800 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.039 -6.520 -13.671 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.720 -8.327 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.047 -8.849 -13.889 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.995 -6.633 -15.422 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -1.107 -7.017 -13.701 1.00 0.00 H new ATOM 1744 N LEU B 27 -5.958 -6.854 -11.069 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.926 -7.381 -10.177 1.00 0.00 C ATOM 1746 C LEU B 27 -8.325 -6.940 -10.587 1.00 0.00 C ATOM 1747 O LEU B 27 -8.488 -5.974 -11.349 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.653 -7.029 -8.730 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.524 -5.569 -8.363 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.023 -5.394 -6.963 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.076 -5.139 -8.432 1.00 0.00 C ATOM 0 H LEU B 27 -5.813 -5.847 -10.995 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.859 -8.467 -10.247 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.455 -7.454 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.731 -7.530 -8.434 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.103 -4.962 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.940 -4.346 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.067 -5.704 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.427 -6.005 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.996 -4.085 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.486 -5.735 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.701 -5.286 -9.445 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.307 -7.657 -10.120 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.720 -7.399 -10.436 1.00 0.00 C ATOM 1765 C ASN B 28 -11.583 -7.430 -9.189 1.00 0.00 C ATOM 1766 O ASN B 28 -11.075 -7.566 -8.080 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.262 -8.407 -11.494 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.025 -9.906 -11.195 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -11.100 -10.329 -9.950 1.00 0.00 O flip ATOM 1770 ND2 ASN B 28 -10.818 -10.692 -12.119 1.00 0.00 N flip ATOM 0 H ASN B 28 -9.167 -8.453 -9.498 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.772 -6.397 -10.862 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -12.334 -8.245 -11.603 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -10.805 -8.173 -12.455 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -10.763 -10.349 -13.078 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.702 -11.687 -11.926 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.874 -7.284 -9.372 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.832 -7.388 -8.285 1.00 0.00 C ATOM 1779 C ILE B 29 -13.843 -8.826 -7.731 1.00 0.00 C ATOM 1780 O ILE B 29 -13.669 -9.787 -8.486 1.00 0.00 O ATOM 1781 CB ILE B 29 -15.263 -6.978 -8.772 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.364 -5.458 -9.035 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -16.359 -7.419 -7.801 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -15.122 -4.593 -7.820 1.00 0.00 C ATOM 0 H ILE B 29 -13.296 -7.089 -10.280 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.535 -6.706 -7.489 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.423 -7.504 -9.713 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.644 -5.187 -9.807 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.355 -5.236 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -17.331 -7.110 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.338 -8.504 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -16.190 -6.958 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -15.213 -3.543 -8.097 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.858 -4.830 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -14.120 -4.781 -7.433 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.973 -8.927 -6.410 1.00 0.00 N ATOM 1797 CA ASP B 30 -14.056 -10.183 -5.634 1.00 0.00 C ATOM 1798 C ASP B 30 -12.686 -10.847 -5.534 1.00 0.00 C ATOM 1799 O ASP B 30 -12.536 -11.959 -5.032 1.00 0.00 O ATOM 1800 CB ASP B 30 -15.144 -11.149 -6.183 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.456 -12.315 -5.248 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -16.278 -12.144 -4.310 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.920 -13.427 -5.436 1.00 0.00 O ATOM 0 H ASP B 30 -14.027 -8.101 -5.814 1.00 0.00 H new ATOM 0 HA ASP B 30 -14.373 -9.925 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -16.059 -10.586 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.816 -11.543 -7.145 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.662 -10.106 -5.912 1.00 0.00 N ATOM 1809 CA ASP B 31 -10.328 -10.622 -5.898 1.00 0.00 C ATOM 1810 C ASP B 31 -9.824 -10.463 -4.497 1.00 0.00 C ATOM 1811 O ASP B 31 -10.426 -9.735 -3.695 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.450 -9.842 -6.867 1.00 0.00 C ATOM 1813 CG ASP B 31 -8.284 -10.641 -7.441 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.605 -11.367 -6.695 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -8.073 -10.594 -8.686 1.00 0.00 O ATOM 0 H ASP B 31 -11.741 -9.141 -6.232 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.307 -11.667 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -10.068 -9.482 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.056 -8.964 -6.356 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.772 -11.085 -4.212 1.00 0.00 N ATOM 1821 CA GLU B 32 -8.234 -11.133 -2.909 1.00 0.00 C ATOM 1822 C GLU B 32 -6.906 -10.396 -2.887 1.00 0.00 C ATOM 1823 O GLU B 32 -6.053 -10.621 -3.756 1.00 0.00 O ATOM 1824 CB GLU B 32 -8.075 -12.600 -2.534 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.396 -12.835 -1.226 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.193 -14.284 -0.941 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -8.123 -14.954 -0.470 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -6.093 -14.788 -1.188 1.00 0.00 O ATOM 0 H GLU B 32 -8.226 -11.603 -4.900 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.887 -10.647 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -9.061 -13.063 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.509 -13.103 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.431 -12.329 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.989 -12.390 -0.427 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.727 -9.484 -1.941 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.469 -8.770 -1.876 1.00 0.00 C ATOM 1837 C VAL B 33 -4.838 -8.961 -0.516 1.00 0.00 C ATOM 1838 O VAL B 33 -5.542 -9.239 0.460 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.560 -7.238 -2.252 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.574 -7.006 -3.334 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.841 -6.328 -1.066 1.00 0.00 C ATOM 0 H VAL B 33 -7.415 -9.230 -1.232 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.834 -9.207 -2.646 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.569 -6.970 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.615 -5.943 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.291 -7.567 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.554 -7.339 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.889 -5.293 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.792 -6.605 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.044 -6.432 -0.330 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.541 -8.862 -0.455 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.836 -9.013 0.776 1.00 0.00 C ATOM 1853 C LYS B 34 -2.346 -7.648 1.262 1.00 0.00 C ATOM 1854 O LYS B 34 -1.596 -6.951 0.570 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.685 -9.972 0.546 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.080 -10.588 1.781 1.00 0.00 C ATOM 1857 CD LYS B 34 -0.156 -11.741 1.395 1.00 0.00 C ATOM 1858 CE LYS B 34 1.013 -11.296 0.515 1.00 0.00 C ATOM 1859 NZ LYS B 34 1.976 -10.455 1.252 1.00 0.00 N ATOM 0 H LYS B 34 -2.946 -8.674 -1.261 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.487 -9.419 1.550 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -2.032 -10.775 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.900 -9.443 0.006 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -0.521 -9.834 2.336 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.869 -10.949 2.440 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.234 -12.207 2.300 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.732 -12.501 0.868 1.00 0.00 H new ATOM 0 HE2 LYS B 34 1.526 -12.174 0.123 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.630 -10.742 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.793 -10.247 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.517 -9.565 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.298 -10.960 2.102 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.834 -7.257 2.402 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.455 -6.026 3.032 1.00 0.00 C ATOM 1875 C ILE B 35 -1.358 -6.356 4.018 1.00 0.00 C ATOM 1876 O ILE B 35 -1.578 -7.096 4.986 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.632 -5.323 3.813 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -4.843 -4.988 2.924 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.151 -4.064 4.498 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.733 -6.158 2.611 1.00 0.00 C ATOM 0 H ILE B 35 -3.520 -7.795 2.931 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.142 -5.331 2.253 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.965 -6.048 4.556 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.437 -4.218 3.417 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.483 -4.562 1.988 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -3.981 -3.599 5.029 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.362 -4.314 5.207 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.763 -3.370 3.753 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.559 -5.829 1.981 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.159 -6.922 2.087 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.128 -6.573 3.538 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.204 -5.862 3.763 1.00 0.00 N ATOM 1893 CA ASP B 36 0.939 -6.118 4.602 1.00 0.00 C ATOM 1894 C ASP B 36 1.381 -4.849 5.278 1.00 0.00 C ATOM 1895 O ASP B 36 1.527 -3.811 4.636 1.00 0.00 O ATOM 1896 CB ASP B 36 2.092 -6.719 3.772 1.00 0.00 C ATOM 1897 CG ASP B 36 1.943 -8.176 3.447 1.00 0.00 C ATOM 1898 OD1 ASP B 36 0.987 -8.559 2.779 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.837 -8.960 3.784 1.00 0.00 O ATOM 0 H ASP B 36 -0.009 -5.261 2.962 1.00 0.00 H new ATOM 0 HA ASP B 36 0.656 -6.839 5.368 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.179 -6.161 2.840 1.00 0.00 H new ATOM 0 HB3 ASP B 36 3.025 -6.577 4.317 1.00 0.00 H new ATOM 1904 N LEU B 37 1.554 -4.899 6.570 1.00 0.00 N ATOM 1905 CA LEU B 37 2.010 -3.808 7.290 1.00 0.00 C ATOM 1906 C LEU B 37 3.505 -3.938 7.348 1.00 0.00 C ATOM 1907 O LEU B 37 4.044 -4.958 7.786 1.00 0.00 O ATOM 1908 CB LEU B 37 1.379 -3.831 8.678 1.00 0.00 C ATOM 1909 CG LEU B 37 1.604 -2.633 9.607 1.00 0.00 C ATOM 1910 CD1 LEU B 37 3.002 -2.619 10.166 1.00 0.00 C ATOM 1911 CD2 LEU B 37 1.300 -1.350 8.887 1.00 0.00 C ATOM 0 H LEU B 37 1.370 -5.728 7.136 1.00 0.00 H new ATOM 0 HA LEU B 37 1.740 -2.857 6.831 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.303 -3.953 8.550 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.742 -4.721 9.192 1.00 0.00 H new ATOM 0 HG LEU B 37 0.920 -2.729 10.450 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.124 -1.755 10.820 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.175 -3.532 10.735 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.720 -2.559 9.348 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.464 -0.508 9.559 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.954 -1.255 8.020 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.261 -1.355 8.558 1.00 0.00 H new ATOM 1923 N VAL B 38 4.148 -2.931 6.926 1.00 0.00 N ATOM 1924 CA VAL B 38 5.594 -2.923 6.820 1.00 0.00 C ATOM 1925 C VAL B 38 6.121 -1.555 7.200 1.00 0.00 C ATOM 1926 O VAL B 38 5.879 -0.585 6.480 1.00 0.00 O ATOM 1927 CB VAL B 38 6.085 -3.260 5.357 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.600 -3.258 5.269 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.544 -4.599 4.854 1.00 0.00 C ATOM 0 H VAL B 38 3.704 -2.061 6.632 1.00 0.00 H new ATOM 0 HA VAL B 38 5.973 -3.690 7.495 1.00 0.00 H new ATOM 0 HB VAL B 38 5.688 -2.474 4.715 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.906 -3.493 4.250 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.979 -2.274 5.543 1.00 0.00 H new ATOM 0 HG13 VAL B 38 8.005 -4.006 5.951 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.911 -4.783 3.844 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.881 -5.398 5.514 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.454 -4.571 4.845 1.00 0.00 H new ATOM 1939 N ASP B 39 6.792 -1.472 8.351 1.00 0.00 N ATOM 1940 CA ASP B 39 7.441 -0.223 8.834 1.00 0.00 C ATOM 1941 C ASP B 39 6.440 0.874 9.114 1.00 0.00 C ATOM 1942 O ASP B 39 6.761 2.053 9.041 1.00 0.00 O ATOM 1943 CB ASP B 39 8.518 0.284 7.849 1.00 0.00 C ATOM 1944 CG ASP B 39 9.788 -0.521 7.880 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.839 -1.623 7.279 1.00 0.00 O ATOM 1946 OD2 ASP B 39 10.783 -0.051 8.495 1.00 0.00 O ATOM 0 H ASP B 39 6.908 -2.263 8.985 1.00 0.00 H new ATOM 0 HA ASP B 39 7.927 -0.483 9.774 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.111 0.267 6.838 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.751 1.323 8.081 1.00 0.00 H new ATOM 1951 N GLY B 40 5.246 0.486 9.486 1.00 0.00 N ATOM 1952 CA GLY B 40 4.201 1.453 9.750 1.00 0.00 C ATOM 1953 C GLY B 40 3.603 2.000 8.475 1.00 0.00 C ATOM 1954 O GLY B 40 3.035 3.082 8.459 1.00 0.00 O ATOM 0 H GLY B 40 4.970 -0.488 9.614 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.418 0.987 10.347 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.607 2.274 10.342 1.00 0.00 H new ATOM 1958 N LYS B 41 3.768 1.272 7.405 1.00 0.00 N ATOM 1959 CA LYS B 41 3.221 1.640 6.142 1.00 0.00 C ATOM 1960 C LYS B 41 2.348 0.490 5.694 1.00 0.00 C ATOM 1961 O LYS B 41 2.689 -0.681 5.952 1.00 0.00 O ATOM 1962 CB LYS B 41 4.347 1.800 5.123 1.00 0.00 C ATOM 1963 CG LYS B 41 3.996 2.667 3.927 1.00 0.00 C ATOM 1964 CD LYS B 41 4.140 4.145 4.263 1.00 0.00 C ATOM 1965 CE LYS B 41 5.619 4.543 4.333 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.819 5.954 4.708 1.00 0.00 N ATOM 0 H LYS B 41 4.293 0.398 7.393 1.00 0.00 H new ATOM 0 HA LYS B 41 2.665 2.574 6.221 1.00 0.00 H new ATOM 0 HB2 LYS B 41 5.215 2.229 5.624 1.00 0.00 H new ATOM 0 HB3 LYS B 41 4.640 0.813 4.766 1.00 0.00 H new ATOM 0 HG2 LYS B 41 4.646 2.416 3.088 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.973 2.460 3.611 1.00 0.00 H new ATOM 0 HD2 LYS B 41 3.632 4.746 3.509 1.00 0.00 H new ATOM 0 HD3 LYS B 41 3.656 4.355 5.217 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.127 3.905 5.056 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.085 4.361 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.606 6.352 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 4.951 6.492 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 6.042 6.016 5.722 1.00 0.00 H new ATOM 1980 N LEU B 42 1.246 0.785 5.072 1.00 0.00 N ATOM 1981 CA LEU B 42 0.422 -0.259 4.533 1.00 0.00 C ATOM 1982 C LEU B 42 0.795 -0.516 3.121 1.00 0.00 C ATOM 1983 O LEU B 42 0.733 0.364 2.261 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.065 -0.002 4.691 1.00 0.00 C ATOM 1985 CG LEU B 42 -1.616 -0.223 6.082 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.062 0.236 6.156 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -1.522 -1.688 6.475 1.00 0.00 C ATOM 0 H LEU B 42 0.897 1.732 4.925 1.00 0.00 H new ATOM 0 HA LEU B 42 0.614 -1.157 5.120 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.272 1.026 4.395 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.604 -0.648 3.998 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.018 0.364 6.779 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.445 0.071 7.163 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.120 1.298 5.916 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -3.661 -0.331 5.443 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.924 -1.822 7.479 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.095 -2.291 5.771 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -0.479 -2.003 6.457 1.00 0.00 H new ATOM 1999 N ILE B 43 1.224 -1.687 2.905 1.00 0.00 N ATOM 2000 CA ILE B 43 1.692 -2.111 1.627 1.00 0.00 C ATOM 2001 C ILE B 43 0.662 -3.035 1.030 1.00 0.00 C ATOM 2002 O ILE B 43 0.258 -4.021 1.650 1.00 0.00 O ATOM 2003 CB ILE B 43 3.044 -2.843 1.767 1.00 0.00 C ATOM 2004 CG1 ILE B 43 4.053 -1.984 2.538 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.605 -3.290 0.421 1.00 0.00 C ATOM 2006 CD1 ILE B 43 4.391 -0.655 1.912 1.00 0.00 C ATOM 0 H ILE B 43 1.267 -2.411 3.622 1.00 0.00 H new ATOM 0 HA ILE B 43 1.841 -1.246 0.980 1.00 0.00 H new ATOM 0 HB ILE B 43 2.860 -3.750 2.343 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.660 -1.804 3.539 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.974 -2.555 2.655 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.556 -3.799 0.574 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.902 -3.971 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.758 -2.419 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE B 43 5.112 -0.130 2.539 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.820 -0.817 0.923 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.486 -0.055 1.821 1.00 0.00 H new ATOM 2018 N ILE B 44 0.208 -2.687 -0.119 1.00 0.00 N ATOM 2019 CA ILE B 44 -0.793 -3.455 -0.810 1.00 0.00 C ATOM 2020 C ILE B 44 -0.140 -4.321 -1.870 1.00 0.00 C ATOM 2021 O ILE B 44 0.455 -3.819 -2.846 1.00 0.00 O ATOM 2022 CB ILE B 44 -1.871 -2.547 -1.461 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -2.565 -1.664 -0.406 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -2.905 -3.369 -2.242 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.290 -2.429 0.690 1.00 0.00 C ATOM 0 H ILE B 44 0.516 -1.854 -0.621 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.291 -4.087 -0.074 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.359 -1.895 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -1.818 -1.018 0.055 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.280 -1.014 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -3.643 -2.700 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.404 -3.928 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.403 -4.064 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.747 -1.724 1.385 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.065 -3.054 0.246 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.579 -3.058 1.226 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.231 -5.594 -1.663 1.00 0.00 N ATOM 2038 CA GLU B 45 0.305 -6.593 -2.547 1.00 0.00 C ATOM 2039 C GLU B 45 -0.895 -7.396 -3.024 1.00 0.00 C ATOM 2040 O GLU B 45 -1.785 -7.690 -2.224 1.00 0.00 O ATOM 2041 CB GLU B 45 1.237 -7.498 -1.711 1.00 0.00 C ATOM 2042 CG GLU B 45 1.943 -8.635 -2.445 1.00 0.00 C ATOM 2043 CD GLU B 45 3.026 -8.157 -3.362 1.00 0.00 C ATOM 2044 OE1 GLU B 45 4.012 -7.602 -2.864 1.00 0.00 O ATOM 2045 OE2 GLU B 45 2.939 -8.366 -4.596 1.00 0.00 O ATOM 0 H GLU B 45 -0.697 -5.988 -0.845 1.00 0.00 H new ATOM 0 HA GLU B 45 0.862 -6.176 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.998 -6.867 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.651 -7.931 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.370 -9.322 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.209 -9.199 -3.021 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.009 -7.748 -4.288 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.098 -8.515 -4.709 1.00 0.00 C ATOM 2054 C PRO B 46 -1.781 -9.977 -4.529 1.00 0.00 C ATOM 2055 O PRO B 46 -0.604 -10.375 -4.393 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.281 -8.164 -6.179 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.111 -7.329 -6.531 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.117 -7.483 -5.394 1.00 0.00 C ATOM 0 HA PRO B 46 -3.006 -8.316 -4.140 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.323 -9.062 -6.795 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.213 -7.623 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -0.674 -7.652 -7.476 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -1.401 -6.286 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.583 -8.301 -5.565 1.00 0.00 H new ATOM 0 HD3 PRO B 46 0.477 -6.582 -5.239 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.770 -10.767 -4.530 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.549 -12.168 -4.347 1.00 0.00 C ATOM 2068 C VAL B 47 -2.491 -12.766 -5.696 1.00 0.00 C ATOM 2069 O VAL B 47 -3.508 -12.860 -6.403 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.596 -12.873 -3.469 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -3.181 -14.282 -3.235 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.702 -12.201 -2.147 1.00 0.00 C ATOM 0 H VAL B 47 -3.743 -10.488 -4.653 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.618 -12.304 -3.797 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.556 -12.833 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.923 -14.781 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -3.100 -14.801 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -2.215 -14.298 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -4.447 -12.712 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.736 -12.235 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -4.000 -11.162 -2.290 1.00 0.00 H new