USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 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: A 35 CYS SG : rot -68:sc= -2.88! USER MOD Set 1.2: A 100 GLN : amide:sc= -0.239! C(o=-3.1!,f=-8.2!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -1.17 K(o=-5,f=-5.8!) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.617 K(o=-5,f=-5.8) USER MOD Set 2.3: A 45 MET CE :methyl -149:sc= -1.13 (180deg=-0.358) USER MOD Set 2.4: A 49 HIS : no HE2:sc= -2.08 K(o=-5,f=-7.2) USER MOD Set 3.1: A 20 MET CE :methyl 167:sc= -0.666 (180deg=-1.57) USER MOD Set 3.2: A 23 LYS NZ :NH3+ -169:sc= -0.0549 (180deg=-0.201) USER MOD Set 3.3: A 63 MET CE :methyl -174:sc= -0.448 (180deg=-0.426) USER MOD Single : A 18 TYR OH : rot 80:sc= 0.437 USER MOD Single : A 30 SER OG : rot 108:sc= 1.25 USER MOD Single : A 32 ASN : amide:sc= 0.0832 K(o=0.083,f=-0.84) USER MOD Single : A 36 GLN : amide:sc= 0.512 K(o=0.51,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -17:sc= 0.271 USER MOD Single : A 53 SER OG : rot 117:sc= -0.359 USER MOD Single : A 56 GLN : amide:sc=-0.00991 X(o=-0.0099,f=-0.0099) USER MOD Single : A 58 HIS : no HD1:sc=-0.00953 X(o=-0.0095,f=-0.0095) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00577) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0228) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.00248 X(o=-0.0025,f=0.0028) USER MOD Single : A 79 SER OG : rot -77:sc= 1.22 USER MOD Single : A 83 THR OG1 : rot 160:sc=-0.00333 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.847 8.706 16.804 1.00 0.00 N ATOM 285 CA TYR A 18 5.527 9.701 15.946 1.00 0.00 C ATOM 286 C TYR A 18 7.044 9.611 15.748 1.00 0.00 C ATOM 287 O TYR A 18 7.549 10.156 14.771 1.00 0.00 O ATOM 288 CB TYR A 18 5.224 11.135 16.522 1.00 0.00 C ATOM 289 CG TYR A 18 3.985 11.803 15.943 1.00 0.00 C ATOM 290 CD1 TYR A 18 4.068 12.358 14.673 1.00 0.00 C ATOM 291 CD2 TYR A 18 2.822 12.030 16.677 1.00 0.00 C ATOM 292 CE1 TYR A 18 3.073 13.186 14.188 1.00 0.00 C ATOM 293 CE2 TYR A 18 1.816 12.844 16.177 1.00 0.00 C ATOM 294 CZ TYR A 18 1.956 13.453 14.948 1.00 0.00 C ATOM 295 OH TYR A 18 0.982 14.360 14.470 1.00 0.00 O ATOM 0 HA TYR A 18 5.119 9.484 14.959 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.109 11.061 17.603 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.086 11.776 16.337 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.925 12.139 14.053 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.703 11.567 17.645 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.172 13.626 13.207 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.917 13.002 16.754 1.00 0.00 H new ATOM 0 HH TYR A 18 0.404 13.907 13.821 1.00 0.00 H new ATOM 305 N ASP A 19 7.798 8.887 16.616 1.00 0.00 N ATOM 306 CA ASP A 19 9.233 8.617 16.467 1.00 0.00 C ATOM 307 C ASP A 19 9.475 7.396 15.578 1.00 0.00 C ATOM 308 O ASP A 19 10.285 7.427 14.657 1.00 0.00 O ATOM 309 CB ASP A 19 9.931 8.392 17.838 1.00 0.00 C ATOM 310 CG ASP A 19 9.773 9.645 18.704 1.00 0.00 C ATOM 311 OD1 ASP A 19 10.307 10.714 18.301 1.00 0.00 O ATOM 312 OD2 ASP A 19 9.119 9.547 19.777 1.00 0.00 O ATOM 0 H ASP A 19 7.404 8.468 17.458 1.00 0.00 H new ATOM 0 HA ASP A 19 9.665 9.501 15.998 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.494 7.531 18.343 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.988 8.172 17.688 1.00 0.00 H new ATOM 317 N MET A 20 8.708 6.292 15.823 1.00 0.00 N ATOM 318 CA MET A 20 8.704 4.980 15.160 1.00 0.00 C ATOM 319 C MET A 20 8.378 4.998 13.677 1.00 0.00 C ATOM 320 O MET A 20 8.878 4.208 12.886 1.00 0.00 O ATOM 321 CB MET A 20 7.816 3.986 15.995 1.00 0.00 C ATOM 322 CG MET A 20 6.557 3.343 15.357 1.00 0.00 C ATOM 323 SD MET A 20 6.714 1.581 14.929 1.00 0.00 S ATOM 324 CE MET A 20 8.303 1.443 14.068 1.00 0.00 C ATOM 0 H MET A 20 8.012 6.317 16.568 1.00 0.00 H new ATOM 0 HA MET A 20 9.733 4.619 15.153 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.463 3.173 16.324 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.490 4.517 16.890 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.721 3.459 16.047 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.304 3.898 14.454 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.580 0.392 13.982 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.216 1.879 13.073 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.070 1.975 14.631 1.00 0.00 H new ATOM 334 N VAL A 21 7.554 5.986 13.254 1.00 0.00 N ATOM 335 CA VAL A 21 7.206 6.242 11.833 1.00 0.00 C ATOM 336 C VAL A 21 8.319 6.891 11.021 1.00 0.00 C ATOM 337 O VAL A 21 8.410 6.632 9.827 1.00 0.00 O ATOM 338 CB VAL A 21 5.772 6.680 11.505 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.819 5.581 12.018 1.00 0.00 C ATOM 340 CG2 VAL A 21 5.386 8.042 12.121 1.00 0.00 C ATOM 0 H VAL A 21 7.105 6.637 13.898 1.00 0.00 H new ATOM 0 HA VAL A 21 7.148 5.228 11.438 1.00 0.00 H new ATOM 0 HB VAL A 21 5.696 6.812 10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.789 5.862 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.051 4.638 11.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.943 5.465 13.095 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.360 8.287 11.848 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.469 7.987 13.206 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.056 8.815 11.744 1.00 0.00 H new ATOM 350 N VAL A 22 9.206 7.746 11.617 1.00 0.00 N ATOM 351 CA VAL A 22 10.355 8.433 10.979 1.00 0.00 C ATOM 352 C VAL A 22 11.336 7.514 10.207 1.00 0.00 C ATOM 353 O VAL A 22 11.797 7.883 9.131 1.00 0.00 O ATOM 354 CB VAL A 22 11.070 9.361 11.976 1.00 0.00 C ATOM 355 CG1 VAL A 22 12.358 10.024 11.429 1.00 0.00 C ATOM 356 CG2 VAL A 22 10.089 10.473 12.404 1.00 0.00 C ATOM 0 H VAL A 22 9.127 7.981 12.606 1.00 0.00 H new ATOM 0 HA VAL A 22 9.917 9.047 10.192 1.00 0.00 H new ATOM 0 HB VAL A 22 11.380 8.732 12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.795 10.660 12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.074 9.251 11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.113 10.628 10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.581 11.140 13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.777 11.040 11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.215 10.025 12.876 1.00 0.00 H new ATOM 366 N LYS A 23 11.628 6.265 10.685 1.00 0.00 N ATOM 367 CA LYS A 23 12.336 5.228 9.897 1.00 0.00 C ATOM 368 C LYS A 23 11.511 4.544 8.797 1.00 0.00 C ATOM 369 O LYS A 23 12.029 4.112 7.771 1.00 0.00 O ATOM 370 CB LYS A 23 13.033 4.150 10.771 1.00 0.00 C ATOM 371 CG LYS A 23 12.091 3.319 11.661 1.00 0.00 C ATOM 372 CD LYS A 23 12.405 3.466 13.153 1.00 0.00 C ATOM 373 CE LYS A 23 12.170 4.889 13.670 1.00 0.00 C ATOM 374 NZ LYS A 23 12.357 4.960 15.136 1.00 0.00 N ATOM 0 H LYS A 23 11.376 5.959 11.625 1.00 0.00 H new ATOM 0 HA LYS A 23 13.097 5.820 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.580 3.472 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.769 4.641 11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.061 3.626 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.165 2.268 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.786 2.771 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.443 3.186 13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.859 5.576 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.161 5.211 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.015 5.878 15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.821 4.194 15.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.367 4.858 15.362 1.00 0.00 H new ATOM 388 N ILE A 24 10.169 4.437 8.996 1.00 0.00 N ATOM 389 CA ILE A 24 9.195 3.891 8.050 1.00 0.00 C ATOM 390 C ILE A 24 8.858 4.841 6.922 1.00 0.00 C ATOM 391 O ILE A 24 8.764 4.402 5.785 1.00 0.00 O ATOM 392 CB ILE A 24 7.967 3.250 8.713 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.309 1.742 8.883 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.627 3.508 7.937 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.244 0.963 9.643 1.00 0.00 C ATOM 0 H ILE A 24 9.732 4.747 9.864 1.00 0.00 H new ATOM 0 HA ILE A 24 9.706 3.055 7.574 1.00 0.00 H new ATOM 0 HB ILE A 24 7.770 3.710 9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.443 1.294 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.260 1.649 9.407 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.803 3.026 8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.442 4.580 7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.705 3.097 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.546 -0.081 9.725 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.126 1.386 10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.296 1.025 9.108 1.00 0.00 H new ATOM 407 N ILE A 25 8.700 6.178 7.151 1.00 0.00 N ATOM 408 CA ILE A 25 8.353 7.196 6.123 1.00 0.00 C ATOM 409 C ILE A 25 9.270 7.207 4.876 1.00 0.00 C ATOM 410 O ILE A 25 8.812 7.416 3.754 1.00 0.00 O ATOM 411 CB ILE A 25 7.977 8.588 6.668 1.00 0.00 C ATOM 412 CG1 ILE A 25 9.146 9.311 7.387 1.00 0.00 C ATOM 413 CG2 ILE A 25 6.716 8.431 7.560 1.00 0.00 C ATOM 414 CD1 ILE A 25 8.721 10.493 8.278 1.00 0.00 C ATOM 0 H ILE A 25 8.814 6.583 8.080 1.00 0.00 H new ATOM 0 HA ILE A 25 7.404 6.827 5.733 1.00 0.00 H new ATOM 0 HB ILE A 25 7.750 9.247 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.682 8.586 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.848 9.674 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.429 9.404 7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.897 8.027 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.935 7.752 8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.603 10.937 8.739 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.213 11.242 7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.045 10.138 9.056 1.00 0.00 H new ATOM 426 N ASP A 26 10.571 6.821 5.073 1.00 0.00 N ATOM 427 CA ASP A 26 11.566 6.517 4.040 1.00 0.00 C ATOM 428 C ASP A 26 11.252 5.295 3.139 1.00 0.00 C ATOM 429 O ASP A 26 11.738 5.239 2.011 1.00 0.00 O ATOM 430 CB ASP A 26 12.975 6.293 4.662 1.00 0.00 C ATOM 431 CG ASP A 26 13.379 7.509 5.503 1.00 0.00 C ATOM 432 OD1 ASP A 26 13.461 8.626 4.928 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.610 7.331 6.729 1.00 0.00 O ATOM 0 H ASP A 26 10.954 6.714 6.012 1.00 0.00 H new ATOM 0 HA ASP A 26 11.537 7.401 3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.969 5.397 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.708 6.128 3.872 1.00 0.00 H new ATOM 438 N VAL A 27 10.399 4.304 3.571 1.00 0.00 N ATOM 439 CA VAL A 27 9.950 3.118 2.806 1.00 0.00 C ATOM 440 C VAL A 27 8.962 3.523 1.687 1.00 0.00 C ATOM 441 O VAL A 27 9.179 3.260 0.506 1.00 0.00 O ATOM 442 CB VAL A 27 9.486 1.902 3.673 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.471 1.623 4.831 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.066 1.955 4.241 1.00 0.00 C ATOM 0 H VAL A 27 9.996 4.326 4.508 1.00 0.00 H new ATOM 0 HA VAL A 27 10.838 2.717 2.318 1.00 0.00 H new ATOM 0 HB VAL A 27 9.478 1.090 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.117 0.772 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.457 1.400 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.534 2.501 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.872 1.053 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.964 2.829 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.349 2.021 3.423 1.00 0.00 H new ATOM 454 N LEU A 28 7.858 4.262 2.003 1.00 0.00 N ATOM 455 CA LEU A 28 6.833 4.785 1.084 1.00 0.00 C ATOM 456 C LEU A 28 7.342 5.847 0.061 1.00 0.00 C ATOM 457 O LEU A 28 7.213 5.652 -1.150 1.00 0.00 O ATOM 458 CB LEU A 28 5.547 5.258 1.892 1.00 0.00 C ATOM 459 CG LEU A 28 4.501 4.150 2.295 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.124 2.941 3.002 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.294 4.650 3.117 1.00 0.00 C ATOM 0 H LEU A 28 7.659 4.518 2.970 1.00 0.00 H new ATOM 0 HA LEU A 28 6.546 3.950 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.884 5.752 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.030 6.009 1.295 1.00 0.00 H new ATOM 0 HG LEU A 28 4.121 3.836 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.343 2.221 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.855 2.472 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.617 3.269 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.635 3.812 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.647 5.095 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.747 5.397 2.542 1.00 0.00 H new ATOM 473 N ARG A 29 8.040 6.930 0.526 1.00 0.00 N ATOM 474 CA ARG A 29 8.739 8.028 -0.203 1.00 0.00 C ATOM 475 C ARG A 29 9.769 7.621 -1.265 1.00 0.00 C ATOM 476 O ARG A 29 10.051 8.369 -2.197 1.00 0.00 O ATOM 477 CB ARG A 29 9.380 8.957 0.865 1.00 0.00 C ATOM 478 CG ARG A 29 10.086 10.237 0.374 1.00 0.00 C ATOM 479 CD ARG A 29 10.466 11.166 1.537 1.00 0.00 C ATOM 480 NE ARG A 29 11.164 12.378 0.982 1.00 0.00 N ATOM 481 CZ ARG A 29 11.634 13.396 1.768 1.00 0.00 C ATOM 482 NH1 ARG A 29 11.477 13.363 3.124 1.00 0.00 N ATOM 483 NH2 ARG A 29 12.267 14.457 1.187 1.00 0.00 N ATOM 0 H ARG A 29 8.134 7.065 1.533 1.00 0.00 H new ATOM 0 HA ARG A 29 7.977 8.527 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.598 9.253 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.105 8.370 1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.984 9.966 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.432 10.769 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.574 11.464 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.116 10.645 2.239 1.00 0.00 H new ATOM 0 HE ARG A 29 11.293 12.444 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.005 12.573 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.832 14.128 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.387 14.487 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.620 15.219 1.765 1.00 0.00 H new ATOM 497 N SER A 30 10.389 6.428 -1.102 1.00 0.00 N ATOM 498 CA SER A 30 11.450 5.828 -1.936 1.00 0.00 C ATOM 499 C SER A 30 10.940 5.256 -3.235 1.00 0.00 C ATOM 500 O SER A 30 11.443 5.620 -4.295 1.00 0.00 O ATOM 501 CB SER A 30 12.262 4.718 -1.213 1.00 0.00 C ATOM 502 OG SER A 30 13.063 5.291 -0.183 1.00 0.00 O ATOM 0 H SER A 30 10.139 5.816 -0.325 1.00 0.00 H new ATOM 0 HA SER A 30 12.106 6.673 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.584 3.978 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.896 4.195 -1.929 1.00 0.00 H new ATOM 0 HG SER A 30 12.689 5.055 0.692 1.00 0.00 H new ATOM 508 N HIS A 31 9.866 4.396 -3.204 1.00 0.00 N ATOM 509 CA HIS A 31 9.125 3.821 -4.337 1.00 0.00 C ATOM 510 C HIS A 31 8.555 4.898 -5.272 1.00 0.00 C ATOM 511 O HIS A 31 8.401 4.743 -6.477 1.00 0.00 O ATOM 512 CB HIS A 31 7.967 2.903 -3.838 1.00 0.00 C ATOM 513 CG HIS A 31 8.383 1.731 -2.970 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.361 1.723 -1.589 1.00 0.00 N ATOM 515 CD2 HIS A 31 8.728 0.460 -3.329 1.00 0.00 C ATOM 516 CE1 HIS A 31 8.673 0.464 -1.193 1.00 0.00 C ATOM 517 NE2 HIS A 31 8.903 -0.337 -2.208 1.00 0.00 N ATOM 0 H HIS A 31 9.485 4.077 -2.314 1.00 0.00 H new ATOM 0 HA HIS A 31 9.843 3.228 -4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.260 3.514 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.434 2.517 -4.707 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.150 2.515 -0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.848 0.121 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.726 0.155 -0.160 1.00 0.00 H new ATOM 525 N ASN A 32 8.241 6.052 -4.624 1.00 0.00 N ATOM 526 CA ASN A 32 7.682 7.314 -5.060 1.00 0.00 C ATOM 527 C ASN A 32 8.463 8.089 -6.108 1.00 0.00 C ATOM 528 O ASN A 32 7.886 8.789 -6.934 1.00 0.00 O ATOM 529 CB ASN A 32 7.040 8.133 -3.908 1.00 0.00 C ATOM 530 CG ASN A 32 5.688 7.500 -3.555 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.666 8.184 -3.568 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.641 6.171 -3.305 1.00 0.00 N ATOM 0 H ASN A 32 8.413 6.098 -3.620 1.00 0.00 H new ATOM 0 HA ASN A 32 6.832 7.024 -5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.695 8.138 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.904 9.171 -4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.746 5.718 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.501 5.622 -3.299 1.00 0.00 H new ATOM 539 N GLU A 33 9.806 7.965 -6.156 1.00 0.00 N ATOM 540 CA GLU A 33 10.679 8.530 -7.179 1.00 0.00 C ATOM 541 C GLU A 33 10.564 7.817 -8.543 1.00 0.00 C ATOM 542 O GLU A 33 10.518 8.419 -9.609 1.00 0.00 O ATOM 543 CB GLU A 33 12.130 8.482 -6.615 1.00 0.00 C ATOM 544 CG GLU A 33 12.280 9.114 -5.215 1.00 0.00 C ATOM 545 CD GLU A 33 13.748 9.098 -4.790 1.00 0.00 C ATOM 546 OE1 GLU A 33 14.570 9.774 -5.466 1.00 0.00 O ATOM 547 OE2 GLU A 33 14.067 8.411 -3.782 1.00 0.00 O ATOM 0 H GLU A 33 10.323 7.444 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 33 10.377 9.556 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.457 7.443 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.796 8.997 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.907 10.138 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.677 8.564 -4.492 1.00 0.00 H new ATOM 554 N ALA A 34 10.464 6.476 -8.491 1.00 0.00 N ATOM 555 CA ALA A 34 10.147 5.534 -9.544 1.00 0.00 C ATOM 556 C ALA A 34 8.674 5.518 -9.979 1.00 0.00 C ATOM 557 O ALA A 34 8.324 5.100 -11.081 1.00 0.00 O ATOM 558 CB ALA A 34 10.710 4.176 -9.126 1.00 0.00 C ATOM 0 H ALA A 34 10.623 5.989 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 34 10.626 5.854 -10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.490 3.438 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.789 4.254 -8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.253 3.866 -8.186 1.00 0.00 H new ATOM 564 N CYS A 35 7.754 5.920 -9.055 1.00 0.00 N ATOM 565 CA CYS A 35 6.298 5.957 -9.183 1.00 0.00 C ATOM 566 C CYS A 35 5.714 6.950 -10.179 1.00 0.00 C ATOM 567 O CYS A 35 4.694 6.728 -10.820 1.00 0.00 O ATOM 568 CB CYS A 35 5.586 6.129 -7.805 1.00 0.00 C ATOM 569 SG CYS A 35 5.045 7.851 -7.250 1.00 0.00 S ATOM 0 H CYS A 35 8.052 6.249 -8.137 1.00 0.00 H new ATOM 0 HA CYS A 35 6.090 4.974 -9.605 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.700 5.494 -7.813 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.254 5.734 -7.040 1.00 0.00 H new ATOM 0 HG CYS A 35 6.095 8.579 -7.008 1.00 0.00 H new ATOM 575 N GLN A 36 6.415 8.104 -10.363 1.00 0.00 N ATOM 576 CA GLN A 36 6.164 9.190 -11.339 1.00 0.00 C ATOM 577 C GLN A 36 6.345 8.763 -12.801 1.00 0.00 C ATOM 578 O GLN A 36 6.129 9.509 -13.751 1.00 0.00 O ATOM 579 CB GLN A 36 6.857 10.546 -11.007 1.00 0.00 C ATOM 580 CG GLN A 36 8.384 10.527 -10.777 1.00 0.00 C ATOM 581 CD GLN A 36 9.219 10.471 -12.061 1.00 0.00 C ATOM 582 OE1 GLN A 36 9.243 11.398 -12.876 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.986 9.361 -12.202 1.00 0.00 N ATOM 0 H GLN A 36 7.231 8.309 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 36 5.100 9.395 -11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.648 11.239 -11.822 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.387 10.954 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.665 11.417 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.635 9.666 -10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.938 8.616 -11.507 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.611 9.271 -13.003 1.00 0.00 H new ATOM 592 N GLU A 37 6.908 7.541 -12.930 1.00 0.00 N ATOM 593 CA GLU A 37 7.339 6.932 -14.179 1.00 0.00 C ATOM 594 C GLU A 37 6.527 5.690 -14.400 1.00 0.00 C ATOM 595 O GLU A 37 6.002 5.444 -15.484 1.00 0.00 O ATOM 596 CB GLU A 37 8.862 6.603 -14.084 1.00 0.00 C ATOM 597 CG GLU A 37 9.450 5.486 -14.982 1.00 0.00 C ATOM 598 CD GLU A 37 9.612 5.962 -16.425 1.00 0.00 C ATOM 599 OE1 GLU A 37 8.579 6.153 -17.119 1.00 0.00 O ATOM 600 OE2 GLU A 37 10.784 6.137 -16.857 1.00 0.00 O ATOM 0 H GLU A 37 7.075 6.938 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 37 7.188 7.608 -15.021 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.410 7.520 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.077 6.339 -13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.417 5.172 -14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.797 4.614 -14.956 1.00 0.00 H new ATOM 607 N ASN A 38 6.398 4.851 -13.362 1.00 0.00 N ATOM 608 CA ASN A 38 5.659 3.627 -13.482 1.00 0.00 C ATOM 609 C ASN A 38 4.667 3.674 -12.377 1.00 0.00 C ATOM 610 O ASN A 38 5.010 3.894 -11.222 1.00 0.00 O ATOM 611 CB ASN A 38 6.607 2.415 -13.322 1.00 0.00 C ATOM 612 CG ASN A 38 5.920 1.056 -13.456 1.00 0.00 C ATOM 613 OD1 ASN A 38 4.757 0.936 -13.847 1.00 0.00 O ATOM 614 ND2 ASN A 38 6.652 0.013 -13.012 1.00 0.00 N ATOM 0 H ASN A 38 6.802 5.014 -12.440 1.00 0.00 H new ATOM 0 HA ASN A 38 5.178 3.521 -14.455 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.396 2.485 -14.070 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.088 2.471 -12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.246 -0.922 -12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.611 0.160 -12.698 1.00 0.00 H new ATOM 621 N LYS A 39 3.401 3.340 -12.726 1.00 0.00 N ATOM 622 CA LYS A 39 2.224 3.194 -11.881 1.00 0.00 C ATOM 623 C LYS A 39 2.449 2.270 -10.717 1.00 0.00 C ATOM 624 O LYS A 39 2.128 2.581 -9.578 1.00 0.00 O ATOM 625 CB LYS A 39 0.979 2.756 -12.711 1.00 0.00 C ATOM 626 CG LYS A 39 -0.251 2.243 -11.919 1.00 0.00 C ATOM 627 CD LYS A 39 -0.291 0.712 -11.810 1.00 0.00 C ATOM 628 CE LYS A 39 -1.038 0.058 -12.977 1.00 0.00 C ATOM 629 NZ LYS A 39 -1.115 -1.412 -12.816 1.00 0.00 N ATOM 0 H LYS A 39 3.173 3.151 -13.702 1.00 0.00 H new ATOM 0 HA LYS A 39 2.026 4.180 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.661 3.604 -13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.290 1.970 -13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.239 2.674 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.162 2.592 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.728 0.327 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.771 0.430 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.045 0.471 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.533 0.297 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.627 -1.823 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.154 -1.808 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.619 -1.639 -11.935 1.00 0.00 H new ATOM 643 N ASP A 40 3.060 1.113 -11.027 1.00 0.00 N ATOM 644 CA ASP A 40 3.406 0.169 -10.009 1.00 0.00 C ATOM 645 C ASP A 40 4.693 -0.551 -10.369 1.00 0.00 C ATOM 646 O ASP A 40 4.709 -1.686 -10.818 1.00 0.00 O ATOM 647 CB ASP A 40 2.202 -0.797 -9.661 1.00 0.00 C ATOM 648 CG ASP A 40 1.687 -1.783 -10.734 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.148 -1.747 -11.904 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.775 -2.576 -10.375 1.00 0.00 O ATOM 0 H ASP A 40 3.313 0.832 -11.974 1.00 0.00 H new ATOM 0 HA ASP A 40 3.603 0.709 -9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.495 -1.384 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.360 -0.175 -9.357 1.00 0.00 H new ATOM 655 N LEU A 41 5.857 0.075 -10.039 1.00 0.00 N ATOM 656 CA LEU A 41 7.218 -0.485 -9.927 1.00 0.00 C ATOM 657 C LEU A 41 7.379 -1.550 -8.807 1.00 0.00 C ATOM 658 O LEU A 41 8.107 -2.535 -8.919 1.00 0.00 O ATOM 659 CB LEU A 41 8.274 0.624 -9.950 1.00 0.00 C ATOM 660 CG LEU A 41 8.293 1.653 -8.818 1.00 0.00 C ATOM 661 CD1 LEU A 41 6.984 2.393 -8.559 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.990 1.188 -7.536 1.00 0.00 C ATOM 0 H LEU A 41 5.858 1.073 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 41 7.401 -1.079 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.253 0.146 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.160 1.168 -10.888 1.00 0.00 H new ATOM 0 HG LEU A 41 8.943 2.422 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.119 3.095 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.691 2.938 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.206 1.675 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.953 1.984 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.484 0.304 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.030 0.944 -7.755 1.00 0.00 H new ATOM 674 N GLN A 42 6.538 -1.367 -7.761 1.00 0.00 N ATOM 675 CA GLN A 42 6.110 -2.081 -6.597 1.00 0.00 C ATOM 676 C GLN A 42 4.775 -2.763 -6.758 1.00 0.00 C ATOM 677 O GLN A 42 3.998 -2.535 -5.829 1.00 0.00 O ATOM 678 CB GLN A 42 6.305 -1.403 -5.237 1.00 0.00 C ATOM 679 CG GLN A 42 6.911 -2.335 -4.172 1.00 0.00 C ATOM 680 CD GLN A 42 8.251 -2.931 -4.617 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.157 -2.251 -5.107 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.346 -4.280 -4.481 1.00 0.00 N ATOM 0 H GLN A 42 6.040 -0.477 -7.753 1.00 0.00 H new ATOM 0 HA GLN A 42 6.855 -2.875 -6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.953 -0.535 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.343 -1.034 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.053 -1.780 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.210 -3.142 -3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.575 -4.807 -4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.188 -4.766 -4.789 1.00 0.00 H new ATOM 691 N PRO A 43 4.302 -3.433 -7.872 1.00 0.00 N ATOM 692 CA PRO A 43 2.943 -3.991 -8.117 1.00 0.00 C ATOM 693 C PRO A 43 2.278 -4.705 -6.935 1.00 0.00 C ATOM 694 O PRO A 43 1.069 -4.878 -6.994 1.00 0.00 O ATOM 695 CB PRO A 43 3.104 -4.924 -9.333 1.00 0.00 C ATOM 696 CG PRO A 43 4.556 -5.380 -9.268 1.00 0.00 C ATOM 697 CD PRO A 43 5.250 -4.103 -8.781 1.00 0.00 C ATOM 0 HA PRO A 43 2.252 -3.166 -8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.419 -5.770 -9.279 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.893 -4.402 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.695 -6.212 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.929 -5.706 -10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.181 -4.340 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.506 -3.456 -9.620 1.00 0.00 H new ATOM 705 N TYR A 44 3.086 -5.174 -5.945 1.00 0.00 N ATOM 706 CA TYR A 44 2.785 -5.889 -4.722 1.00 0.00 C ATOM 707 C TYR A 44 3.966 -5.784 -3.745 1.00 0.00 C ATOM 708 O TYR A 44 5.103 -5.560 -4.166 1.00 0.00 O ATOM 709 CB TYR A 44 2.570 -7.412 -4.986 1.00 0.00 C ATOM 710 CG TYR A 44 1.219 -7.636 -5.616 1.00 0.00 C ATOM 711 CD1 TYR A 44 0.113 -7.305 -4.860 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.029 -7.987 -6.950 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.136 -7.237 -5.426 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.243 -7.989 -7.498 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.319 -7.585 -6.740 1.00 0.00 C ATOM 716 OH TYR A 44 -2.594 -7.449 -7.317 1.00 0.00 O ATOM 0 H TYR A 44 4.093 -5.027 -6.019 1.00 0.00 H new ATOM 0 HA TYR A 44 1.879 -5.442 -4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.354 -7.791 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.641 -7.966 -4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.232 -7.096 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.878 -8.259 -7.560 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.978 -6.908 -4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.391 -8.307 -8.519 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.266 -7.366 -6.609 1.00 0.00 H new ATOM 726 N MET A 45 3.671 -5.978 -2.428 1.00 0.00 N ATOM 727 CA MET A 45 4.519 -5.966 -1.228 1.00 0.00 C ATOM 728 C MET A 45 3.772 -6.762 -0.128 1.00 0.00 C ATOM 729 O MET A 45 2.544 -6.649 -0.136 1.00 0.00 O ATOM 730 CB MET A 45 4.665 -4.551 -0.522 1.00 0.00 C ATOM 731 CG MET A 45 5.063 -3.305 -1.345 1.00 0.00 C ATOM 732 SD MET A 45 4.289 -1.778 -0.684 1.00 0.00 S ATOM 733 CE MET A 45 5.635 -0.588 -0.915 1.00 0.00 C ATOM 0 H MET A 45 2.705 -6.170 -2.164 1.00 0.00 H new ATOM 0 HA MET A 45 5.487 -6.336 -1.566 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.711 -4.330 -0.043 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.403 -4.662 0.273 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.147 -3.196 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.764 -3.444 -2.384 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.587 0.171 -0.135 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.592 -1.106 -0.859 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.537 -0.112 -1.891 1.00 0.00 H new ATOM 743 N PRO A 46 4.300 -7.562 0.841 1.00 0.00 N ATOM 744 CA PRO A 46 3.565 -7.974 2.066 1.00 0.00 C ATOM 745 C PRO A 46 3.414 -6.808 3.100 1.00 0.00 C ATOM 746 O PRO A 46 4.207 -5.867 3.070 1.00 0.00 O ATOM 747 CB PRO A 46 4.533 -9.031 2.661 1.00 0.00 C ATOM 748 CG PRO A 46 5.940 -8.535 2.282 1.00 0.00 C ATOM 749 CD PRO A 46 5.687 -8.042 0.844 1.00 0.00 C ATOM 0 HA PRO A 46 2.552 -8.312 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.419 -9.107 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.339 -10.021 2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.289 -7.738 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.685 -9.330 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.380 -7.246 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.827 -8.846 0.122 1.00 0.00 H new ATOM 757 N ILE A 47 2.451 -6.883 4.084 1.00 0.00 N ATOM 758 CA ILE A 47 2.207 -5.933 5.216 1.00 0.00 C ATOM 759 C ILE A 47 3.474 -5.733 6.100 1.00 0.00 C ATOM 760 O ILE A 47 3.895 -4.598 6.322 1.00 0.00 O ATOM 761 CB ILE A 47 0.858 -6.174 5.948 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.292 -5.925 4.928 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.704 -5.301 7.223 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.728 -6.020 5.481 1.00 0.00 C ATOM 0 H ILE A 47 1.788 -7.658 4.102 1.00 0.00 H new ATOM 0 HA ILE A 47 2.045 -4.942 4.792 1.00 0.00 H new ATOM 0 HB ILE A 47 0.822 -7.203 6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.157 -4.934 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.190 -6.644 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.256 -5.511 7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.508 -5.532 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.752 -4.247 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.440 -5.828 4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.897 -7.018 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.863 -5.281 6.271 1.00 0.00 H new ATOM 776 N PRO A 48 4.143 -6.795 6.601 1.00 0.00 N ATOM 777 CA PRO A 48 5.532 -6.837 7.038 1.00 0.00 C ATOM 778 C PRO A 48 6.651 -6.294 6.088 1.00 0.00 C ATOM 779 O PRO A 48 7.758 -6.152 6.585 1.00 0.00 O ATOM 780 CB PRO A 48 5.744 -8.079 7.928 1.00 0.00 C ATOM 781 CG PRO A 48 4.404 -8.830 7.858 1.00 0.00 C ATOM 782 CD PRO A 48 3.541 -8.111 6.792 1.00 0.00 C ATOM 0 HA PRO A 48 5.732 -5.987 7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.565 -8.695 7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.989 -7.797 8.952 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.560 -9.874 7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.906 -8.822 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.528 -8.673 5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.507 -8.021 7.124 1.00 0.00 H new ATOM 790 N HIS A 49 6.537 -6.040 4.725 1.00 0.00 N ATOM 791 CA HIS A 49 7.654 -5.450 3.895 1.00 0.00 C ATOM 792 C HIS A 49 8.182 -4.127 4.448 1.00 0.00 C ATOM 793 O HIS A 49 9.380 -3.932 4.625 1.00 0.00 O ATOM 794 CB HIS A 49 7.203 -5.013 2.429 1.00 0.00 C ATOM 795 CG HIS A 49 7.986 -3.914 1.653 1.00 0.00 C ATOM 796 ND1 HIS A 49 9.351 -3.648 1.709 1.00 0.00 N ATOM 797 CD2 HIS A 49 7.423 -2.747 1.248 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.517 -2.339 1.374 1.00 0.00 C ATOM 799 NE2 HIS A 49 8.373 -1.755 1.092 1.00 0.00 N ATOM 0 H HIS A 49 5.690 -6.235 4.191 1.00 0.00 H new ATOM 0 HA HIS A 49 8.384 -6.259 3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.210 -5.910 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.167 -4.681 2.497 1.00 0.00 H new ATOM 0 HD1 HIS A 49 10.088 -4.309 1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.366 -2.611 1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.474 -1.840 1.343 1.00 0.00 H new ATOM 807 N VAL A 50 7.231 -3.227 4.762 1.00 0.00 N ATOM 808 CA VAL A 50 7.382 -1.910 5.373 1.00 0.00 C ATOM 809 C VAL A 50 7.852 -2.058 6.825 1.00 0.00 C ATOM 810 O VAL A 50 8.639 -1.262 7.317 1.00 0.00 O ATOM 811 CB VAL A 50 6.258 -0.930 5.012 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.483 -1.309 3.743 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.440 -0.456 6.198 1.00 0.00 C ATOM 0 H VAL A 50 6.250 -3.431 4.573 1.00 0.00 H new ATOM 0 HA VAL A 50 8.202 -1.353 4.919 1.00 0.00 H new ATOM 0 HB VAL A 50 6.758 -0.011 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.706 -0.567 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.167 -1.340 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.025 -2.289 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.668 0.233 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.973 -1.313 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.091 0.053 6.909 1.00 0.00 H new ATOM 823 N ARG A 51 7.448 -3.175 7.523 1.00 0.00 N ATOM 824 CA ARG A 51 8.113 -3.668 8.736 1.00 0.00 C ATOM 825 C ARG A 51 9.573 -4.107 8.550 1.00 0.00 C ATOM 826 O ARG A 51 10.381 -3.766 9.395 1.00 0.00 O ATOM 827 CB ARG A 51 7.321 -4.722 9.580 1.00 0.00 C ATOM 828 CG ARG A 51 7.847 -6.191 9.721 1.00 0.00 C ATOM 829 CD ARG A 51 9.112 -6.634 10.505 1.00 0.00 C ATOM 830 NE ARG A 51 9.888 -7.665 9.722 1.00 0.00 N ATOM 831 CZ ARG A 51 9.534 -8.986 9.618 1.00 0.00 C ATOM 832 NH1 ARG A 51 8.431 -9.478 10.250 1.00 0.00 N ATOM 833 NH2 ARG A 51 10.310 -9.824 8.868 1.00 0.00 N ATOM 0 H ARG A 51 6.649 -3.743 7.241 1.00 0.00 H new ATOM 0 HA ARG A 51 8.125 -2.756 9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.223 -4.318 10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.317 -4.780 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.021 -6.760 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.990 -6.552 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.744 -5.769 10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.822 -7.046 11.471 1.00 0.00 H new ATOM 0 HE ARG A 51 10.732 -7.359 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.849 -8.860 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.188 -10.464 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.139 -9.465 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.060 -10.809 8.781 1.00 0.00 H new ATOM 847 N ASP A 52 10.052 -4.796 7.459 1.00 0.00 N ATOM 848 CA ASP A 52 11.454 -5.301 7.267 1.00 0.00 C ATOM 849 C ASP A 52 12.610 -4.260 7.415 1.00 0.00 C ATOM 850 O ASP A 52 13.798 -4.558 7.499 1.00 0.00 O ATOM 851 CB ASP A 52 11.572 -6.095 5.926 1.00 0.00 C ATOM 852 CG ASP A 52 12.734 -7.100 5.912 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.737 -8.011 6.781 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.625 -6.966 5.031 1.00 0.00 O ATOM 0 H ASP A 52 9.451 -5.021 6.666 1.00 0.00 H new ATOM 0 HA ASP A 52 11.612 -5.963 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.639 -6.628 5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.701 -5.390 5.105 1.00 0.00 H new ATOM 859 N SER A 53 12.157 -2.993 7.430 1.00 0.00 N ATOM 860 CA SER A 53 12.735 -1.688 7.620 1.00 0.00 C ATOM 861 C SER A 53 12.810 -1.116 9.052 1.00 0.00 C ATOM 862 O SER A 53 13.522 -0.130 9.226 1.00 0.00 O ATOM 863 CB SER A 53 11.754 -0.740 6.928 1.00 0.00 C ATOM 864 OG SER A 53 11.451 -1.167 5.600 1.00 0.00 O ATOM 0 H SER A 53 11.157 -2.866 7.272 1.00 0.00 H new ATOM 0 HA SER A 53 13.762 -1.775 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.834 -0.681 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.178 0.264 6.899 1.00 0.00 H new ATOM 0 HG SER A 53 10.497 -1.380 5.535 1.00 0.00 H new ATOM 870 N LEU A 54 12.033 -1.623 10.101 1.00 0.00 N ATOM 871 CA LEU A 54 11.906 -0.971 11.437 1.00 0.00 C ATOM 872 C LEU A 54 13.231 -1.057 12.202 1.00 0.00 C ATOM 873 O LEU A 54 13.615 -0.169 12.956 1.00 0.00 O ATOM 874 CB LEU A 54 10.968 -1.608 12.588 1.00 0.00 C ATOM 875 CG LEU A 54 9.528 -2.134 12.384 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.646 -1.356 11.432 1.00 0.00 C ATOM 877 CD2 LEU A 54 9.547 -3.632 12.149 1.00 0.00 C ATOM 0 H LEU A 54 11.494 -2.485 10.021 1.00 0.00 H new ATOM 0 HA LEU A 54 11.508 -0.015 11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.533 -2.443 13.003 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.899 -0.850 13.368 1.00 0.00 H new ATOM 0 HG LEU A 54 9.009 -1.942 13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.665 -1.827 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.538 -0.332 11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.099 -1.347 10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.528 -3.991 12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.137 -3.853 11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.990 -4.130 13.011 1.00 0.00 H new ATOM 889 N ILE A 55 13.826 -2.266 12.048 1.00 0.00 N ATOM 890 CA ILE A 55 15.007 -2.831 12.727 1.00 0.00 C ATOM 891 C ILE A 55 15.612 -3.885 11.777 1.00 0.00 C ATOM 892 O ILE A 55 14.883 -4.434 10.953 1.00 0.00 O ATOM 893 CB ILE A 55 14.606 -3.428 14.100 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.328 -2.388 15.206 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.587 -4.443 14.716 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.903 -2.567 15.721 1.00 0.00 C ATOM 0 H ILE A 55 13.448 -2.933 11.375 1.00 0.00 H new ATOM 0 HA ILE A 55 15.753 -2.065 12.940 1.00 0.00 H new ATOM 0 HB ILE A 55 13.690 -3.940 13.805 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.040 -2.510 16.022 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.461 -1.380 14.814 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.198 -4.789 15.674 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.702 -5.292 14.043 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.555 -3.967 14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.704 -1.834 16.502 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.199 -2.424 14.901 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.787 -3.571 16.128 1.00 0.00 H new ATOM 908 N GLN A 56 16.946 -4.184 11.863 1.00 0.00 N ATOM 909 CA GLN A 56 17.692 -5.150 11.038 1.00 0.00 C ATOM 910 C GLN A 56 17.863 -6.634 11.448 1.00 0.00 C ATOM 911 O GLN A 56 17.678 -7.463 10.556 1.00 0.00 O ATOM 912 CB GLN A 56 19.061 -4.543 10.612 1.00 0.00 C ATOM 913 CG GLN A 56 18.903 -3.442 9.538 1.00 0.00 C ATOM 914 CD GLN A 56 18.502 -4.069 8.197 1.00 0.00 C ATOM 915 OE1 GLN A 56 19.339 -4.637 7.497 1.00 0.00 O ATOM 916 NE2 GLN A 56 17.204 -3.983 7.828 1.00 0.00 N ATOM 0 H GLN A 56 17.547 -3.727 12.549 1.00 0.00 H new ATOM 0 HA GLN A 56 16.978 -5.279 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.560 -4.126 11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.703 -5.335 10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.147 -2.722 9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.839 -2.894 9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.533 -3.505 8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.896 -4.396 6.948 1.00 0.00 H new ATOM 925 N PRO A 57 18.273 -7.067 12.666 1.00 0.00 N ATOM 926 CA PRO A 57 18.610 -8.467 12.993 1.00 0.00 C ATOM 927 C PRO A 57 17.380 -9.325 13.348 1.00 0.00 C ATOM 928 O PRO A 57 16.334 -9.218 12.722 1.00 0.00 O ATOM 929 CB PRO A 57 19.514 -8.258 14.232 1.00 0.00 C ATOM 930 CG PRO A 57 18.813 -7.096 14.937 1.00 0.00 C ATOM 931 CD PRO A 57 18.640 -6.157 13.747 1.00 0.00 C ATOM 0 HA PRO A 57 19.064 -9.007 12.162 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.561 -9.148 14.859 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.538 -8.010 13.954 1.00 0.00 H new ATOM 0 HG2 PRO A 57 17.862 -7.388 15.384 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.418 -6.660 15.732 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.865 -5.412 13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.558 -5.614 13.524 1.00 0.00 H new ATOM 939 N HIS A 58 17.499 -10.169 14.415 1.00 0.00 N ATOM 940 CA HIS A 58 16.524 -11.077 15.025 1.00 0.00 C ATOM 941 C HIS A 58 15.330 -10.390 15.691 1.00 0.00 C ATOM 942 O HIS A 58 14.246 -10.948 15.801 1.00 0.00 O ATOM 943 CB HIS A 58 17.201 -12.136 15.939 1.00 0.00 C ATOM 944 CG HIS A 58 17.903 -11.580 17.150 1.00 0.00 C ATOM 945 ND1 HIS A 58 19.269 -11.468 17.305 1.00 0.00 N ATOM 946 CD2 HIS A 58 17.360 -11.136 18.314 1.00 0.00 C ATOM 947 CE1 HIS A 58 19.482 -10.963 18.547 1.00 0.00 C ATOM 948 NE2 HIS A 58 18.354 -10.746 19.193 1.00 0.00 N ATOM 0 H HIS A 58 18.388 -10.223 14.913 1.00 0.00 H new ATOM 0 HA HIS A 58 16.081 -11.612 14.185 1.00 0.00 H new ATOM 0 HB2 HIS A 58 16.442 -12.844 16.272 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.923 -12.697 15.346 1.00 0.00 H new ATOM 0 HD2 HIS A 58 16.301 -11.094 18.523 1.00 0.00 H new ATOM 0 HE1 HIS A 58 20.461 -10.763 18.957 1.00 0.00 H new ATOM 0 HE2 HIS A 58 18.239 -10.372 20.135 1.00 0.00 H new ATOM 956 N ASP A 59 15.522 -9.123 16.149 1.00 0.00 N ATOM 957 CA ASP A 59 14.555 -8.224 16.753 1.00 0.00 C ATOM 958 C ASP A 59 13.789 -7.411 15.716 1.00 0.00 C ATOM 959 O ASP A 59 13.046 -6.512 16.090 1.00 0.00 O ATOM 960 CB ASP A 59 15.232 -7.218 17.733 1.00 0.00 C ATOM 961 CG ASP A 59 15.943 -7.966 18.861 1.00 0.00 C ATOM 962 OD1 ASP A 59 15.250 -8.696 19.619 1.00 0.00 O ATOM 963 OD2 ASP A 59 17.186 -7.806 18.985 1.00 0.00 O ATOM 0 H ASP A 59 16.442 -8.687 16.090 1.00 0.00 H new ATOM 0 HA ASP A 59 13.864 -8.871 17.294 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.947 -6.599 17.191 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.482 -6.547 18.150 1.00 0.00 H new ATOM 968 N ARG A 60 13.939 -7.668 14.371 1.00 0.00 N ATOM 969 CA ARG A 60 13.322 -6.974 13.222 1.00 0.00 C ATOM 970 C ARG A 60 11.831 -6.717 13.331 1.00 0.00 C ATOM 971 O ARG A 60 11.394 -5.612 13.077 1.00 0.00 O ATOM 972 CB ARG A 60 13.702 -7.518 11.807 1.00 0.00 C ATOM 973 CG ARG A 60 13.039 -8.836 11.360 1.00 0.00 C ATOM 974 CD ARG A 60 13.456 -10.075 12.173 1.00 0.00 C ATOM 975 NE ARG A 60 12.233 -10.895 12.482 1.00 0.00 N ATOM 976 CZ ARG A 60 12.286 -12.163 12.995 1.00 0.00 C ATOM 977 NH1 ARG A 60 13.483 -12.788 13.196 1.00 0.00 N ATOM 978 NH2 ARG A 60 11.126 -12.808 13.309 1.00 0.00 N ATOM 0 H ARG A 60 14.544 -8.427 14.057 1.00 0.00 H new ATOM 0 HA ARG A 60 13.806 -6.001 13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.458 -6.750 11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.783 -7.656 11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.957 -8.723 11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.278 -9.009 10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.175 -10.670 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.948 -9.771 13.097 1.00 0.00 H new ATOM 0 HE ARG A 60 11.317 -10.485 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.353 -12.310 12.963 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.507 -13.733 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.229 -12.345 13.161 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.155 -13.753 13.692 1.00 0.00 H new ATOM 992 N LYS A 61 11.044 -7.722 13.803 1.00 0.00 N ATOM 993 CA LYS A 61 9.626 -7.691 14.162 1.00 0.00 C ATOM 994 C LYS A 61 9.288 -6.909 15.401 1.00 0.00 C ATOM 995 O LYS A 61 8.148 -6.489 15.554 1.00 0.00 O ATOM 996 CB LYS A 61 8.903 -9.068 14.054 1.00 0.00 C ATOM 997 CG LYS A 61 7.657 -9.381 14.936 1.00 0.00 C ATOM 998 CD LYS A 61 7.983 -9.824 16.371 1.00 0.00 C ATOM 999 CE LYS A 61 6.737 -10.262 17.152 1.00 0.00 C ATOM 1000 NZ LYS A 61 7.085 -10.625 18.545 1.00 0.00 N ATOM 0 H LYS A 61 11.436 -8.652 13.950 1.00 0.00 H new ATOM 0 HA LYS A 61 9.187 -7.090 13.366 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.600 -9.191 13.014 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.646 -9.838 14.262 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.026 -8.493 14.978 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.073 -10.164 14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.696 -10.648 16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.468 -9.003 16.899 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.003 -9.456 17.155 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.273 -11.114 16.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.226 -10.918 19.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.768 -11.409 18.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.506 -9.803 19.023 1.00 0.00 H new ATOM 1014 N LYS A 62 10.209 -6.728 16.378 1.00 0.00 N ATOM 1015 CA LYS A 62 9.941 -6.098 17.670 1.00 0.00 C ATOM 1016 C LYS A 62 9.334 -4.698 17.714 1.00 0.00 C ATOM 1017 O LYS A 62 8.546 -4.417 18.609 1.00 0.00 O ATOM 1018 CB LYS A 62 11.175 -6.294 18.601 1.00 0.00 C ATOM 1019 CG LYS A 62 11.020 -5.773 20.042 1.00 0.00 C ATOM 1020 CD LYS A 62 11.739 -4.448 20.373 1.00 0.00 C ATOM 1021 CE LYS A 62 13.271 -4.472 20.226 1.00 0.00 C ATOM 1022 NZ LYS A 62 13.891 -5.502 21.091 1.00 0.00 N ATOM 0 H LYS A 62 11.179 -7.027 16.276 1.00 0.00 H new ATOM 0 HA LYS A 62 9.076 -6.638 18.055 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.409 -7.358 18.643 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.032 -5.797 18.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.957 -5.645 20.247 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.386 -6.540 20.724 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.341 -3.667 19.725 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.494 -4.168 21.397 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.533 -4.665 19.186 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.676 -3.492 20.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.925 -5.464 20.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.634 -5.323 22.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.550 -6.443 20.809 1.00 0.00 H new ATOM 1036 N MET A 63 9.565 -3.827 16.700 1.00 0.00 N ATOM 1037 CA MET A 63 8.771 -2.610 16.586 1.00 0.00 C ATOM 1038 C MET A 63 7.711 -2.787 15.510 1.00 0.00 C ATOM 1039 O MET A 63 6.946 -1.854 15.295 1.00 0.00 O ATOM 1040 CB MET A 63 9.535 -1.269 16.431 1.00 0.00 C ATOM 1041 CG MET A 63 10.102 -0.709 17.754 1.00 0.00 C ATOM 1042 SD MET A 63 10.562 1.057 17.660 1.00 0.00 S ATOM 1043 CE MET A 63 11.671 1.015 16.219 1.00 0.00 C ATOM 0 H MET A 63 10.275 -3.951 15.978 1.00 0.00 H new ATOM 0 HA MET A 63 8.313 -2.493 17.568 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.356 -1.410 15.728 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.864 -0.529 15.994 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.361 -0.842 18.543 1.00 0.00 H new ATOM 0 HG3 MET A 63 10.979 -1.290 18.039 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.129 1.995 16.084 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.450 0.270 16.381 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.100 0.755 15.328 1.00 0.00 H new ATOM 1053 N LYS A 64 7.544 -3.986 14.816 1.00 0.00 N ATOM 1054 CA LYS A 64 6.469 -4.256 13.858 1.00 0.00 C ATOM 1055 C LYS A 64 5.089 -4.213 14.508 1.00 0.00 C ATOM 1056 O LYS A 64 4.117 -3.630 14.042 1.00 0.00 O ATOM 1057 CB LYS A 64 6.487 -5.590 13.002 1.00 0.00 C ATOM 1058 CG LYS A 64 5.522 -6.776 13.298 1.00 0.00 C ATOM 1059 CD LYS A 64 5.604 -7.904 12.261 1.00 0.00 C ATOM 1060 CE LYS A 64 4.676 -9.083 12.570 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.814 -10.138 11.540 1.00 0.00 N ATOM 0 H LYS A 64 8.178 -4.776 14.934 1.00 0.00 H new ATOM 0 HA LYS A 64 6.675 -3.444 13.161 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.319 -5.300 11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.500 -5.987 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.749 -7.182 14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.499 -6.401 13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.355 -7.503 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.631 -8.264 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.914 -9.492 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.643 -8.739 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.044 -10.829 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.766 -9.708 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.729 -10.618 11.655 1.00 0.00 H new ATOM 1075 N LYS A 65 5.105 -4.831 15.678 1.00 0.00 N ATOM 1076 CA LYS A 65 4.102 -4.920 16.739 1.00 0.00 C ATOM 1077 C LYS A 65 3.528 -3.527 17.182 1.00 0.00 C ATOM 1078 O LYS A 65 2.325 -3.347 17.362 1.00 0.00 O ATOM 1079 CB LYS A 65 4.670 -5.728 17.926 1.00 0.00 C ATOM 1080 CG LYS A 65 3.621 -6.177 18.961 1.00 0.00 C ATOM 1081 CD LYS A 65 4.157 -7.261 19.914 1.00 0.00 C ATOM 1082 CE LYS A 65 5.294 -6.772 20.823 1.00 0.00 C ATOM 1083 NZ LYS A 65 5.773 -7.865 21.702 1.00 0.00 N ATOM 0 H LYS A 65 5.937 -5.356 15.946 1.00 0.00 H new ATOM 0 HA LYS A 65 3.242 -5.451 16.332 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.177 -6.611 17.537 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.424 -5.124 18.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.298 -5.314 19.543 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.742 -6.558 18.441 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.338 -7.625 20.534 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.512 -8.107 19.326 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.119 -6.401 20.214 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.946 -5.937 21.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.541 -7.512 22.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.989 -8.200 22.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.125 -8.651 21.119 1.00 0.00 H new ATOM 1097 N VAL A 66 4.426 -2.477 17.245 1.00 0.00 N ATOM 1098 CA VAL A 66 4.114 -1.038 17.399 1.00 0.00 C ATOM 1099 C VAL A 66 3.614 -0.452 16.085 1.00 0.00 C ATOM 1100 O VAL A 66 2.658 0.320 16.069 1.00 0.00 O ATOM 1101 CB VAL A 66 5.245 -0.118 17.892 1.00 0.00 C ATOM 1102 CG1 VAL A 66 4.688 1.316 18.182 1.00 0.00 C ATOM 1103 CG2 VAL A 66 5.898 -0.718 19.156 1.00 0.00 C ATOM 0 H VAL A 66 5.431 -2.641 17.185 1.00 0.00 H new ATOM 0 HA VAL A 66 3.361 -1.051 18.187 1.00 0.00 H new ATOM 0 HB VAL A 66 6.005 -0.038 17.114 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.498 1.957 18.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.262 1.732 17.269 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.916 1.258 18.949 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.698 -0.061 19.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.148 -0.817 19.941 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.310 -1.700 18.922 1.00 0.00 H new ATOM 1113 N TRP A 67 4.221 -0.816 14.916 1.00 0.00 N ATOM 1114 CA TRP A 67 3.839 -0.405 13.558 1.00 0.00 C ATOM 1115 C TRP A 67 2.377 -0.716 13.214 1.00 0.00 C ATOM 1116 O TRP A 67 1.715 0.119 12.622 1.00 0.00 O ATOM 1117 CB TRP A 67 4.865 -0.866 12.468 1.00 0.00 C ATOM 1118 CG TRP A 67 4.479 -0.668 11.005 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.209 -1.658 10.109 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.101 0.570 10.368 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.725 -1.121 8.948 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.657 0.248 9.085 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.095 1.864 10.812 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.213 1.211 8.226 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.587 2.827 9.966 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.174 2.509 8.687 1.00 0.00 C ATOM 0 H TRP A 67 5.031 -1.437 14.912 1.00 0.00 H new ATOM 0 HA TRP A 67 3.892 0.684 13.552 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.801 -0.336 12.643 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.065 -1.926 12.622 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.356 -2.713 10.289 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.458 -1.648 8.117 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.474 2.122 11.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.903 0.965 7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.511 3.848 10.310 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.814 3.292 8.036 1.00 0.00 H new ATOM 1137 N ASP A 68 1.814 -1.860 13.709 1.00 0.00 N ATOM 1138 CA ASP A 68 0.387 -2.239 13.643 1.00 0.00 C ATOM 1139 C ASP A 68 -0.583 -1.187 14.227 1.00 0.00 C ATOM 1140 O ASP A 68 -1.647 -0.916 13.679 1.00 0.00 O ATOM 1141 CB ASP A 68 0.133 -3.575 14.392 1.00 0.00 C ATOM 1142 CG ASP A 68 0.959 -4.705 13.770 1.00 0.00 C ATOM 1143 OD1 ASP A 68 0.918 -4.854 12.520 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.626 -5.447 14.538 1.00 0.00 O ATOM 0 H ASP A 68 2.376 -2.567 14.183 1.00 0.00 H new ATOM 0 HA ASP A 68 0.182 -2.329 12.576 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.393 -3.464 15.445 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.927 -3.826 14.350 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.152 -0.520 15.333 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.701 0.671 15.972 1.00 0.00 C ATOM 1151 C ARG A 69 -0.345 1.958 15.219 1.00 0.00 C ATOM 1152 O ARG A 69 -1.234 2.720 14.858 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.208 0.709 17.448 1.00 0.00 C ATOM 1154 CG ARG A 69 -1.063 1.483 18.478 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.041 3.028 18.379 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.322 3.543 17.770 1.00 0.00 N ATOM 1157 CZ ARG A 69 -3.456 3.820 18.488 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -3.508 3.611 19.835 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.553 4.314 17.845 1.00 0.00 N ATOM 0 H ARG A 69 0.672 -0.850 15.836 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.789 0.615 15.950 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.116 -0.320 17.796 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.794 1.139 17.455 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.096 1.150 18.381 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.730 1.201 19.477 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.906 3.459 19.371 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.192 3.346 17.775 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.345 3.694 16.762 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.693 3.242 20.326 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.361 3.824 20.351 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.525 4.474 16.838 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.401 4.523 18.371 1.00 0.00 H new ATOM 1173 N ALA A 70 0.966 2.248 14.927 1.00 0.00 N ATOM 1174 CA ALA A 70 1.504 3.428 14.217 1.00 0.00 C ATOM 1175 C ALA A 70 0.911 3.698 12.812 1.00 0.00 C ATOM 1176 O ALA A 70 0.676 4.840 12.394 1.00 0.00 O ATOM 1177 CB ALA A 70 3.036 3.427 14.213 1.00 0.00 C ATOM 0 H ALA A 70 1.713 1.612 15.206 1.00 0.00 H new ATOM 0 HA ALA A 70 1.159 4.280 14.803 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.399 4.308 13.683 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.403 3.444 15.239 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.398 2.528 13.714 1.00 0.00 H new ATOM 1183 N VAL A 71 0.547 2.552 12.142 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.261 2.340 10.922 1.00 0.00 C ATOM 1185 C VAL A 71 -1.591 3.055 10.994 1.00 0.00 C ATOM 1186 O VAL A 71 -2.017 3.613 9.997 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.569 0.841 10.642 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.819 0.489 9.794 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.596 0.246 9.861 1.00 0.00 C ATOM 0 H VAL A 71 0.862 1.652 12.504 1.00 0.00 H new ATOM 0 HA VAL A 71 0.355 2.743 10.118 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.747 0.447 11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.895 -0.593 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.713 0.869 10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.729 0.944 8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.397 -0.806 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.715 0.783 8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.510 0.334 10.448 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.277 3.118 12.178 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.556 3.803 12.400 1.00 0.00 C ATOM 1201 C ASP A 72 -3.453 5.324 12.170 1.00 0.00 C ATOM 1202 O ASP A 72 -4.195 5.855 11.347 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.178 3.354 13.767 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.559 3.961 14.052 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.516 3.624 13.306 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.666 4.774 15.008 1.00 0.00 O ATOM 0 H ASP A 72 -1.926 2.670 13.025 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.275 3.493 11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.261 2.267 13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.498 3.630 14.573 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.438 6.029 12.767 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.108 7.423 12.438 1.00 0.00 C ATOM 1213 C PHE A 73 -1.512 7.601 11.010 1.00 0.00 C ATOM 1214 O PHE A 73 -2.071 8.365 10.223 1.00 0.00 O ATOM 1215 CB PHE A 73 -1.171 8.115 13.468 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.958 9.607 13.167 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -2.024 10.492 13.119 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.288 10.076 12.776 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.852 11.808 12.741 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.462 11.390 12.395 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.603 12.263 12.382 1.00 0.00 C ATOM 0 H PHE A 73 -1.837 5.630 13.488 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.078 7.919 12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.593 8.007 14.467 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.206 7.608 13.473 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.011 10.144 13.383 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.133 9.403 12.770 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.697 12.481 12.727 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.442 11.738 12.104 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.460 13.294 12.093 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.376 6.921 10.632 1.00 0.00 N ATOM 1232 CA LEU A 74 0.265 7.112 9.299 1.00 0.00 C ATOM 1233 C LEU A 74 -0.585 6.725 8.075 1.00 0.00 C ATOM 1234 O LEU A 74 -0.614 7.472 7.107 1.00 0.00 O ATOM 1235 CB LEU A 74 1.674 6.472 9.186 1.00 0.00 C ATOM 1236 CG LEU A 74 2.571 7.177 8.130 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.412 8.314 8.734 1.00 0.00 C ATOM 1238 CD2 LEU A 74 3.462 6.187 7.374 1.00 0.00 C ATOM 0 H LEU A 74 0.102 6.247 11.230 1.00 0.00 H new ATOM 0 HA LEU A 74 0.366 8.197 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.165 6.511 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.570 5.419 8.924 1.00 0.00 H new ATOM 0 HG LEU A 74 1.885 7.625 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.019 8.772 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.751 9.065 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.062 7.912 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.070 6.726 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.113 5.671 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.838 5.459 6.856 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.343 5.590 8.095 1.00 0.00 N ATOM 1251 CA ALA A 75 -2.281 5.215 7.043 1.00 0.00 C ATOM 1252 C ALA A 75 -3.575 6.060 6.953 1.00 0.00 C ATOM 1253 O ALA A 75 -4.004 6.365 5.842 1.00 0.00 O ATOM 1254 CB ALA A 75 -2.599 3.710 7.111 1.00 0.00 C ATOM 0 H ALA A 75 -1.305 4.916 8.859 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.757 5.444 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.300 3.450 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.680 3.138 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.042 3.475 8.079 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.228 6.513 8.082 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.397 7.387 8.074 1.00 0.00 C ATOM 1262 C ALA A 76 -5.048 8.830 7.710 1.00 0.00 C ATOM 1263 O ALA A 76 -5.831 9.530 7.075 1.00 0.00 O ATOM 1264 CB ALA A 76 -6.114 7.345 9.440 1.00 0.00 C ATOM 0 H ALA A 76 -3.928 6.260 9.024 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.066 7.010 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.983 8.003 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.437 6.325 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.430 7.677 10.221 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.815 9.284 8.061 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.305 10.594 7.682 1.00 0.00 C ATOM 1272 C ASN A 77 -2.182 10.496 6.640 1.00 0.00 C ATOM 1273 O ASN A 77 -1.100 11.041 6.853 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.888 11.418 8.930 1.00 0.00 C ATOM 1275 CG ASN A 77 -4.129 11.826 9.728 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -4.378 11.348 10.837 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -4.931 12.771 9.164 1.00 0.00 N ATOM 0 H ASN A 77 -3.158 8.736 8.617 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.119 11.136 7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.219 10.829 9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.336 12.306 8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.759 13.099 9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.703 13.151 8.245 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.509 9.850 5.474 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.757 9.701 4.213 1.00 0.00 C ATOM 1286 C GLU A 78 -1.419 8.259 3.798 1.00 0.00 C ATOM 1287 O GLU A 78 -0.436 7.669 4.237 1.00 0.00 O ATOM 1288 CB GLU A 78 -0.511 10.625 4.015 1.00 0.00 C ATOM 1289 CG GLU A 78 -0.014 10.754 2.561 1.00 0.00 C ATOM 1290 CD GLU A 78 1.173 11.716 2.502 1.00 0.00 C ATOM 1291 OE1 GLU A 78 0.979 12.917 2.833 1.00 0.00 O ATOM 1292 OE2 GLU A 78 2.285 11.265 2.121 1.00 0.00 O ATOM 0 H GLU A 78 -3.408 9.374 5.404 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.518 10.070 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.753 11.620 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.305 10.244 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.280 9.776 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.820 11.117 1.923 1.00 0.00 H new ATOM 1299 N SER A 79 -2.213 7.668 2.861 1.00 0.00 N ATOM 1300 CA SER A 79 -2.017 6.323 2.321 1.00 0.00 C ATOM 1301 C SER A 79 -2.287 6.293 0.817 1.00 0.00 C ATOM 1302 O SER A 79 -3.427 6.408 0.378 1.00 0.00 O ATOM 1303 CB SER A 79 -2.884 5.241 3.055 1.00 0.00 C ATOM 1304 OG SER A 79 -4.206 5.689 3.384 1.00 0.00 O ATOM 0 H SER A 79 -3.024 8.140 2.461 1.00 0.00 H new ATOM 0 HA SER A 79 -0.972 6.068 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.956 4.356 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.374 4.939 3.970 1.00 0.00 H new ATOM 0 HG SER A 79 -4.168 6.268 4.174 1.00 0.00 H new ATOM 1310 N ARG A 80 -1.221 6.111 -0.023 1.00 0.00 N ATOM 1311 CA ARG A 80 -1.309 5.999 -1.492 1.00 0.00 C ATOM 1312 C ARG A 80 -1.046 4.557 -1.966 1.00 0.00 C ATOM 1313 O ARG A 80 -1.164 4.229 -3.144 1.00 0.00 O ATOM 1314 CB ARG A 80 -0.411 7.000 -2.287 1.00 0.00 C ATOM 1315 CG ARG A 80 -0.648 8.506 -2.025 1.00 0.00 C ATOM 1316 CD ARG A 80 0.010 9.091 -0.759 1.00 0.00 C ATOM 1317 NE ARG A 80 1.513 8.957 -0.855 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.297 8.258 0.027 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.754 7.590 1.084 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.649 8.221 -0.170 1.00 0.00 N ATOM 0 H ARG A 80 -0.264 6.038 0.322 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.337 6.279 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.631 6.775 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.554 6.813 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.286 9.065 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.723 8.677 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.264 10.140 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.355 8.570 0.126 1.00 0.00 H new ATOM 0 HE ARG A 80 1.979 9.421 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.745 7.603 1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.357 7.077 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.062 8.709 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.245 7.705 0.478 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.747 3.640 -1.005 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.597 2.195 -1.184 1.00 0.00 C ATOM 1336 C VAL A 81 -1.936 1.546 -0.810 1.00 0.00 C ATOM 1337 O VAL A 81 -2.519 1.884 0.221 1.00 0.00 O ATOM 1338 CB VAL A 81 0.571 1.662 -0.336 1.00 0.00 C ATOM 1339 CG1 VAL A 81 0.437 0.205 0.106 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.860 1.711 -1.163 1.00 0.00 C ATOM 0 H VAL A 81 -0.599 3.920 -0.035 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.353 1.950 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 81 0.577 2.297 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.308 -0.077 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.464 0.089 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.371 -0.437 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.690 1.334 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.744 1.094 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.064 2.740 -1.459 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.472 0.593 -1.628 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.749 -0.087 -1.364 1.00 0.00 C ATOM 1352 C ARG A 82 -3.575 -1.493 -0.788 1.00 0.00 C ATOM 1353 O ARG A 82 -2.556 -2.134 -1.017 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.659 -0.144 -2.624 1.00 0.00 C ATOM 1355 CG ARG A 82 -4.252 -1.112 -3.752 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.415 -1.405 -4.718 1.00 0.00 C ATOM 1357 NE ARG A 82 -6.477 -2.187 -3.990 1.00 0.00 N ATOM 1358 CZ ARG A 82 -7.702 -2.469 -4.533 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.005 -2.099 -5.811 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -8.630 -3.139 -3.786 1.00 0.00 N ATOM 0 H ARG A 82 -2.019 0.284 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.240 0.523 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.666 -0.409 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.713 0.860 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.418 -0.686 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.900 -2.047 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.830 -0.472 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.056 -1.970 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.274 -2.522 -3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.314 -1.605 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.922 -2.316 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.407 -3.425 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.545 -3.353 -4.182 1.00 0.00 H new ATOM 1374 N THR A 83 -4.592 -2.019 -0.047 1.00 0.00 N ATOM 1375 CA THR A 83 -4.627 -3.371 0.544 1.00 0.00 C ATOM 1376 C THR A 83 -5.695 -4.199 -0.154 1.00 0.00 C ATOM 1377 O THR A 83 -6.863 -3.823 -0.240 1.00 0.00 O ATOM 1378 CB THR A 83 -4.749 -3.440 2.087 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.248 -4.673 2.607 1.00 0.00 O ATOM 1380 CG2 THR A 83 -6.170 -3.258 2.663 1.00 0.00 C ATOM 0 H THR A 83 -5.437 -1.485 0.157 1.00 0.00 H new ATOM 0 HA THR A 83 -3.640 -3.797 0.366 1.00 0.00 H new ATOM 0 HB THR A 83 -4.150 -2.586 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.041 -4.566 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.133 -3.325 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.558 -2.282 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.823 -4.039 2.273 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.315 -5.365 -0.705 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.240 -6.215 -1.413 1.00 0.00 C ATOM 1390 C GLU A 84 -5.873 -7.639 -1.146 1.00 0.00 C ATOM 1391 O GLU A 84 -4.756 -7.950 -0.720 1.00 0.00 O ATOM 1392 CB GLU A 84 -6.290 -5.929 -2.942 1.00 0.00 C ATOM 1393 CG GLU A 84 -4.985 -6.193 -3.723 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.299 -6.054 -5.213 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -5.606 -4.915 -5.653 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.247 -7.090 -5.929 1.00 0.00 O ATOM 0 H GLU A 84 -4.362 -5.727 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.244 -6.004 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.081 -6.538 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.572 -4.886 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.212 -5.484 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.603 -7.190 -3.504 1.00 0.00 H new ATOM 1403 N THR A 85 -6.852 -8.534 -1.428 1.00 0.00 N ATOM 1404 CA THR A 85 -6.816 -9.980 -1.364 1.00 0.00 C ATOM 1405 C THR A 85 -6.155 -10.520 -2.636 1.00 0.00 C ATOM 1406 O THR A 85 -6.703 -10.436 -3.735 1.00 0.00 O ATOM 1407 CB THR A 85 -8.258 -10.491 -1.204 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.198 -9.565 -1.764 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.553 -10.576 0.303 1.00 0.00 C ATOM 0 H THR A 85 -7.769 -8.208 -1.734 1.00 0.00 H new ATOM 0 HA THR A 85 -6.230 -10.327 -0.513 1.00 0.00 H new ATOM 0 HB THR A 85 -8.352 -11.452 -1.709 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.107 -9.913 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.571 -10.936 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.851 -11.264 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.447 -9.588 0.751 1.00 0.00 H new ATOM 1417 N ARG A 86 -4.932 -11.095 -2.506 1.00 0.00 N ATOM 1418 CA ARG A 86 -4.158 -11.607 -3.621 1.00 0.00 C ATOM 1419 C ARG A 86 -3.788 -13.033 -3.279 1.00 0.00 C ATOM 1420 O ARG A 86 -3.288 -13.286 -2.183 1.00 0.00 O ATOM 1421 CB ARG A 86 -2.890 -10.744 -3.802 1.00 0.00 C ATOM 1422 CG ARG A 86 -1.834 -11.245 -4.805 1.00 0.00 C ATOM 1423 CD ARG A 86 -2.334 -11.288 -6.258 1.00 0.00 C ATOM 1424 NE ARG A 86 -1.174 -11.671 -7.136 1.00 0.00 N ATOM 1425 CZ ARG A 86 -1.196 -11.557 -8.502 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -2.299 -11.081 -9.147 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -0.095 -11.920 -9.223 1.00 0.00 N ATOM 0 H ARG A 86 -4.467 -11.208 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.723 -11.574 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.202 -9.746 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.410 -10.641 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.958 -10.598 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.512 -12.244 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.145 -12.009 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.732 -10.317 -6.553 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.330 -12.033 -6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.122 -10.804 -8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.301 -11.002 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.734 -12.272 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.102 -11.839 -10.240 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.017 -13.992 -4.222 1.00 0.00 N ATOM 1442 CA ARG A 87 -3.740 -15.418 -4.080 1.00 0.00 C ATOM 1443 C ARG A 87 -2.318 -15.738 -4.540 1.00 0.00 C ATOM 1444 O ARG A 87 -1.988 -15.610 -5.718 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.791 -16.300 -4.794 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.721 -17.790 -4.389 1.00 0.00 C ATOM 1447 CD ARG A 87 -5.662 -18.707 -5.184 1.00 0.00 C ATOM 1448 NE ARG A 87 -5.193 -18.752 -6.614 1.00 0.00 N ATOM 1449 CZ ARG A 87 -5.656 -19.662 -7.527 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -6.573 -20.608 -7.170 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -5.190 -19.623 -8.810 1.00 0.00 N ATOM 0 H ARG A 87 -4.416 -13.764 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.815 -15.661 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.787 -15.917 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.652 -16.217 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.697 -18.141 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.958 -17.878 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.665 -19.709 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.685 -18.335 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.496 -18.072 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.923 -20.644 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.909 -21.279 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.503 -18.920 -9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.529 -20.297 -9.497 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.426 -16.110 -3.587 1.00 0.00 N ATOM 1466 CA ILE A 88 0.007 -16.288 -3.806 1.00 0.00 C ATOM 1467 C ILE A 88 0.434 -17.568 -3.121 1.00 0.00 C ATOM 1468 O ILE A 88 0.299 -17.714 -1.909 1.00 0.00 O ATOM 1469 CB ILE A 88 0.806 -15.059 -3.326 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.119 -14.347 -2.128 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.937 -14.130 -4.546 1.00 0.00 C ATOM 1472 CD1 ILE A 88 0.792 -13.060 -1.632 1.00 0.00 C ATOM 0 H ILE A 88 -1.705 -16.296 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 88 0.218 -16.373 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 88 1.786 -15.356 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.907 -14.111 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.066 -15.049 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.497 -13.238 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.463 -14.652 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.056 -13.842 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.225 -12.652 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.809 -13.283 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.821 -12.330 -2.441 1.00 0.00 H new ATOM 1484 N GLY A 89 0.900 -18.584 -3.916 1.00 0.00 N ATOM 1485 CA GLY A 89 1.265 -19.951 -3.419 1.00 0.00 C ATOM 1486 C GLY A 89 0.057 -20.804 -3.087 1.00 0.00 C ATOM 1487 O GLY A 89 0.131 -21.741 -2.301 1.00 0.00 O ATOM 0 H GLY A 89 1.033 -18.476 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.864 -20.458 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.889 -19.854 -2.531 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.108 -20.434 -3.678 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.436 -21.027 -3.419 1.00 0.00 C ATOM 1493 C GLY A 90 -3.187 -20.445 -2.229 1.00 0.00 C ATOM 1494 O GLY A 90 -4.164 -21.042 -1.785 1.00 0.00 O ATOM 0 H GLY A 90 -1.145 -19.687 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.051 -20.905 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.313 -22.098 -3.261 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.774 -19.281 -1.657 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.410 -18.713 -0.478 1.00 0.00 C ATOM 1500 C ALA A 91 -3.540 -17.204 -0.637 1.00 0.00 C ATOM 1501 O ALA A 91 -2.630 -16.529 -1.113 1.00 0.00 O ATOM 1502 CB ALA A 91 -2.580 -19.058 0.778 1.00 0.00 C ATOM 0 H ALA A 91 -1.994 -18.728 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.408 -19.136 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.059 -18.631 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.518 -20.141 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.576 -18.646 0.675 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.710 -16.632 -0.248 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.081 -15.237 -0.304 1.00 0.00 C ATOM 1510 C ASP A 92 -4.786 -14.464 0.997 1.00 0.00 C ATOM 1511 O ASP A 92 -5.294 -14.807 2.064 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.560 -15.118 -0.783 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.622 -15.697 0.169 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.640 -16.942 0.364 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.432 -14.893 0.701 1.00 0.00 O ATOM 0 H ASP A 92 -5.462 -17.201 0.141 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.443 -14.743 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.784 -14.064 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.651 -15.619 -1.747 1.00 0.00 H new ATOM 1520 N PHE A 93 -3.940 -13.400 0.943 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.552 -12.590 2.098 1.00 0.00 C ATOM 1522 C PHE A 93 -3.929 -11.160 1.784 1.00 0.00 C ATOM 1523 O PHE A 93 -4.326 -10.850 0.659 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.020 -12.628 2.425 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.527 -14.049 2.530 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.076 -14.692 1.396 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.497 -14.731 3.733 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -0.611 -15.987 1.443 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.032 -16.035 3.790 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.595 -16.666 2.641 1.00 0.00 C ATOM 0 H PHE A 93 -3.509 -13.087 0.073 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.064 -12.997 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.465 -12.103 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.831 -12.103 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.088 -14.169 0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.838 -14.244 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.260 -16.469 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.011 -16.559 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.243 -17.686 2.682 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.744 -10.226 2.760 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.939 -8.804 2.558 1.00 0.00 C ATOM 1542 C LEU A 94 -2.543 -8.273 2.290 1.00 0.00 C ATOM 1543 O LEU A 94 -1.679 -8.296 3.160 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.609 -8.151 3.790 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.887 -7.383 3.408 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.008 -8.391 3.124 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.328 -6.460 4.562 1.00 0.00 C ATOM 0 H LEU A 94 -3.453 -10.465 3.708 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.614 -8.577 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.853 -8.921 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.905 -7.470 4.268 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.684 -6.776 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.918 -7.856 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.711 -9.043 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.192 -8.991 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.233 -5.925 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.527 -7.059 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.536 -5.743 4.778 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.277 -7.845 1.047 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.949 -7.422 0.607 1.00 0.00 C ATOM 1561 C VAL A 95 -1.059 -5.953 0.257 1.00 0.00 C ATOM 1562 O VAL A 95 -2.115 -5.491 -0.183 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.411 -8.240 -0.581 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -0.060 -9.672 -0.102 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.423 -8.305 -1.755 1.00 0.00 C ATOM 0 H VAL A 95 -2.987 -7.784 0.317 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.229 -7.592 1.407 1.00 0.00 H new ATOM 0 HB VAL A 95 0.483 -7.740 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.321 -10.253 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.700 -9.619 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.954 -10.152 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.999 -8.892 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.347 -8.772 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.636 -7.296 -2.108 1.00 0.00 H new ATOM 1575 N TRP A 96 0.049 -5.186 0.412 1.00 0.00 N ATOM 1576 CA TRP A 96 0.004 -3.745 0.059 1.00 0.00 C ATOM 1577 C TRP A 96 0.670 -3.503 -1.307 1.00 0.00 C ATOM 1578 O TRP A 96 1.703 -4.085 -1.608 1.00 0.00 O ATOM 1579 CB TRP A 96 0.846 -3.025 1.128 1.00 0.00 C ATOM 1580 CG TRP A 96 0.091 -2.620 2.376 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.221 -2.312 2.603 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.787 -2.368 3.590 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.387 -1.908 3.912 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.141 -1.918 4.524 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.101 -2.503 3.888 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.259 -1.565 5.787 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.493 -2.162 5.150 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.610 -1.669 6.077 1.00 0.00 C ATOM 0 H TRP A 96 0.946 -5.521 0.763 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.026 -3.392 0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.671 -3.676 1.417 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.285 -2.132 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.010 -2.375 1.868 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.270 -1.648 4.352 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.809 -2.865 3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.450 -1.220 6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.530 -2.284 5.427 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.973 -1.358 7.046 1.00 0.00 H new ATOM 1599 N ARG A 97 0.142 -2.627 -2.205 1.00 0.00 N ATOM 1600 CA ARG A 97 0.794 -2.374 -3.491 1.00 0.00 C ATOM 1601 C ARG A 97 0.983 -0.890 -3.707 1.00 0.00 C ATOM 1602 O ARG A 97 0.143 -0.134 -3.226 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.106 -2.780 -4.685 1.00 0.00 C ATOM 1604 CG ARG A 97 -0.958 -4.036 -4.591 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.194 -3.963 -5.511 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.740 -3.808 -6.938 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.586 -3.540 -7.980 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.922 -3.362 -7.775 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -2.079 -3.443 -9.244 1.00 0.00 N ATOM 0 H ARG A 97 -0.718 -2.100 -2.054 1.00 0.00 H new ATOM 0 HA ARG A 97 1.725 -2.939 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.777 -1.945 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.539 -2.888 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.356 -4.904 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.281 -4.179 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.796 -4.866 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.826 -3.123 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.745 -3.908 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.307 -3.428 -6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.537 -3.163 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.080 -3.570 -9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.700 -3.244 -10.029 1.00 0.00 H new ATOM 1623 N TRP A 98 2.006 -0.444 -4.490 1.00 0.00 N ATOM 1624 CA TRP A 98 2.187 0.971 -4.857 1.00 0.00 C ATOM 1625 C TRP A 98 1.460 1.327 -6.170 1.00 0.00 C ATOM 1626 O TRP A 98 1.908 0.885 -7.217 1.00 0.00 O ATOM 1627 CB TRP A 98 3.723 1.300 -4.926 1.00 0.00 C ATOM 1628 CG TRP A 98 3.967 2.775 -4.670 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.496 3.797 -5.415 1.00 0.00 C ATOM 1630 CD2 TRP A 98 4.032 3.280 -3.344 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.932 4.749 -4.612 1.00 0.00 N ATOM 1632 CE2 TRP A 98 3.274 4.450 -3.320 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.617 2.770 -2.242 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 3.065 5.125 -2.165 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 4.459 3.486 -1.091 1.00 0.00 C ATOM 1636 CH2 TRP A 98 3.673 4.628 -1.040 1.00 0.00 C ATOM 0 H TRP A 98 2.720 -1.061 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 98 1.730 1.592 -4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 98 4.261 0.704 -4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 98 4.115 1.026 -5.905 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.556 3.855 -6.492 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.361 5.537 -4.919 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.178 1.848 -2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.449 6.012 -2.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.960 3.154 -0.194 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.537 5.136 -0.096 1.00 0.00 H new ATOM 1647 N ILE A 99 0.326 2.100 -6.168 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.443 2.407 -7.387 1.00 0.00 C ATOM 1649 C ILE A 99 -0.495 3.916 -7.638 1.00 0.00 C ATOM 1650 O ILE A 99 -1.163 4.668 -6.934 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.820 1.712 -7.427 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.873 2.183 -6.389 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -1.560 0.196 -7.247 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -4.279 1.668 -6.728 1.00 0.00 C ATOM 0 H ILE A 99 -0.064 2.516 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 99 0.093 1.974 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.270 1.977 -8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.587 1.833 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.884 3.272 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.508 -0.341 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.922 -0.162 -8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.066 0.023 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.986 2.020 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.576 2.040 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.274 0.578 -6.739 1.00 0.00 H new ATOM 1666 N GLN A 100 0.278 4.411 -8.658 1.00 0.00 N ATOM 1667 CA GLN A 100 0.466 5.833 -8.983 1.00 0.00 C ATOM 1668 C GLN A 100 -0.065 6.239 -10.359 1.00 0.00 C ATOM 1669 O GLN A 100 -0.164 5.376 -11.228 1.00 0.00 O ATOM 1670 CB GLN A 100 1.946 6.302 -8.799 1.00 0.00 C ATOM 1671 CG GLN A 100 2.209 6.099 -7.293 1.00 0.00 C ATOM 1672 CD GLN A 100 1.504 7.042 -6.304 1.00 0.00 C ATOM 1673 OE1 GLN A 100 0.954 6.572 -5.311 1.00 0.00 O ATOM 1674 NE2 GLN A 100 1.615 8.369 -6.507 1.00 0.00 N ATOM 0 H GLN A 100 0.796 3.797 -9.286 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.149 6.357 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.631 5.713 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.075 7.344 -9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.927 5.077 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.283 6.183 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.079 8.720 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.235 9.023 -5.823 1.00 0.00 H new