USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 HIS : no HE2:sc= 0.853 K(o=0.85,f=-2.6!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -159:sc= -1.69! USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.05) USER MOD Single : A 11 ASN : amide:sc= -0.014 K(o=-0.014,f=-1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 22 MET CE :methyl -154:sc= -0.306 (180deg=-1.15) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN :FLIP amide:sc=-0.000422 F(o=-0.6,f=-0.00042) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= 1.19 (180deg=0.9) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : B 3 HIS : no HE2:sc= 0.673 K(o=0.67,f=-2.1!) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -147:sc= -2.04! USER MOD Single : B 7 LYS NZ :NH3+ -158:sc= 1.18 (180deg=1.08) USER MOD Single : B 11 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : B 22 MET CE :methyl -155:sc= -0.249 (180deg=-1.12) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -131:sc= 1.14 (180deg=0.271) USER MOD Single : B 41 LYS NZ :NH3+ 165:sc= 1.18 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.503 -9.859 6.333 1.00 0.00 N ATOM 280 CA ILE A 2 -3.945 -9.872 6.394 1.00 0.00 C ATOM 281 C ILE A 2 -4.474 -10.138 4.995 1.00 0.00 C ATOM 282 O ILE A 2 -4.095 -9.451 4.039 1.00 0.00 O ATOM 283 CB ILE A 2 -4.516 -8.516 6.916 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.021 -8.226 8.341 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.047 -8.499 6.857 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.463 -6.886 8.899 1.00 0.00 C ATOM 0 HA ILE A 2 -4.260 -10.649 7.090 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.148 -7.726 6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.375 -9.016 9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.932 -8.268 8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.415 -7.542 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.373 -8.639 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.444 -9.304 7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.069 -6.764 9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.086 -6.085 8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.552 -6.845 8.927 1.00 0.00 H new ATOM 298 N HIS A 3 -5.319 -11.121 4.858 1.00 0.00 N ATOM 299 CA HIS A 3 -5.857 -11.433 3.567 1.00 0.00 C ATOM 300 C HIS A 3 -7.297 -10.972 3.489 1.00 0.00 C ATOM 301 O HIS A 3 -8.122 -11.288 4.355 1.00 0.00 O ATOM 302 CB HIS A 3 -5.680 -12.941 3.161 1.00 0.00 C ATOM 303 CG HIS A 3 -6.447 -13.968 3.969 1.00 0.00 C ATOM 304 ND1 HIS A 3 -7.621 -14.556 3.536 1.00 0.00 N ATOM 305 CD2 HIS A 3 -6.176 -14.531 5.181 1.00 0.00 C ATOM 306 CE1 HIS A 3 -8.021 -15.419 4.469 1.00 0.00 C ATOM 307 NE2 HIS A 3 -7.178 -15.447 5.495 1.00 0.00 N ATOM 0 H HIS A 3 -5.647 -11.715 5.619 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.276 -10.884 2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.972 -13.046 2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.620 -13.186 3.222 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -8.098 -14.363 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.320 -14.303 5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.916 -16.019 4.400 1.00 0.00 H new ATOM 315 N SER A 4 -7.563 -10.168 2.522 1.00 0.00 N ATOM 316 CA SER A 4 -8.878 -9.639 2.264 1.00 0.00 C ATOM 317 C SER A 4 -9.115 -9.685 0.776 1.00 0.00 C ATOM 318 O SER A 4 -8.363 -10.323 0.076 1.00 0.00 O ATOM 319 CB SER A 4 -8.983 -8.206 2.782 1.00 0.00 C ATOM 320 OG SER A 4 -8.945 -8.156 4.200 1.00 0.00 O ATOM 0 H SER A 4 -6.857 -9.843 1.861 1.00 0.00 H new ATOM 0 HA SER A 4 -9.633 -10.233 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.165 -7.611 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.911 -7.758 2.427 1.00 0.00 H new ATOM 0 HG SER A 4 -9.013 -7.224 4.496 1.00 0.00 H new ATOM 326 N SER A 5 -10.115 -9.016 0.294 1.00 0.00 N ATOM 327 CA SER A 5 -10.412 -9.035 -1.107 1.00 0.00 C ATOM 328 C SER A 5 -11.025 -7.720 -1.532 1.00 0.00 C ATOM 329 O SER A 5 -11.633 -7.021 -0.720 1.00 0.00 O ATOM 330 CB SER A 5 -11.339 -10.222 -1.452 1.00 0.00 C ATOM 331 OG SER A 5 -12.530 -10.194 -0.683 1.00 0.00 O ATOM 0 H SER A 5 -10.746 -8.444 0.855 1.00 0.00 H new ATOM 0 HA SER A 5 -9.482 -9.169 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.589 -10.193 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.812 -11.160 -1.274 1.00 0.00 H new ATOM 0 HG SER A 5 -12.929 -11.089 -0.665 1.00 0.00 H new ATOM 337 N VAL A 6 -10.822 -7.362 -2.764 1.00 0.00 N ATOM 338 CA VAL A 6 -11.418 -6.165 -3.318 1.00 0.00 C ATOM 339 C VAL A 6 -12.868 -6.450 -3.605 1.00 0.00 C ATOM 340 O VAL A 6 -13.177 -7.332 -4.394 1.00 0.00 O ATOM 341 CB VAL A 6 -10.718 -5.742 -4.627 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.323 -4.468 -5.188 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.252 -5.558 -4.383 1.00 0.00 C ATOM 0 H VAL A 6 -10.241 -7.885 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.311 -5.352 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.864 -6.532 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.809 -4.196 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.381 -4.629 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.215 -3.663 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.763 -5.260 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.103 -4.785 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.821 -6.495 -4.031 1.00 0.00 H new ATOM 353 N LYS A 7 -13.746 -5.758 -2.967 1.00 0.00 N ATOM 354 CA LYS A 7 -15.135 -5.999 -3.177 1.00 0.00 C ATOM 355 C LYS A 7 -15.722 -4.826 -3.948 1.00 0.00 C ATOM 356 O LYS A 7 -15.052 -3.812 -4.136 1.00 0.00 O ATOM 357 CB LYS A 7 -15.836 -6.194 -1.846 1.00 0.00 C ATOM 358 CG LYS A 7 -15.405 -7.403 -1.032 1.00 0.00 C ATOM 359 CD LYS A 7 -15.858 -8.687 -1.682 1.00 0.00 C ATOM 360 CE LYS A 7 -15.698 -9.861 -0.737 1.00 0.00 C ATOM 361 NZ LYS A 7 -16.274 -11.091 -1.292 1.00 0.00 N ATOM 0 H LYS A 7 -13.530 -5.021 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.277 -6.910 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.679 -5.300 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.908 -6.270 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.320 -7.407 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.820 -7.335 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.902 -8.598 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.279 -8.864 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.640 -10.018 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.180 -9.631 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.013 -11.899 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.310 -11.005 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.908 -11.243 -2.254 1.00 0.00 H new ATOM 375 N ARG A 8 -16.931 -4.953 -4.406 1.00 0.00 N ATOM 376 CA ARG A 8 -17.542 -3.904 -5.175 1.00 0.00 C ATOM 377 C ARG A 8 -18.486 -3.105 -4.297 1.00 0.00 C ATOM 378 O ARG A 8 -19.390 -3.666 -3.694 1.00 0.00 O ATOM 379 CB ARG A 8 -18.318 -4.479 -6.332 1.00 0.00 C ATOM 380 CG ARG A 8 -18.594 -3.464 -7.412 1.00 0.00 C ATOM 381 CD ARG A 8 -19.517 -4.025 -8.444 1.00 0.00 C ATOM 382 NE ARG A 8 -18.999 -5.245 -9.088 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.797 -5.400 -10.406 1.00 0.00 C ATOM 384 NH1 ARG A 8 -19.040 -4.401 -11.243 1.00 0.00 N ATOM 385 NH2 ARG A 8 -18.365 -6.568 -10.880 1.00 0.00 N ATOM 0 H ARG A 8 -17.518 -5.775 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.753 -3.257 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.761 -5.314 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.263 -4.880 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.034 -2.569 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.658 -3.162 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.478 -4.248 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.700 -3.269 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.776 -6.036 -8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.382 -3.509 -10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.885 -4.525 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.188 -7.343 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.211 -6.687 -11.881 1.00 0.00 H new ATOM 399 N TRP A 9 -18.253 -1.830 -4.210 1.00 0.00 N ATOM 400 CA TRP A 9 -19.086 -0.895 -3.465 1.00 0.00 C ATOM 401 C TRP A 9 -19.746 0.017 -4.483 1.00 0.00 C ATOM 402 O TRP A 9 -19.124 0.969 -4.975 1.00 0.00 O ATOM 403 CB TRP A 9 -18.204 -0.089 -2.493 1.00 0.00 C ATOM 404 CG TRP A 9 -18.900 0.869 -1.562 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.227 0.926 -1.277 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.286 1.909 -0.756 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.467 1.882 -0.352 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.324 2.511 -0.035 1.00 0.00 C ATOM 409 CE3 TRP A 9 -16.971 2.399 -0.561 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.121 3.540 0.839 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.787 3.426 0.313 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.866 3.986 1.000 1.00 0.00 C ATOM 0 H TRP A 9 -17.456 -1.384 -4.665 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.844 -1.411 -2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.636 -0.796 -1.887 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.483 0.477 -3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -20.982 0.297 -1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.382 2.094 0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.135 1.968 -1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -19.944 3.980 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.792 3.813 0.478 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.685 4.803 1.682 1.00 0.00 H new ATOM 423 N GLY A 10 -20.960 -0.319 -4.860 1.00 0.00 N ATOM 424 CA GLY A 10 -21.637 0.414 -5.879 1.00 0.00 C ATOM 425 C GLY A 10 -21.023 0.064 -7.194 1.00 0.00 C ATOM 426 O GLY A 10 -20.923 -1.118 -7.538 1.00 0.00 O ATOM 0 H GLY A 10 -21.490 -1.098 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.700 0.171 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.555 1.485 -5.695 1.00 0.00 H new ATOM 430 N ASN A 11 -20.580 1.045 -7.907 1.00 0.00 N ATOM 431 CA ASN A 11 -19.871 0.812 -9.150 1.00 0.00 C ATOM 432 C ASN A 11 -18.363 0.949 -8.974 1.00 0.00 C ATOM 433 O ASN A 11 -17.635 1.077 -9.963 1.00 0.00 O ATOM 434 CB ASN A 11 -20.333 1.778 -10.245 1.00 0.00 C ATOM 435 CG ASN A 11 -21.673 1.430 -10.840 1.00 0.00 C ATOM 436 OD1 ASN A 11 -22.041 0.253 -10.934 1.00 0.00 O ATOM 437 ND2 ASN A 11 -22.405 2.425 -11.250 1.00 0.00 N ATOM 0 H ASN A 11 -20.691 2.028 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.101 -0.211 -9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.381 2.785 -9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.587 1.795 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.319 2.248 -11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.065 3.382 -11.154 1.00 0.00 H new ATOM 444 N SER A 12 -17.865 0.837 -7.755 1.00 0.00 N ATOM 445 CA SER A 12 -16.494 1.100 -7.513 1.00 0.00 C ATOM 446 C SER A 12 -15.895 0.012 -6.632 1.00 0.00 C ATOM 447 O SER A 12 -16.541 -0.470 -5.717 1.00 0.00 O ATOM 448 CB SER A 12 -16.364 2.457 -6.833 1.00 0.00 C ATOM 449 OG SER A 12 -17.024 3.469 -7.586 1.00 0.00 O ATOM 0 H SER A 12 -18.403 0.565 -6.932 1.00 0.00 H new ATOM 0 HA SER A 12 -15.952 1.110 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.790 2.408 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.310 2.712 -6.720 1.00 0.00 H new ATOM 0 HG SER A 12 -16.929 4.331 -7.130 1.00 0.00 H new ATOM 455 N PRO A 13 -14.703 -0.435 -6.954 1.00 0.00 N ATOM 456 CA PRO A 13 -13.970 -1.394 -6.136 1.00 0.00 C ATOM 457 C PRO A 13 -13.522 -0.761 -4.810 1.00 0.00 C ATOM 458 O PRO A 13 -12.938 0.332 -4.787 1.00 0.00 O ATOM 459 CB PRO A 13 -12.761 -1.759 -6.997 1.00 0.00 C ATOM 460 CG PRO A 13 -12.627 -0.658 -7.987 1.00 0.00 C ATOM 461 CD PRO A 13 -13.985 -0.066 -8.170 1.00 0.00 C ATOM 0 HA PRO A 13 -14.574 -2.260 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.861 -1.851 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.909 -2.717 -7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.923 0.095 -7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.241 -1.036 -8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.935 1.016 -8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.476 -0.463 -9.058 1.00 0.00 H new ATOM 469 N ALA A 14 -13.805 -1.430 -3.726 1.00 0.00 N ATOM 470 CA ALA A 14 -13.493 -0.937 -2.421 1.00 0.00 C ATOM 471 C ALA A 14 -12.800 -2.007 -1.596 1.00 0.00 C ATOM 472 O ALA A 14 -13.134 -3.201 -1.689 1.00 0.00 O ATOM 473 CB ALA A 14 -14.756 -0.472 -1.733 1.00 0.00 C ATOM 0 H ALA A 14 -14.263 -2.341 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.812 -0.091 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.512 -0.097 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.217 0.324 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.451 -1.307 -1.646 1.00 0.00 H new ATOM 479 N VAL A 15 -11.825 -1.592 -0.835 1.00 0.00 N ATOM 480 CA VAL A 15 -11.099 -2.479 0.044 1.00 0.00 C ATOM 481 C VAL A 15 -11.420 -2.116 1.484 1.00 0.00 C ATOM 482 O VAL A 15 -11.353 -0.934 1.855 1.00 0.00 O ATOM 483 CB VAL A 15 -9.558 -2.392 -0.190 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.794 -3.294 0.780 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.218 -2.774 -1.617 1.00 0.00 C ATOM 0 H VAL A 15 -11.507 -0.623 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.407 -3.503 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.256 -1.360 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.724 -3.209 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.006 -2.988 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.107 -4.328 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.140 -2.708 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.549 -3.795 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.720 -2.094 -2.305 1.00 0.00 H new ATOM 495 N ARG A 16 -11.809 -3.102 2.267 1.00 0.00 N ATOM 496 CA ARG A 16 -12.109 -2.900 3.667 1.00 0.00 C ATOM 497 C ARG A 16 -10.834 -2.723 4.475 1.00 0.00 C ATOM 498 O ARG A 16 -9.882 -3.504 4.333 1.00 0.00 O ATOM 499 CB ARG A 16 -12.868 -4.081 4.238 1.00 0.00 C ATOM 500 CG ARG A 16 -14.294 -4.247 3.783 1.00 0.00 C ATOM 501 CD ARG A 16 -14.879 -5.435 4.500 1.00 0.00 C ATOM 502 NE ARG A 16 -16.314 -5.629 4.282 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.066 -6.478 4.999 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.514 -7.199 5.974 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.356 -6.593 4.750 1.00 0.00 N ATOM 0 H ARG A 16 -11.925 -4.064 1.950 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.721 -2.000 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.322 -4.991 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.864 -3.996 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.871 -3.348 4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.334 -4.396 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.351 -6.333 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.698 -5.323 5.569 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.767 -5.089 3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.519 -7.106 6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.087 -7.844 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.784 -6.036 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.925 -7.239 5.297 1.00 0.00 H new ATOM 519 N ILE A 17 -10.819 -1.725 5.313 1.00 0.00 N ATOM 520 CA ILE A 17 -9.709 -1.487 6.206 1.00 0.00 C ATOM 521 C ILE A 17 -10.076 -2.061 7.575 1.00 0.00 C ATOM 522 O ILE A 17 -11.185 -1.837 8.050 1.00 0.00 O ATOM 523 CB ILE A 17 -9.391 0.045 6.348 1.00 0.00 C ATOM 524 CG1 ILE A 17 -9.022 0.674 4.994 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.294 0.315 7.382 1.00 0.00 C ATOM 526 CD1 ILE A 17 -7.820 0.061 4.296 1.00 0.00 C ATOM 0 H ILE A 17 -11.577 -1.048 5.400 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.819 -1.967 5.800 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.305 0.518 6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.884 0.598 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.830 1.736 5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.109 1.387 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.613 -0.056 8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.378 -0.194 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.646 0.577 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.940 0.161 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.011 -0.995 4.103 1.00 0.00 H new ATOM 538 N PRO A 18 -9.199 -2.876 8.189 1.00 0.00 N ATOM 539 CA PRO A 18 -9.444 -3.406 9.530 1.00 0.00 C ATOM 540 C PRO A 18 -9.564 -2.282 10.564 1.00 0.00 C ATOM 541 O PRO A 18 -8.704 -1.375 10.623 1.00 0.00 O ATOM 542 CB PRO A 18 -8.205 -4.271 9.832 1.00 0.00 C ATOM 543 CG PRO A 18 -7.187 -3.900 8.803 1.00 0.00 C ATOM 544 CD PRO A 18 -7.934 -3.366 7.617 1.00 0.00 C ATOM 0 HA PRO A 18 -10.378 -3.965 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.831 -4.080 10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.447 -5.332 9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.499 -3.151 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.589 -4.767 8.523 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.382 -2.566 7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.106 -4.142 6.871 1.00 0.00 H new ATOM 552 N ALA A 19 -10.612 -2.346 11.381 1.00 0.00 N ATOM 553 CA ALA A 19 -10.879 -1.348 12.420 1.00 0.00 C ATOM 554 C ALA A 19 -9.715 -1.254 13.396 1.00 0.00 C ATOM 555 O ALA A 19 -9.441 -0.188 13.952 1.00 0.00 O ATOM 556 CB ALA A 19 -12.168 -1.677 13.158 1.00 0.00 C ATOM 0 H ALA A 19 -11.305 -3.094 11.343 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.995 -0.378 11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.350 -0.925 13.926 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.999 -1.684 12.453 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.080 -2.658 13.625 1.00 0.00 H new ATOM 562 N THR A 20 -9.022 -2.366 13.567 1.00 0.00 N ATOM 563 CA THR A 20 -7.849 -2.450 14.401 1.00 0.00 C ATOM 564 C THR A 20 -6.787 -1.427 13.935 1.00 0.00 C ATOM 565 O THR A 20 -6.214 -0.703 14.732 1.00 0.00 O ATOM 566 CB THR A 20 -7.264 -3.862 14.279 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.342 -4.812 14.320 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.318 -4.152 15.424 1.00 0.00 C ATOM 0 H THR A 20 -9.268 -3.249 13.119 1.00 0.00 H new ATOM 0 HA THR A 20 -8.123 -2.234 15.434 1.00 0.00 H new ATOM 0 HB THR A 20 -6.714 -3.936 13.341 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.981 -5.720 14.241 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.915 -5.159 15.317 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.501 -3.431 15.412 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.856 -4.075 16.369 1.00 0.00 H new ATOM 576 N LEU A 21 -6.607 -1.332 12.624 1.00 0.00 N ATOM 577 CA LEU A 21 -5.598 -0.459 12.027 1.00 0.00 C ATOM 578 C LEU A 21 -6.034 0.951 12.039 1.00 0.00 C ATOM 579 O LEU A 21 -5.225 1.852 12.158 1.00 0.00 O ATOM 580 CB LEU A 21 -5.266 -0.892 10.617 1.00 0.00 C ATOM 581 CG LEU A 21 -4.203 -1.969 10.479 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.829 -1.394 10.796 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.483 -3.152 11.390 1.00 0.00 C ATOM 0 H LEU A 21 -7.155 -1.857 11.942 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.697 -0.543 12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.180 -1.251 10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.940 -0.015 10.057 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.224 -2.322 9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.075 -2.175 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.606 -0.582 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.821 -1.013 11.817 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.702 -3.902 11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.500 -2.817 12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.449 -3.588 11.134 1.00 0.00 H new ATOM 595 N MET A 22 -7.309 1.130 11.897 1.00 0.00 N ATOM 596 CA MET A 22 -7.935 2.453 12.023 1.00 0.00 C ATOM 597 C MET A 22 -7.503 3.095 13.310 1.00 0.00 C ATOM 598 O MET A 22 -6.971 4.205 13.327 1.00 0.00 O ATOM 599 CB MET A 22 -9.455 2.340 12.013 1.00 0.00 C ATOM 600 CG MET A 22 -10.067 1.869 10.716 1.00 0.00 C ATOM 601 SD MET A 22 -9.992 3.101 9.418 1.00 0.00 S ATOM 602 CE MET A 22 -10.992 4.397 10.154 1.00 0.00 C ATOM 0 H MET A 22 -7.965 0.377 11.690 1.00 0.00 H new ATOM 0 HA MET A 22 -7.620 3.060 11.174 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.755 1.654 12.805 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.875 3.315 12.259 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.552 0.968 10.384 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.108 1.596 10.890 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.432 5.009 9.366 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.786 3.949 10.752 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.366 5.022 10.792 1.00 0.00 H new ATOM 612 N GLN A 23 -7.689 2.365 14.368 1.00 0.00 N ATOM 613 CA GLN A 23 -7.304 2.794 15.686 1.00 0.00 C ATOM 614 C GLN A 23 -5.800 2.825 15.837 1.00 0.00 C ATOM 615 O GLN A 23 -5.258 3.687 16.521 1.00 0.00 O ATOM 616 CB GLN A 23 -7.880 1.867 16.730 1.00 0.00 C ATOM 617 CG GLN A 23 -9.381 1.820 16.729 1.00 0.00 C ATOM 618 CD GLN A 23 -9.937 0.922 17.814 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.331 0.756 18.887 1.00 0.00 O ATOM 620 NE2 GLN A 23 -11.086 0.353 17.572 1.00 0.00 N ATOM 0 H GLN A 23 -8.119 1.440 14.344 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.695 3.802 15.827 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.493 0.862 16.564 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.535 2.183 17.715 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.772 2.829 16.862 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.729 1.468 15.758 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.556 0.511 16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.514 -0.250 18.274 1.00 0.00 H new ATOM 629 N ALA A 24 -5.127 1.925 15.157 1.00 0.00 N ATOM 630 CA ALA A 24 -3.669 1.795 15.321 1.00 0.00 C ATOM 631 C ALA A 24 -2.950 2.975 14.701 1.00 0.00 C ATOM 632 O ALA A 24 -1.950 3.466 15.220 1.00 0.00 O ATOM 633 CB ALA A 24 -3.157 0.487 14.728 1.00 0.00 C ATOM 0 H ALA A 24 -5.544 1.274 14.491 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.458 1.784 16.390 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.078 0.423 14.866 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.638 -0.353 15.230 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.389 0.455 13.664 1.00 0.00 H new ATOM 639 N LEU A 25 -3.491 3.443 13.617 1.00 0.00 N ATOM 640 CA LEU A 25 -2.940 4.549 12.889 1.00 0.00 C ATOM 641 C LEU A 25 -3.561 5.852 13.344 1.00 0.00 C ATOM 642 O LEU A 25 -3.097 6.943 12.979 1.00 0.00 O ATOM 643 CB LEU A 25 -3.180 4.310 11.423 1.00 0.00 C ATOM 644 CG LEU A 25 -2.491 3.065 10.878 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.960 2.767 9.489 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.986 3.237 10.903 1.00 0.00 C ATOM 0 H LEU A 25 -4.343 3.061 13.205 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.869 4.627 13.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.253 4.224 11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.835 5.179 10.862 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.754 2.222 11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.456 1.874 9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.037 2.599 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.729 3.610 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.510 2.338 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.707 4.093 10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.656 3.404 11.928 1.00 0.00 H new ATOM 658 N ASN A 26 -4.622 5.717 14.150 1.00 0.00 N ATOM 659 CA ASN A 26 -5.376 6.839 14.735 1.00 0.00 C ATOM 660 C ASN A 26 -6.053 7.666 13.664 1.00 0.00 C ATOM 661 O ASN A 26 -6.361 8.844 13.865 1.00 0.00 O ATOM 662 CB ASN A 26 -4.493 7.724 15.639 1.00 0.00 C ATOM 663 CG ASN A 26 -4.064 7.021 16.911 1.00 0.00 C ATOM 664 OD1 ASN A 26 -4.761 7.066 17.922 1.00 0.00 O ATOM 665 ND2 ASN A 26 -2.912 6.385 16.888 1.00 0.00 N ATOM 0 H ASN A 26 -4.990 4.805 14.421 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.150 6.403 15.366 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.607 8.033 15.084 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.040 8.631 15.897 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.574 5.911 17.726 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.357 6.366 16.033 1.00 0.00 H new ATOM 672 N LEU A 27 -6.354 7.035 12.552 1.00 0.00 N ATOM 673 CA LEU A 27 -6.951 7.713 11.455 1.00 0.00 C ATOM 674 C LEU A 27 -8.477 7.591 11.549 1.00 0.00 C ATOM 675 O LEU A 27 -8.992 6.945 12.474 1.00 0.00 O ATOM 676 CB LEU A 27 -6.354 7.195 10.123 1.00 0.00 C ATOM 677 CG LEU A 27 -6.664 5.760 9.658 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.928 5.728 8.825 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.510 5.209 8.856 1.00 0.00 C ATOM 0 H LEU A 27 -6.187 6.041 12.396 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.724 8.779 11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.682 7.872 9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.270 7.288 10.193 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.813 5.141 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.128 4.705 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.765 6.094 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.802 6.362 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.743 4.194 8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.342 5.838 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.611 5.197 9.473 1.00 0.00 H new ATOM 691 N ASN A 28 -9.191 8.196 10.632 1.00 0.00 N ATOM 692 CA ASN A 28 -10.667 8.197 10.693 1.00 0.00 C ATOM 693 C ASN A 28 -11.324 8.115 9.326 1.00 0.00 C ATOM 694 O ASN A 28 -10.673 7.942 8.318 1.00 0.00 O ATOM 695 CB ASN A 28 -11.233 9.434 11.447 1.00 0.00 C ATOM 696 CG ASN A 28 -11.034 10.819 10.790 1.00 0.00 C ATOM 697 OD1 ASN A 28 -9.970 11.045 10.063 1.00 0.00 O flip ATOM 698 ND2 ASN A 28 -11.869 11.699 10.972 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.797 8.695 9.834 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.914 7.293 11.250 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.302 9.280 11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.778 9.462 12.437 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.694 11.509 11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.738 12.620 10.554 1.00 0.00 H new ATOM 705 N ILE A 29 -12.632 8.197 9.332 1.00 0.00 N ATOM 706 CA ILE A 29 -13.424 8.258 8.129 1.00 0.00 C ATOM 707 C ILE A 29 -13.333 9.689 7.582 1.00 0.00 C ATOM 708 O ILE A 29 -13.428 10.655 8.354 1.00 0.00 O ATOM 709 CB ILE A 29 -14.900 7.890 8.448 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.028 6.418 8.913 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.836 8.151 7.257 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.557 5.389 7.904 1.00 0.00 C ATOM 0 H ILE A 29 -13.185 8.224 10.188 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.054 7.549 7.388 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.210 8.543 9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.458 6.292 9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.072 6.218 9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.856 7.878 7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.801 9.208 6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.516 7.552 6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.685 4.389 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.143 5.481 6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.504 5.556 7.678 1.00 0.00 H new ATOM 724 N ASP A 30 -13.149 9.800 6.268 1.00 0.00 N ATOM 725 CA ASP A 30 -12.909 11.065 5.533 1.00 0.00 C ATOM 726 C ASP A 30 -11.494 11.493 5.650 1.00 0.00 C ATOM 727 O ASP A 30 -11.134 12.616 5.298 1.00 0.00 O ATOM 728 CB ASP A 30 -13.866 12.219 5.870 1.00 0.00 C ATOM 729 CG ASP A 30 -15.164 12.107 5.150 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.211 12.465 3.968 1.00 0.00 O ATOM 731 OD2 ASP A 30 -16.154 11.653 5.738 1.00 0.00 O ATOM 0 H ASP A 30 -13.161 8.987 5.652 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.131 10.821 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.049 12.234 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.392 13.167 5.615 1.00 0.00 H new ATOM 736 N ASP A 31 -10.677 10.578 6.098 1.00 0.00 N ATOM 737 CA ASP A 31 -9.268 10.813 6.223 1.00 0.00 C ATOM 738 C ASP A 31 -8.727 10.727 4.846 1.00 0.00 C ATOM 739 O ASP A 31 -8.861 9.678 4.189 1.00 0.00 O ATOM 740 CB ASP A 31 -8.649 9.715 7.036 1.00 0.00 C ATOM 741 CG ASP A 31 -7.450 10.125 7.853 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.409 10.511 7.291 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.543 10.045 9.108 1.00 0.00 O ATOM 0 H ASP A 31 -10.973 9.646 6.387 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.062 11.771 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.406 9.310 7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.354 8.909 6.365 1.00 0.00 H new ATOM 748 N GLU A 32 -8.219 11.803 4.371 1.00 0.00 N ATOM 749 CA GLU A 32 -7.684 11.844 3.072 1.00 0.00 C ATOM 750 C GLU A 32 -6.352 11.138 3.093 1.00 0.00 C ATOM 751 O GLU A 32 -5.565 11.321 4.020 1.00 0.00 O ATOM 752 CB GLU A 32 -7.625 13.290 2.551 1.00 0.00 C ATOM 753 CG GLU A 32 -7.045 13.413 1.166 1.00 0.00 C ATOM 754 CD GLU A 32 -7.381 14.716 0.496 1.00 0.00 C ATOM 755 OE1 GLU A 32 -6.698 15.724 0.727 1.00 0.00 O ATOM 756 OE2 GLU A 32 -8.366 14.748 -0.298 1.00 0.00 O ATOM 0 H GLU A 32 -8.165 12.685 4.881 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.325 11.320 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.632 13.708 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.030 13.890 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.961 13.310 1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.412 12.591 0.551 1.00 0.00 H new ATOM 763 N VAL A 33 -6.135 10.258 2.142 1.00 0.00 N ATOM 764 CA VAL A 33 -4.947 9.467 2.156 1.00 0.00 C ATOM 765 C VAL A 33 -4.165 9.588 0.868 1.00 0.00 C ATOM 766 O VAL A 33 -4.707 9.976 -0.185 1.00 0.00 O ATOM 767 CB VAL A 33 -5.205 7.953 2.489 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.152 7.808 3.634 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.742 7.183 1.307 1.00 0.00 C ATOM 0 H VAL A 33 -6.765 10.080 1.360 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.348 9.878 2.968 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.235 7.535 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.312 6.750 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.733 8.292 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.103 8.276 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.902 6.143 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.687 7.621 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.025 7.228 0.487 1.00 0.00 H new ATOM 779 N LYS A 34 -2.900 9.266 0.975 1.00 0.00 N ATOM 780 CA LYS A 34 -1.995 9.233 -0.146 1.00 0.00 C ATOM 781 C LYS A 34 -1.895 7.841 -0.727 1.00 0.00 C ATOM 782 O LYS A 34 -1.347 6.937 -0.094 1.00 0.00 O ATOM 783 CB LYS A 34 -0.585 9.667 0.268 1.00 0.00 C ATOM 784 CG LYS A 34 -0.346 11.163 0.347 1.00 0.00 C ATOM 785 CD LYS A 34 1.054 11.488 0.907 1.00 0.00 C ATOM 786 CE LYS A 34 2.179 10.743 0.165 1.00 0.00 C ATOM 787 NZ LYS A 34 2.259 11.087 -1.279 1.00 0.00 N ATOM 0 H LYS A 34 -2.462 9.015 1.861 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.396 9.922 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.364 9.232 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.127 9.242 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.452 11.601 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.106 11.620 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.228 12.562 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.087 11.227 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.133 10.974 0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.023 9.669 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.323 10.214 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.408 11.616 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.102 11.672 -1.450 1.00 0.00 H new ATOM 801 N ILE A 35 -2.430 7.655 -1.896 1.00 0.00 N ATOM 802 CA ILE A 35 -2.205 6.432 -2.607 1.00 0.00 C ATOM 803 C ILE A 35 -1.000 6.688 -3.478 1.00 0.00 C ATOM 804 O ILE A 35 -1.096 7.343 -4.531 1.00 0.00 O ATOM 805 CB ILE A 35 -3.414 5.943 -3.495 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.654 5.572 -2.663 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.013 4.764 -4.373 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.439 6.745 -2.134 1.00 0.00 C ATOM 0 H ILE A 35 -3.023 8.331 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.065 5.629 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.682 6.789 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.314 4.959 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.337 4.956 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.867 4.450 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.197 5.062 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.688 3.936 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.293 6.383 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.800 7.350 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.792 7.352 -2.968 1.00 0.00 H new ATOM 820 N ASP A 36 0.134 6.261 -3.012 1.00 0.00 N ATOM 821 CA ASP A 36 1.357 6.501 -3.731 1.00 0.00 C ATOM 822 C ASP A 36 1.643 5.247 -4.521 1.00 0.00 C ATOM 823 O ASP A 36 1.693 4.146 -3.955 1.00 0.00 O ATOM 824 CB ASP A 36 2.503 6.795 -2.743 1.00 0.00 C ATOM 825 CG ASP A 36 3.441 7.903 -3.196 1.00 0.00 C ATOM 826 OD1 ASP A 36 4.447 7.628 -3.886 1.00 0.00 O ATOM 827 OD2 ASP A 36 3.228 9.085 -2.814 1.00 0.00 O ATOM 0 H ASP A 36 0.243 5.745 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 36 1.268 7.364 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.076 7.067 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.081 5.883 -2.591 1.00 0.00 H new ATOM 832 N LEU A 37 1.759 5.389 -5.806 1.00 0.00 N ATOM 833 CA LEU A 37 1.943 4.323 -6.678 1.00 0.00 C ATOM 834 C LEU A 37 3.407 4.246 -7.018 1.00 0.00 C ATOM 835 O LEU A 37 4.027 5.232 -7.437 1.00 0.00 O ATOM 836 CB LEU A 37 1.075 4.593 -7.910 1.00 0.00 C ATOM 837 CG LEU A 37 0.897 3.503 -8.951 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.119 3.355 -9.813 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.536 2.214 -8.286 1.00 0.00 C ATOM 0 H LEU A 37 1.724 6.296 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 37 1.650 3.366 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.083 4.872 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.489 5.465 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 37 0.080 3.791 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.954 2.565 -10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.316 4.294 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.975 3.098 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.410 1.438 -9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.330 1.925 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.396 2.338 -7.734 1.00 0.00 H new ATOM 851 N VAL A 38 3.935 3.095 -6.857 1.00 0.00 N ATOM 852 CA VAL A 38 5.355 2.841 -7.070 1.00 0.00 C ATOM 853 C VAL A 38 5.528 1.474 -7.722 1.00 0.00 C ATOM 854 O VAL A 38 5.247 0.467 -7.101 1.00 0.00 O ATOM 855 CB VAL A 38 6.177 2.855 -5.723 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.664 2.652 -5.985 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.959 4.137 -4.924 1.00 0.00 C ATOM 0 H VAL A 38 3.407 2.271 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 38 5.734 3.638 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 38 5.805 2.023 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.205 2.666 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.819 1.692 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.033 3.452 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.546 4.098 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.273 4.995 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.902 4.235 -4.675 1.00 0.00 H new ATOM 867 N ASP A 39 5.910 1.458 -8.996 1.00 0.00 N ATOM 868 CA ASP A 39 6.203 0.205 -9.765 1.00 0.00 C ATOM 869 C ASP A 39 4.955 -0.632 -9.959 1.00 0.00 C ATOM 870 O ASP A 39 5.017 -1.821 -10.272 1.00 0.00 O ATOM 871 CB ASP A 39 7.304 -0.660 -9.091 1.00 0.00 C ATOM 872 CG ASP A 39 8.645 0.021 -8.990 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.240 0.343 -10.030 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.131 0.261 -7.861 1.00 0.00 O ATOM 0 H ASP A 39 6.032 2.308 -9.547 1.00 0.00 H new ATOM 0 HA ASP A 39 6.572 0.530 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.972 -0.936 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.420 -1.586 -9.655 1.00 0.00 H new ATOM 879 N GLY A 40 3.832 0.018 -9.844 1.00 0.00 N ATOM 880 CA GLY A 40 2.550 -0.643 -9.968 1.00 0.00 C ATOM 881 C GLY A 40 1.997 -1.025 -8.617 1.00 0.00 C ATOM 882 O GLY A 40 0.818 -1.280 -8.474 1.00 0.00 O ATOM 0 H GLY A 40 3.772 1.020 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.847 0.015 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.657 -1.535 -10.585 1.00 0.00 H new ATOM 886 N LYS A 41 2.845 -0.993 -7.627 1.00 0.00 N ATOM 887 CA LYS A 41 2.503 -1.375 -6.300 1.00 0.00 C ATOM 888 C LYS A 41 1.907 -0.167 -5.596 1.00 0.00 C ATOM 889 O LYS A 41 2.372 0.973 -5.793 1.00 0.00 O ATOM 890 CB LYS A 41 3.778 -1.804 -5.604 1.00 0.00 C ATOM 891 CG LYS A 41 3.638 -2.342 -4.198 1.00 0.00 C ATOM 892 CD LYS A 41 5.003 -2.369 -3.525 1.00 0.00 C ATOM 893 CE LYS A 41 6.020 -3.253 -4.255 1.00 0.00 C ATOM 894 NZ LYS A 41 5.671 -4.681 -4.232 1.00 0.00 N ATOM 0 H LYS A 41 3.814 -0.692 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 41 1.781 -2.191 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.258 -2.569 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.454 -0.949 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.951 -1.719 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.213 -3.345 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.392 -1.352 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.889 -2.727 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.101 -2.922 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.001 -3.118 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.397 -5.224 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.620 -5.010 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.748 -4.820 -4.691 1.00 0.00 H new ATOM 908 N LEU A 42 0.886 -0.392 -4.817 1.00 0.00 N ATOM 909 CA LEU A 42 0.255 0.676 -4.099 1.00 0.00 C ATOM 910 C LEU A 42 0.700 0.684 -2.676 1.00 0.00 C ATOM 911 O LEU A 42 0.857 -0.368 -2.044 1.00 0.00 O ATOM 912 CB LEU A 42 -1.275 0.618 -4.151 1.00 0.00 C ATOM 913 CG LEU A 42 -1.954 0.924 -5.483 1.00 0.00 C ATOM 914 CD1 LEU A 42 -1.770 -0.195 -6.483 1.00 0.00 C ATOM 915 CD2 LEU A 42 -3.414 1.231 -5.265 1.00 0.00 C ATOM 0 H LEU A 42 0.472 -1.312 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 42 0.563 1.596 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.583 -0.380 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.662 1.317 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.474 1.805 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.269 0.065 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.707 -0.345 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.201 -1.113 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.887 1.448 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.902 0.371 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.510 2.096 -4.609 1.00 0.00 H new ATOM 927 N ILE A 43 0.908 1.844 -2.177 1.00 0.00 N ATOM 928 CA ILE A 43 1.309 2.029 -0.815 1.00 0.00 C ATOM 929 C ILE A 43 0.223 2.830 -0.145 1.00 0.00 C ATOM 930 O ILE A 43 -0.311 3.778 -0.740 1.00 0.00 O ATOM 931 CB ILE A 43 2.639 2.820 -0.705 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.721 2.260 -1.641 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.141 2.835 0.730 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.153 0.831 -1.358 1.00 0.00 C ATOM 0 H ILE A 43 0.806 2.712 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 43 1.462 1.055 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 43 2.429 3.843 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.354 2.314 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.598 2.905 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.075 3.395 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.397 3.308 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.312 1.812 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.919 0.534 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.557 0.766 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.294 0.166 -1.449 1.00 0.00 H new ATOM 946 N ILE A 44 -0.123 2.450 1.041 1.00 0.00 N ATOM 947 CA ILE A 44 -1.153 3.127 1.780 1.00 0.00 C ATOM 948 C ILE A 44 -0.558 3.807 2.994 1.00 0.00 C ATOM 949 O ILE A 44 -0.128 3.159 3.965 1.00 0.00 O ATOM 950 CB ILE A 44 -2.331 2.182 2.176 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.045 1.639 0.921 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.332 2.875 3.112 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.708 2.698 0.048 1.00 0.00 C ATOM 0 H ILE A 44 0.298 1.661 1.531 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.583 3.885 1.125 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.902 1.342 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.320 1.093 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.803 0.922 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.135 2.182 3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.822 3.185 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.750 3.750 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.183 2.219 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.461 3.230 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.955 3.404 -0.303 1.00 0.00 H new ATOM 965 N GLU A 45 -0.499 5.097 2.897 1.00 0.00 N ATOM 966 CA GLU A 45 -0.004 5.962 3.923 1.00 0.00 C ATOM 967 C GLU A 45 -1.073 7.044 4.031 1.00 0.00 C ATOM 968 O GLU A 45 -1.576 7.504 2.990 1.00 0.00 O ATOM 969 CB GLU A 45 1.339 6.559 3.432 1.00 0.00 C ATOM 970 CG GLU A 45 2.148 7.369 4.438 1.00 0.00 C ATOM 971 CD GLU A 45 2.618 6.546 5.619 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.465 5.659 5.433 1.00 0.00 O ATOM 973 OE2 GLU A 45 2.159 6.774 6.748 1.00 0.00 O ATOM 0 H GLU A 45 -0.808 5.599 2.065 1.00 0.00 H new ATOM 0 HA GLU A 45 0.175 5.474 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.964 5.739 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.132 7.197 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.014 7.801 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.541 8.199 4.799 1.00 0.00 H new ATOM 980 N PRO A 46 -1.483 7.461 5.220 1.00 0.00 N ATOM 981 CA PRO A 46 -2.521 8.403 5.338 1.00 0.00 C ATOM 982 C PRO A 46 -1.960 9.799 5.228 1.00 0.00 C ATOM 983 O PRO A 46 -0.734 9.996 5.255 1.00 0.00 O ATOM 984 CB PRO A 46 -3.101 8.159 6.733 1.00 0.00 C ATOM 985 CG PRO A 46 -2.154 7.231 7.403 1.00 0.00 C ATOM 986 CD PRO A 46 -0.939 7.133 6.518 1.00 0.00 C ATOM 0 HA PRO A 46 -3.276 8.303 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.193 9.093 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.099 7.724 6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.883 7.603 8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.609 6.251 7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.157 7.830 6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.501 6.135 6.536 1.00 0.00 H new ATOM 994 N VAL A 47 -2.791 10.759 5.119 1.00 0.00 N ATOM 995 CA VAL A 47 -2.269 12.089 5.078 1.00 0.00 C ATOM 996 C VAL A 47 -2.327 12.609 6.466 1.00 0.00 C ATOM 997 O VAL A 47 -3.361 13.096 6.940 1.00 0.00 O ATOM 998 CB VAL A 47 -2.991 13.069 4.127 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.286 14.393 4.110 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.056 12.551 2.723 1.00 0.00 C ATOM 0 H VAL A 47 -3.805 10.670 5.057 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.259 12.026 4.674 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.007 13.180 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.806 15.073 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.278 14.814 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.261 14.255 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.572 13.274 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.045 12.396 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.598 11.605 2.709 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.155 9.856 -5.744 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.595 9.914 -5.833 1.00 0.00 C ATOM 1353 C ILE B 2 -4.143 10.194 -4.441 1.00 0.00 C ATOM 1354 O ILE B 2 -3.779 9.512 -3.471 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.200 8.578 -6.380 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.684 8.293 -7.798 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.735 8.608 -6.361 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.146 6.969 -8.381 1.00 0.00 C ATOM 0 HA ILE B 2 -3.874 10.704 -6.531 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.875 7.772 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.007 9.099 -8.457 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.594 8.309 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.122 7.665 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.083 8.752 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.091 9.429 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.735 6.850 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.800 6.152 -7.748 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.235 6.954 -8.431 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.980 11.183 -4.325 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.531 11.511 -3.042 1.00 0.00 C ATOM 1372 C HIS B 3 -6.971 11.051 -2.985 1.00 0.00 C ATOM 1373 O HIS B 3 -7.754 11.292 -3.902 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.365 13.022 -2.649 1.00 0.00 C ATOM 1375 CG HIS B 3 -6.152 14.031 -3.459 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -7.329 14.605 -3.023 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -5.909 14.572 -4.684 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -7.761 15.436 -3.969 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -6.936 15.458 -5.005 1.00 0.00 N ATOM 0 H HIS B 3 -5.294 11.773 -5.096 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.956 10.976 -2.287 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.647 13.133 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -4.308 13.278 -2.723 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -7.788 14.424 -2.130 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -5.056 14.350 -5.308 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -8.668 16.018 -3.901 1.00 0.00 H new ATOM 1387 N SER B 4 -7.281 10.331 -1.970 1.00 0.00 N ATOM 1388 CA SER B 4 -8.605 9.806 -1.752 1.00 0.00 C ATOM 1389 C SER B 4 -8.897 9.859 -0.284 1.00 0.00 C ATOM 1390 O SER B 4 -8.162 10.476 0.443 1.00 0.00 O ATOM 1391 CB SER B 4 -8.681 8.374 -2.248 1.00 0.00 C ATOM 1392 OG SER B 4 -8.512 8.307 -3.660 1.00 0.00 O ATOM 0 H SER B 4 -6.614 10.076 -1.242 1.00 0.00 H new ATOM 0 HA SER B 4 -9.339 10.398 -2.299 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.912 7.776 -1.759 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.644 7.942 -1.974 1.00 0.00 H new ATOM 0 HG SER B 4 -8.564 7.373 -3.952 1.00 0.00 H new ATOM 1398 N SER B 5 -9.917 9.199 0.150 1.00 0.00 N ATOM 1399 CA SER B 5 -10.291 9.230 1.524 1.00 0.00 C ATOM 1400 C SER B 5 -10.902 7.909 1.927 1.00 0.00 C ATOM 1401 O SER B 5 -11.435 7.175 1.077 1.00 0.00 O ATOM 1402 CB SER B 5 -11.258 10.397 1.772 1.00 0.00 C ATOM 1403 OG SER B 5 -12.322 10.380 0.831 1.00 0.00 O ATOM 0 H SER B 5 -10.517 8.621 -0.439 1.00 0.00 H new ATOM 0 HA SER B 5 -9.405 9.387 2.140 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.660 10.333 2.783 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.720 11.342 1.702 1.00 0.00 H new ATOM 0 HG SER B 5 -12.599 11.299 0.634 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.764 7.576 3.179 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.372 6.389 3.726 1.00 0.00 C ATOM 1411 C VAL B 6 -12.813 6.704 4.013 1.00 0.00 C ATOM 1412 O VAL B 6 -13.107 7.571 4.828 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.680 5.955 5.037 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.298 4.684 5.591 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.214 5.759 4.797 1.00 0.00 C ATOM 0 H VAL B 6 -10.226 8.119 3.854 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.275 5.573 3.010 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.821 6.744 5.776 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.789 4.404 6.514 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.355 4.853 5.796 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.194 3.881 4.861 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.731 5.453 5.725 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.069 4.987 4.041 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.774 6.694 4.450 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.700 6.053 3.344 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.084 6.321 3.532 1.00 0.00 C ATOM 1427 C LYS B 7 -15.708 5.162 4.301 1.00 0.00 C ATOM 1428 O LYS B 7 -15.044 4.148 4.540 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.749 6.539 2.183 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.273 7.756 1.402 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.717 9.040 2.067 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.458 10.241 1.173 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.058 11.475 1.715 1.00 0.00 N ATOM 0 H LYS B 7 -13.491 5.327 2.658 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.227 7.231 4.115 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.587 5.651 1.571 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.824 6.628 2.339 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.186 7.740 1.325 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.665 7.715 0.386 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.780 8.982 2.303 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.187 9.165 3.011 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.383 10.381 1.057 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.863 10.047 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.192 12.162 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.978 11.253 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.427 11.880 2.435 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.943 5.289 4.697 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.563 4.251 5.485 1.00 0.00 C ATOM 1449 C ARG B 8 -18.518 3.445 4.627 1.00 0.00 C ATOM 1450 O ARG B 8 -19.467 3.991 4.064 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.326 4.829 6.678 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.669 3.773 7.725 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.564 4.315 8.829 1.00 0.00 C ATOM 1454 NE ARG B 8 -19.055 5.562 9.409 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.594 5.717 10.662 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.468 4.663 11.481 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -18.243 6.929 11.085 1.00 0.00 N ATOM 0 H ARG B 8 -17.539 6.091 4.492 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.768 3.608 5.863 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.728 5.613 7.141 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.245 5.296 6.324 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.165 2.933 7.239 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.748 3.389 8.164 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.564 4.486 8.430 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.659 3.566 9.615 1.00 0.00 H new ATOM 0 HE ARG B 8 -19.050 6.386 8.807 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -18.723 3.731 11.155 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.117 4.793 12.430 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.325 7.731 10.460 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.892 7.056 12.034 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.266 2.176 4.527 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.106 1.251 3.786 1.00 0.00 C ATOM 1473 C TRP B 9 -19.813 0.375 4.802 1.00 0.00 C ATOM 1474 O TRP B 9 -19.237 -0.598 5.313 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.229 0.405 2.849 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.938 -0.530 1.901 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.265 -0.563 1.611 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.337 -1.570 1.090 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.515 -1.509 0.675 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.381 -2.150 0.355 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.027 -2.073 0.898 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.187 -3.176 -0.528 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.851 -3.094 0.018 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -17.936 -3.637 -0.684 1.00 0.00 C ATOM 0 H TRP B 9 -17.457 1.733 4.963 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.838 1.778 3.174 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.614 1.083 2.258 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.551 -0.187 3.464 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.012 0.073 2.062 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.431 -1.705 0.272 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.189 -1.656 1.437 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.012 -3.601 -1.081 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.860 -3.493 -0.143 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.760 -4.451 -1.371 1.00 0.00 H new ATOM 1495 N GLY B 10 -21.014 0.757 5.158 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.730 0.046 6.160 1.00 0.00 C ATOM 1497 C GLY B 10 -21.126 0.348 7.501 1.00 0.00 C ATOM 1498 O GLY B 10 -20.999 1.513 7.875 1.00 0.00 O ATOM 0 H GLY B 10 -21.507 1.558 4.763 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.781 0.334 6.147 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.691 -1.025 5.962 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.727 -0.661 8.212 1.00 0.00 N ATOM 1503 CA ASN B 11 -20.049 -0.456 9.491 1.00 0.00 C ATOM 1504 C ASN B 11 -18.539 -0.638 9.362 1.00 0.00 C ATOM 1505 O ASN B 11 -17.854 -0.847 10.362 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.582 -1.422 10.560 1.00 0.00 C ATOM 1507 CG ASN B 11 -22.010 -1.146 10.992 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -22.475 -0.002 11.007 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -22.720 -2.184 11.335 1.00 0.00 N ATOM 0 H ASN B 11 -20.850 -1.638 7.945 1.00 0.00 H new ATOM 0 HA ASN B 11 -20.255 0.570 9.795 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.521 -2.440 10.176 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.934 -1.372 11.435 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -23.690 -2.065 11.627 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -22.306 -3.116 11.311 1.00 0.00 H new ATOM 1516 N SER B 12 -17.992 -0.514 8.163 1.00 0.00 N ATOM 1517 CA SER B 12 -16.610 -0.760 7.984 1.00 0.00 C ATOM 1518 C SER B 12 -15.997 0.266 7.039 1.00 0.00 C ATOM 1519 O SER B 12 -16.624 0.683 6.074 1.00 0.00 O ATOM 1520 CB SER B 12 -16.397 -2.187 7.479 1.00 0.00 C ATOM 1521 OG SER B 12 -16.899 -3.129 8.418 1.00 0.00 O ATOM 0 H SER B 12 -18.497 -0.246 7.319 1.00 0.00 H new ATOM 0 HA SER B 12 -16.103 -0.660 8.944 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.899 -2.318 6.520 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.335 -2.364 7.310 1.00 0.00 H new ATOM 0 HG SER B 12 -16.756 -4.037 8.079 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.810 0.743 7.366 1.00 0.00 N ATOM 1528 CA PRO B 13 -14.063 1.678 6.524 1.00 0.00 C ATOM 1529 C PRO B 13 -13.620 1.023 5.210 1.00 0.00 C ATOM 1530 O PRO B 13 -13.094 -0.102 5.206 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.848 2.042 7.377 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.730 0.954 8.383 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.109 0.428 8.607 1.00 0.00 C ATOM 0 HA PRO B 13 -14.661 2.542 6.235 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.947 2.112 6.767 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.983 3.010 7.860 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.068 0.165 8.025 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.303 1.331 9.313 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -14.101 -0.645 8.800 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.583 0.903 9.466 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.840 1.708 4.117 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.514 1.199 2.822 1.00 0.00 C ATOM 1543 C ALA B 14 -12.779 2.246 2.007 1.00 0.00 C ATOM 1544 O ALA B 14 -13.097 3.445 2.075 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.772 0.758 2.106 1.00 0.00 C ATOM 0 H ALA B 14 -14.253 2.640 4.107 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.858 0.337 2.941 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.513 0.372 1.120 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.265 -0.024 2.684 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.446 1.608 1.997 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.788 1.808 1.276 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.019 2.674 0.418 1.00 0.00 C ATOM 1553 C VAL B 15 -11.335 2.346 -1.031 1.00 0.00 C ATOM 1554 O VAL B 15 -11.336 1.172 -1.418 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.482 2.532 0.666 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.683 3.429 -0.280 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.145 2.877 2.103 1.00 0.00 C ATOM 0 H VAL B 15 -11.489 0.833 1.258 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.293 3.704 0.645 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.209 1.495 0.470 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.618 3.308 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.895 3.150 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.966 4.470 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.071 2.773 2.260 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.445 3.904 2.310 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.677 2.202 2.774 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.646 3.366 -1.806 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.938 3.209 -3.215 1.00 0.00 C ATOM 1569 C ARG B 16 -10.668 2.996 -4.026 1.00 0.00 C ATOM 1570 O ARG B 16 -9.723 3.792 -3.933 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.633 4.441 -3.765 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.064 4.656 -3.350 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.601 5.823 -4.141 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.045 6.035 -4.010 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.793 6.683 -4.924 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.261 7.060 -6.087 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.072 6.915 -4.693 1.00 0.00 N ATOM 0 H ARG B 16 -11.703 4.329 -1.475 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.585 2.336 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.058 5.317 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.599 4.393 -4.853 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.656 3.761 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.126 4.858 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.084 6.729 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.363 5.672 -5.194 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.511 5.671 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.282 6.858 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -16.833 7.550 -6.774 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.497 6.603 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.635 7.406 -5.388 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.655 1.957 -4.818 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.550 1.680 -5.712 1.00 0.00 C ATOM 1593 C ILE B 17 -9.898 2.272 -7.083 1.00 0.00 C ATOM 1594 O ILE B 17 -10.992 2.030 -7.594 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.298 0.138 -5.874 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.980 -0.531 -4.522 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.185 -0.151 -6.885 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -7.766 0.016 -3.789 1.00 0.00 C ATOM 0 H ILE B 17 -11.411 1.273 -4.865 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.644 2.122 -5.297 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.224 -0.292 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -9.850 -0.430 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -8.830 -1.597 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -8.041 -1.228 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.463 0.255 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.258 0.314 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -7.633 -0.524 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.879 -0.110 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -7.914 1.075 -3.579 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.009 3.090 -7.677 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.243 3.652 -9.000 1.00 0.00 C ATOM 1612 C PRO B 18 -9.336 2.555 -10.065 1.00 0.00 C ATOM 1613 O PRO B 18 -8.435 1.694 -10.174 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.015 4.547 -9.259 1.00 0.00 C ATOM 1615 CG PRO B 18 -6.988 4.104 -8.269 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.735 3.540 -7.095 1.00 0.00 C ATOM 0 HA PRO B 18 -10.184 4.199 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.652 4.431 -10.280 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.261 5.600 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.329 3.353 -8.705 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.360 4.940 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.192 2.715 -6.633 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.891 4.292 -6.321 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.410 2.592 -10.848 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.679 1.619 -11.921 1.00 0.00 C ATOM 1626 C ALA B 19 -9.502 1.505 -12.893 1.00 0.00 C ATOM 1627 O ALA B 19 -9.246 0.442 -13.457 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.945 2.002 -12.670 1.00 0.00 C ATOM 0 H ALA B 19 -11.133 3.306 -10.760 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.817 0.643 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.134 1.276 -13.461 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.788 2.013 -11.979 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.823 2.992 -13.109 1.00 0.00 H new ATOM 1634 N THR B 20 -8.785 2.595 -13.050 1.00 0.00 N ATOM 1635 CA THR B 20 -7.618 2.671 -13.889 1.00 0.00 C ATOM 1636 C THR B 20 -6.552 1.639 -13.438 1.00 0.00 C ATOM 1637 O THR B 20 -5.931 0.964 -14.256 1.00 0.00 O ATOM 1638 CB THR B 20 -7.046 4.075 -13.739 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.145 5.008 -13.727 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.111 4.405 -14.888 1.00 0.00 C ATOM 0 H THR B 20 -9.006 3.475 -12.584 1.00 0.00 H new ATOM 0 HA THR B 20 -7.886 2.455 -14.923 1.00 0.00 H new ATOM 0 HB THR B 20 -6.475 4.137 -12.812 1.00 0.00 H new ATOM 0 HG1 THR B 20 -7.799 5.920 -13.629 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.716 5.412 -14.758 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.287 3.691 -14.903 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.657 4.349 -15.829 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.411 1.489 -12.127 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.415 0.604 -11.532 1.00 0.00 C ATOM 1650 C LEU B 21 -5.874 -0.796 -11.550 1.00 0.00 C ATOM 1651 O LEU B 21 -5.081 -1.708 -11.681 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.083 1.029 -10.117 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.018 2.099 -9.964 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.645 1.520 -10.277 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.285 3.292 -10.866 1.00 0.00 C ATOM 0 H LEU B 21 -6.987 1.980 -11.443 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.509 0.678 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -5.998 1.388 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.763 0.147 -9.562 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.046 2.444 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -1.888 2.296 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.430 0.701 -9.590 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.632 1.147 -11.301 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.501 4.036 -10.727 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.296 2.966 -11.906 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.250 3.731 -10.613 1.00 0.00 H new ATOM 1667 N MET B 22 -7.156 -0.956 -11.409 1.00 0.00 N ATOM 1668 CA MET B 22 -7.811 -2.267 -11.549 1.00 0.00 C ATOM 1669 C MET B 22 -7.373 -2.907 -12.844 1.00 0.00 C ATOM 1670 O MET B 22 -6.861 -4.031 -12.870 1.00 0.00 O ATOM 1671 CB MET B 22 -9.328 -2.119 -11.557 1.00 0.00 C ATOM 1672 CG MET B 22 -9.942 -1.636 -10.265 1.00 0.00 C ATOM 1673 SD MET B 22 -9.909 -2.872 -8.966 1.00 0.00 S ATOM 1674 CE MET B 22 -10.949 -4.135 -9.711 1.00 0.00 C ATOM 0 H MET B 22 -7.798 -0.193 -11.193 1.00 0.00 H new ATOM 0 HA MET B 22 -7.524 -2.889 -10.701 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.603 -1.425 -12.351 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.768 -3.084 -11.810 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.409 -0.747 -9.926 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.974 -1.338 -10.449 1.00 0.00 H new ATOM 0 HE1 MET B 22 -11.398 -4.746 -8.927 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.736 -3.660 -10.296 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.345 -4.767 -10.362 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.529 -2.151 -13.890 1.00 0.00 N ATOM 1685 CA GLN B 23 -7.134 -2.544 -15.220 1.00 0.00 C ATOM 1686 C GLN B 23 -5.632 -2.642 -15.346 1.00 0.00 C ATOM 1687 O GLN B 23 -5.121 -3.511 -16.042 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.640 -1.529 -16.222 1.00 0.00 C ATOM 1689 CG GLN B 23 -9.136 -1.430 -16.279 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.631 -0.383 -17.266 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.973 -0.078 -18.270 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.792 0.164 -16.999 1.00 0.00 N ATOM 0 H GLN B 23 -7.944 -1.220 -13.846 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.565 -3.525 -15.418 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -7.229 -0.550 -15.973 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.264 -1.790 -17.211 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.548 -2.401 -16.553 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.516 -1.192 -15.286 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -11.306 -0.112 -16.162 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -11.182 0.866 -17.628 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.933 -1.786 -14.633 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.468 -1.697 -14.773 1.00 0.00 C ATOM 1703 C ALA B 24 -2.782 -2.888 -14.144 1.00 0.00 C ATOM 1704 O ALA B 24 -1.774 -3.390 -14.651 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.935 -0.405 -14.172 1.00 0.00 C ATOM 0 H ALA B 24 -5.336 -1.141 -13.953 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.245 -1.698 -15.840 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.852 -0.368 -14.290 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.385 0.447 -14.682 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.186 -0.366 -13.112 1.00 0.00 H new ATOM 1711 N LEU B 25 -3.352 -3.341 -13.061 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.838 -4.450 -12.299 1.00 0.00 C ATOM 1713 C LEU B 25 -3.487 -5.742 -12.737 1.00 0.00 C ATOM 1714 O LEU B 25 -3.124 -6.826 -12.270 1.00 0.00 O ATOM 1715 CB LEU B 25 -3.108 -4.189 -10.843 1.00 0.00 C ATOM 1716 CG LEU B 25 -2.408 -2.959 -10.280 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.913 -2.660 -8.906 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.908 -3.165 -10.255 1.00 0.00 C ATOM 0 H LEU B 25 -4.207 -2.941 -12.674 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.765 -4.548 -12.465 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -4.183 -4.077 -10.701 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.800 -5.062 -10.267 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.628 -2.110 -10.927 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -2.404 -1.779 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.986 -2.472 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.717 -3.511 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.425 -2.276 -9.850 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.669 -4.025 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.548 -3.343 -11.268 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.477 -5.601 -13.628 1.00 0.00 N ATOM 1731 CA ASN B 26 -5.212 -6.719 -14.235 1.00 0.00 C ATOM 1732 C ASN B 26 -5.968 -7.527 -13.196 1.00 0.00 C ATOM 1733 O ASN B 26 -6.271 -8.712 -13.406 1.00 0.00 O ATOM 1734 CB ASN B 26 -4.265 -7.629 -15.044 1.00 0.00 C ATOM 1735 CG ASN B 26 -3.676 -6.946 -16.262 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -4.281 -6.951 -17.341 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -2.485 -6.401 -16.133 1.00 0.00 N ATOM 0 H ASN B 26 -4.796 -4.689 -13.954 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.945 -6.289 -14.917 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.455 -7.966 -14.397 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.810 -8.518 -15.362 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -2.034 -5.966 -16.937 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -2.013 -6.414 -15.229 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.347 -6.875 -12.120 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.979 -7.545 -11.042 1.00 0.00 C ATOM 1746 C LEU B 27 -8.504 -7.393 -11.149 1.00 0.00 C ATOM 1747 O LEU B 27 -8.998 -6.733 -12.083 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.386 -7.056 -9.697 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.661 -5.620 -9.214 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.934 -5.564 -8.401 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.504 -5.115 -8.383 1.00 0.00 C ATOM 0 H LEU B 27 -6.220 -5.872 -11.982 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.781 -8.616 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.741 -7.733 -8.920 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.304 -7.177 -9.756 1.00 0.00 H new ATOM 0 HG LEU B 27 -6.777 -4.984 -10.091 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -8.109 -4.540 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.772 -5.896 -9.014 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.840 -6.215 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.713 -4.099 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.369 -5.762 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.595 -5.120 -8.984 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.242 -8.003 -10.243 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.722 -7.958 -10.302 1.00 0.00 C ATOM 1765 C ASN B 28 -11.368 -7.865 -8.931 1.00 0.00 C ATOM 1766 O ASN B 28 -10.707 -7.672 -7.930 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.340 -9.172 -11.062 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.176 -10.574 -10.412 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.083 -10.855 -9.741 1.00 0.00 O flip ATOM 1770 ND2 ASN B 28 -12.060 -11.420 -10.555 1.00 0.00 N flip ATOM 0 H ASN B 28 -8.864 -8.534 -9.459 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.938 -7.046 -10.858 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -12.405 -8.982 -11.192 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -10.899 -9.207 -12.058 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -12.905 -11.191 -11.078 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -11.947 -12.349 -10.150 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.681 -7.956 -8.923 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.460 -7.991 -7.715 1.00 0.00 C ATOM 1779 C ILE B 29 -13.385 -9.421 -7.159 1.00 0.00 C ATOM 1780 O ILE B 29 -13.432 -10.379 -7.927 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.927 -7.601 -8.025 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.032 -6.137 -8.520 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.853 -7.828 -6.823 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.542 -5.098 -7.531 1.00 0.00 C ATOM 0 H ILE B 29 -13.242 -8.008 -9.773 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.075 -7.283 -6.981 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.260 -8.260 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.461 -6.038 -9.443 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.073 -5.924 -8.764 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.870 -7.541 -7.088 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.835 -8.881 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.513 -7.224 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.654 -4.103 -7.963 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.128 -5.163 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.491 -5.279 -7.304 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.260 -9.533 -5.837 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.040 -10.802 -5.097 1.00 0.00 C ATOM 1798 C ASP B 30 -11.639 -11.257 -5.217 1.00 0.00 C ATOM 1799 O ASP B 30 -11.307 -12.396 -4.873 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.002 -11.948 -5.427 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.261 -11.895 -4.631 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.224 -12.188 -3.426 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -16.324 -11.585 -5.190 1.00 0.00 O ATOM 0 H ASP B 30 -13.309 -8.723 -5.219 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.264 -10.540 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -14.247 -11.915 -6.489 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -13.502 -12.899 -5.244 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.804 -10.357 -5.659 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.404 -10.615 -5.784 1.00 0.00 C ATOM 1810 C ASP B 31 -8.871 -10.545 -4.407 1.00 0.00 C ATOM 1811 O ASP B 31 -9.002 -9.503 -3.745 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.771 -9.528 -6.604 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.554 -9.951 -7.380 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -6.531 -10.328 -6.779 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.613 -9.880 -8.644 1.00 0.00 O ATOM 0 H ASP B 31 -11.083 -9.418 -5.944 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.205 -11.575 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.513 -9.140 -7.302 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.495 -8.707 -5.942 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.371 -11.627 -3.935 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.869 -11.688 -2.619 1.00 0.00 C ATOM 1822 C GLU B 32 -6.532 -10.996 -2.595 1.00 0.00 C ATOM 1823 O GLU B 32 -5.708 -11.206 -3.479 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.820 -13.135 -2.121 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.256 -13.272 -0.730 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.503 -14.620 -0.122 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -6.899 -15.612 -0.575 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -8.325 -14.719 0.815 1.00 0.00 O ATOM 0 H GLU B 32 -8.299 -12.500 -4.457 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.530 -11.170 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.827 -13.552 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.217 -13.728 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.182 -13.086 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.695 -12.506 -0.090 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.331 -10.122 -1.638 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.128 -9.351 -1.638 1.00 0.00 C ATOM 1837 C VAL B 33 -4.371 -9.461 -0.327 1.00 0.00 C ATOM 1838 O VAL B 33 -4.958 -9.758 0.733 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.341 -7.836 -2.032 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.307 -7.687 -3.180 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.820 -6.998 -0.876 1.00 0.00 C ATOM 0 H VAL B 33 -6.974 -9.935 -0.868 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.517 -9.795 -2.424 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.359 -7.474 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.426 -6.631 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.921 -8.216 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.273 -8.107 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.949 -5.966 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.772 -7.386 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.085 -7.034 -0.072 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.081 -9.237 -0.425 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.186 -9.233 0.691 1.00 0.00 C ATOM 1853 C LYS B 34 -2.070 -7.848 1.285 1.00 0.00 C ATOM 1854 O LYS B 34 -1.508 -6.942 0.661 1.00 0.00 O ATOM 1855 CB LYS B 34 -0.791 -9.676 0.243 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.543 -11.175 0.216 1.00 0.00 C ATOM 1857 CD LYS B 34 0.832 -11.501 -0.389 1.00 0.00 C ATOM 1858 CE LYS B 34 1.986 -10.773 0.329 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.127 -11.168 1.754 1.00 0.00 N ATOM 0 H LYS B 34 -2.619 -9.048 -1.314 1.00 0.00 H new ATOM 0 HA LYS B 34 -2.584 -9.919 1.438 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.610 -9.280 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.056 -9.218 0.906 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -0.601 -11.574 1.229 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.324 -11.665 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS B 34 1.000 -12.577 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.835 -11.226 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS B 34 2.920 -10.981 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.821 -9.697 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.193 -10.315 2.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.299 -11.727 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.988 -11.739 1.872 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.620 -7.664 2.446 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.387 -6.455 3.166 1.00 0.00 C ATOM 1875 C ILE B 35 -1.186 -6.730 4.035 1.00 0.00 C ATOM 1876 O ILE B 35 -1.273 -7.452 5.039 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.598 -5.965 4.043 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -4.821 -5.549 3.199 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.190 -4.817 4.958 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.613 -6.695 2.610 1.00 0.00 C ATOM 0 H ILE B 35 -3.231 -8.335 2.912 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.233 -5.643 2.455 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.893 -6.821 4.649 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.486 -4.950 3.821 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.481 -4.907 2.386 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.049 -4.501 5.551 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.392 -5.148 5.623 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.837 -3.980 4.356 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.451 -6.301 2.035 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -4.970 -7.284 1.956 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -5.990 -7.328 3.414 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.058 -6.271 3.593 1.00 0.00 N ATOM 1893 CA ASP B 36 1.176 -6.509 4.305 1.00 0.00 C ATOM 1894 C ASP B 36 1.441 -5.274 5.121 1.00 0.00 C ATOM 1895 O ASP B 36 1.481 -4.160 4.574 1.00 0.00 O ATOM 1896 CB ASP B 36 2.312 -6.739 3.296 1.00 0.00 C ATOM 1897 CG ASP B 36 3.210 -7.918 3.612 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.752 -9.078 3.500 1.00 0.00 O ATOM 1899 OD2 ASP B 36 4.411 -7.715 3.873 1.00 0.00 O ATOM 0 H ASP B 36 0.043 -5.725 2.738 1.00 0.00 H new ATOM 0 HA ASP B 36 1.112 -7.390 4.944 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.877 -6.885 2.307 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.923 -5.838 3.245 1.00 0.00 H new ATOM 1904 N LEU B 37 1.563 -5.439 6.401 1.00 0.00 N ATOM 1905 CA LEU B 37 1.748 -4.383 7.277 1.00 0.00 C ATOM 1906 C LEU B 37 3.208 -4.327 7.632 1.00 0.00 C ATOM 1907 O LEU B 37 3.799 -5.311 8.072 1.00 0.00 O ATOM 1908 CB LEU B 37 0.863 -4.633 8.495 1.00 0.00 C ATOM 1909 CG LEU B 37 0.700 -3.529 9.532 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.907 -3.423 10.420 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.405 -2.223 8.854 1.00 0.00 C ATOM 0 H LEU B 37 1.532 -6.352 6.855 1.00 0.00 H new ATOM 0 HA LEU B 37 1.470 -3.422 6.843 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.131 -4.891 8.131 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.252 -5.512 9.009 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.144 -3.785 10.172 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.755 -2.625 11.147 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.058 -4.367 10.943 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.786 -3.199 9.815 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.290 -1.441 9.605 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.227 -1.966 8.185 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.517 -2.312 8.279 1.00 0.00 H new ATOM 1923 N VAL B 38 3.759 -3.187 7.449 1.00 0.00 N ATOM 1924 CA VAL B 38 5.179 -2.964 7.663 1.00 0.00 C ATOM 1925 C VAL B 38 5.387 -1.615 8.337 1.00 0.00 C ATOM 1926 O VAL B 38 5.174 -0.579 7.722 1.00 0.00 O ATOM 1927 CB VAL B 38 5.999 -2.989 6.322 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.485 -2.780 6.588 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.791 -4.289 5.548 1.00 0.00 C ATOM 0 H VAL B 38 3.250 -2.358 7.143 1.00 0.00 H new ATOM 0 HA VAL B 38 5.540 -3.776 8.294 1.00 0.00 H new ATOM 0 HB VAL B 38 5.626 -2.168 5.710 1.00 0.00 H new ATOM 0 HG11 VAL B 38 8.030 -2.802 5.644 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.636 -1.815 7.072 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.853 -3.574 7.238 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.376 -4.263 4.629 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.113 -5.132 6.159 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.735 -4.401 5.303 1.00 0.00 H new ATOM 1939 N ASP B 39 5.713 -1.641 9.626 1.00 0.00 N ATOM 1940 CA ASP B 39 6.046 -0.423 10.428 1.00 0.00 C ATOM 1941 C ASP B 39 4.852 0.491 10.583 1.00 0.00 C ATOM 1942 O ASP B 39 4.983 1.666 10.912 1.00 0.00 O ATOM 1943 CB ASP B 39 7.226 0.366 9.826 1.00 0.00 C ATOM 1944 CG ASP B 39 8.498 -0.423 9.795 1.00 0.00 C ATOM 1945 OD1 ASP B 39 8.953 -0.887 10.865 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.058 -0.622 8.704 1.00 0.00 O ATOM 0 H ASP B 39 5.760 -2.505 10.166 1.00 0.00 H new ATOM 0 HA ASP B 39 6.341 -0.784 11.413 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.971 0.675 8.812 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.382 1.275 10.406 1.00 0.00 H new ATOM 1951 N GLY B 40 3.695 -0.074 10.412 1.00 0.00 N ATOM 1952 CA GLY B 40 2.472 0.678 10.516 1.00 0.00 C ATOM 1953 C GLY B 40 2.001 1.165 9.159 1.00 0.00 C ATOM 1954 O GLY B 40 0.906 1.674 9.020 1.00 0.00 O ATOM 0 H GLY B 40 3.568 -1.063 10.198 1.00 0.00 H new ATOM 0 HA2 GLY B 40 1.699 0.057 10.969 1.00 0.00 H new ATOM 0 HA3 GLY B 40 2.623 1.531 11.177 1.00 0.00 H new ATOM 1958 N LYS B 41 2.825 0.994 8.163 1.00 0.00 N ATOM 1959 CA LYS B 41 2.505 1.395 6.833 1.00 0.00 C ATOM 1960 C LYS B 41 1.876 0.205 6.147 1.00 0.00 C ATOM 1961 O LYS B 41 2.301 -0.948 6.373 1.00 0.00 O ATOM 1962 CB LYS B 41 3.795 1.774 6.134 1.00 0.00 C ATOM 1963 CG LYS B 41 3.655 2.278 4.713 1.00 0.00 C ATOM 1964 CD LYS B 41 5.009 2.266 4.025 1.00 0.00 C ATOM 1965 CE LYS B 41 6.031 3.190 4.685 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.687 4.619 4.565 1.00 0.00 N ATOM 0 H LYS B 41 3.746 0.567 8.259 1.00 0.00 H new ATOM 0 HA LYS B 41 1.821 2.244 6.815 1.00 0.00 H new ATOM 0 HB2 LYS B 41 4.293 2.543 6.724 1.00 0.00 H new ATOM 0 HB3 LYS B 41 4.451 0.903 6.127 1.00 0.00 H new ATOM 0 HG2 LYS B 41 2.952 1.652 4.163 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.247 3.289 4.715 1.00 0.00 H new ATOM 0 HD2 LYS B 41 5.398 1.248 4.023 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.882 2.561 2.983 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.116 2.931 5.740 1.00 0.00 H new ATOM 0 HE3 LYS B 41 7.009 3.020 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.261 5.172 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.878 4.942 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 4.679 4.753 4.782 1.00 0.00 H new ATOM 1980 N LEU B 42 0.879 0.443 5.358 1.00 0.00 N ATOM 1981 CA LEU B 42 0.244 -0.621 4.653 1.00 0.00 C ATOM 1982 C LEU B 42 0.709 -0.660 3.238 1.00 0.00 C ATOM 1983 O LEU B 42 0.975 0.382 2.617 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.275 -0.547 4.693 1.00 0.00 C ATOM 1985 CG LEU B 42 -1.958 -0.868 6.009 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -1.866 0.273 7.005 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -3.381 -1.270 5.745 1.00 0.00 C ATOM 0 H LEU B 42 0.486 1.368 5.186 1.00 0.00 H new ATOM 0 HA LEU B 42 0.532 -1.539 5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.570 0.460 4.398 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.665 -1.228 3.937 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.434 -1.703 6.473 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -2.371 -0.009 7.929 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.818 0.489 7.215 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.343 1.160 6.587 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.875 -1.501 6.689 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.905 -0.451 5.253 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.397 -2.150 5.102 1.00 0.00 H new ATOM 1999 N ILE B 43 0.804 -1.833 2.728 1.00 0.00 N ATOM 2000 CA ILE B 43 1.235 -2.043 1.380 1.00 0.00 C ATOM 2001 C ILE B 43 0.155 -2.832 0.702 1.00 0.00 C ATOM 2002 O ILE B 43 -0.389 -3.777 1.290 1.00 0.00 O ATOM 2003 CB ILE B 43 2.548 -2.866 1.302 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.631 -2.326 2.249 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.067 -2.913 -0.129 1.00 0.00 C ATOM 2006 CD1 ILE B 43 4.122 -0.921 1.944 1.00 0.00 C ATOM 0 H ILE B 43 0.584 -2.690 3.235 1.00 0.00 H new ATOM 0 HA ILE B 43 1.421 -1.076 0.913 1.00 0.00 H new ATOM 0 HB ILE B 43 2.311 -3.879 1.627 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.241 -2.343 3.267 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.484 -3.004 2.223 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.988 -3.495 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.320 -3.379 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.265 -1.899 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.884 -0.636 2.670 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.549 -0.894 0.941 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.287 -0.223 2.002 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.172 -2.451 -0.486 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.189 -3.125 -1.237 1.00 0.00 C ATOM 2020 C ILE B 44 -0.575 -3.836 -2.428 1.00 0.00 C ATOM 2021 O ILE B 44 -0.106 -3.212 -3.395 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.341 -2.170 -1.678 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.095 -1.607 -0.455 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.317 -2.858 -2.641 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.742 -2.658 0.439 1.00 0.00 C ATOM 0 H ILE B 44 0.256 -1.662 -0.970 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.643 -3.867 -0.580 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.880 -1.339 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.399 -1.020 0.144 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.868 -0.924 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.104 -2.158 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.781 -3.181 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.761 -3.725 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.248 -2.167 1.271 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.467 -3.231 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.975 -3.329 0.826 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.540 -5.124 -2.312 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.047 -6.018 -3.318 1.00 0.00 C ATOM 2039 C GLU B 45 -1.139 -7.067 -3.444 1.00 0.00 C ATOM 2040 O GLU B 45 -1.643 -7.550 -2.416 1.00 0.00 O ATOM 2041 CB GLU B 45 1.256 -6.666 -2.794 1.00 0.00 C ATOM 2042 CG GLU B 45 1.983 -7.625 -3.737 1.00 0.00 C ATOM 2043 CD GLU B 45 2.592 -6.943 -4.940 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.558 -6.176 -4.764 1.00 0.00 O ATOM 2045 OE2 GLU B 45 2.162 -7.206 -6.083 1.00 0.00 O ATOM 0 H GLU B 45 -0.869 -5.607 -1.476 1.00 0.00 H new ATOM 0 HA GLU B 45 0.172 -5.535 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.947 -5.867 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.021 -7.206 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.769 -8.139 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.282 -8.387 -4.078 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.562 -7.440 -4.638 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.611 -8.358 -4.780 1.00 0.00 C ATOM 2054 C PRO B 46 -2.068 -9.761 -4.723 1.00 0.00 C ATOM 2055 O PRO B 46 -0.833 -9.980 -4.783 1.00 0.00 O ATOM 2056 CB PRO B 46 -3.198 -8.062 -6.162 1.00 0.00 C ATOM 2057 CG PRO B 46 -2.232 -7.148 -6.814 1.00 0.00 C ATOM 2058 CD PRO B 46 -1.021 -7.079 -5.918 1.00 0.00 C ATOM 0 HA PRO B 46 -3.359 -8.272 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -3.323 -8.978 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -4.182 -7.600 -6.080 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.960 -7.516 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.668 -6.158 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.240 -7.769 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.581 -6.082 -5.906 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.912 -10.704 -4.628 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.426 -12.039 -4.624 1.00 0.00 C ATOM 2068 C VAL B 47 -2.511 -12.538 -6.027 1.00 0.00 C ATOM 2069 O VAL B 47 -3.564 -12.970 -6.508 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.159 -13.012 -3.682 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.485 -14.349 -3.702 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.197 -12.510 -2.268 1.00 0.00 C ATOM 0 H VAL B 47 -3.923 -10.594 -4.553 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.407 -12.008 -4.238 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.184 -13.096 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.010 -15.031 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.502 -14.750 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.452 -14.241 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.724 -13.229 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.179 -12.384 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.716 -11.552 -2.236 1.00 0.00 H new