USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-0.24) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.146 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 52 ASN : amide:sc= -2.52 K(o=-2.5,f=-8.1!) USER MOD Single : A 53 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.076) USER MOD Single : A 54 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.04) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 7:sc= 0.0754 USER MOD Single : A 70 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-0.61) USER MOD Single : A 72 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.9) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.71) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.886 K(o=-0.89,f=0) USER MOD Single : A 91 SER OG : rot -62:sc= 0.112 USER MOD Single : A 92 SER OG : rot 15:sc= 0.271 USER MOD Single : A 93 HIS : no HE2:sc= -0.0877 X(o=-0.088,f=-0.048) USER MOD Single : A 94 TYR OH : rot 150:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0227) USER MOD Single : A 102 ASN : amide:sc= -1.75! C(o=-1.7!,f=-12!) USER MOD Single : A 103 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.49) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -169:sc= -0.0994 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.564 -8.785 -4.719 1.00 0.00 N ATOM 287 CA ASP A 23 2.134 -9.752 -3.789 1.00 0.00 C ATOM 288 C ASP A 23 2.563 -9.072 -2.492 1.00 0.00 C ATOM 289 O ASP A 23 3.473 -8.244 -2.487 1.00 0.00 O ATOM 290 CB ASP A 23 3.330 -10.462 -4.426 1.00 0.00 C ATOM 291 CG ASP A 23 2.920 -11.684 -5.224 1.00 0.00 C ATOM 292 OD1 ASP A 23 2.781 -12.768 -4.619 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.739 -11.558 -6.453 1.00 0.00 O ATOM 0 HA ASP A 23 1.366 -10.489 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.857 -9.766 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.030 -10.760 -3.645 1.00 0.00 H new ATOM 298 N GLU A 24 1.899 -9.427 -1.396 1.00 0.00 N ATOM 299 CA GLU A 24 2.211 -8.848 -0.095 1.00 0.00 C ATOM 300 C GLU A 24 2.393 -9.940 0.956 1.00 0.00 C ATOM 301 O GLU A 24 1.984 -9.784 2.108 1.00 0.00 O ATOM 302 CB GLU A 24 1.103 -7.887 0.340 1.00 0.00 C ATOM 303 CG GLU A 24 1.547 -6.879 1.387 1.00 0.00 C ATOM 304 CD GLU A 24 0.381 -6.142 2.018 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.480 -6.807 2.631 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.332 -4.900 1.899 1.00 0.00 O ATOM 0 H GLU A 24 1.143 -10.112 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 24 3.146 -8.295 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.735 -7.351 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.267 -8.465 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.111 -7.393 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.223 -6.157 0.928 1.00 0.00 H new ATOM 313 N THR A 25 3.010 -11.046 0.552 1.00 0.00 N ATOM 314 CA THR A 25 3.245 -12.164 1.456 1.00 0.00 C ATOM 315 C THR A 25 4.731 -12.330 1.750 1.00 0.00 C ATOM 316 O THR A 25 5.112 -12.949 2.744 1.00 0.00 O ATOM 317 CB THR A 25 2.698 -13.481 0.874 1.00 0.00 C ATOM 318 OG1 THR A 25 3.298 -13.741 -0.399 1.00 0.00 O ATOM 319 CG2 THR A 25 1.185 -13.420 0.725 1.00 0.00 C ATOM 0 H THR A 25 3.356 -11.191 -0.396 1.00 0.00 H new ATOM 0 HA THR A 25 2.717 -11.938 2.383 1.00 0.00 H new ATOM 0 HB THR A 25 2.947 -14.288 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.946 -14.581 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.822 -14.361 0.312 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.730 -13.252 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.918 -12.603 0.055 1.00 0.00 H new ATOM 327 N ARG A 26 5.568 -11.773 0.880 1.00 0.00 N ATOM 328 CA ARG A 26 7.013 -11.860 1.047 1.00 0.00 C ATOM 329 C ARG A 26 7.647 -10.472 1.035 1.00 0.00 C ATOM 330 O ARG A 26 7.044 -9.507 0.565 1.00 0.00 O ATOM 331 CB ARG A 26 7.625 -12.721 -0.060 1.00 0.00 C ATOM 332 CG ARG A 26 7.361 -12.191 -1.460 1.00 0.00 C ATOM 333 CD ARG A 26 8.061 -13.033 -2.515 1.00 0.00 C ATOM 334 NE ARG A 26 9.474 -12.686 -2.644 1.00 0.00 N ATOM 335 CZ ARG A 26 10.436 -13.241 -1.914 1.00 0.00 C ATOM 336 NH1 ARG A 26 10.138 -14.163 -1.010 1.00 0.00 N ATOM 337 NH2 ARG A 26 11.699 -12.872 -2.089 1.00 0.00 N ATOM 0 H ARG A 26 5.269 -11.257 0.052 1.00 0.00 H new ATOM 0 HA ARG A 26 7.214 -12.324 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.702 -12.788 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.228 -13.733 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.288 -12.184 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.704 -11.159 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.969 -14.088 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.565 -12.896 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 26 9.737 -11.980 -3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.168 -14.448 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.878 -14.587 -0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.931 -12.162 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.437 -13.298 -1.529 1.00 0.00 H new ATOM 351 N VAL A 27 8.867 -10.379 1.555 1.00 0.00 N ATOM 352 CA VAL A 27 9.582 -9.110 1.603 1.00 0.00 C ATOM 353 C VAL A 27 10.241 -8.799 0.264 1.00 0.00 C ATOM 354 O VAL A 27 10.677 -9.691 -0.464 1.00 0.00 O ATOM 355 CB VAL A 27 10.660 -9.115 2.704 1.00 0.00 C ATOM 356 CG1 VAL A 27 10.030 -9.356 4.067 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.721 -10.163 2.404 1.00 0.00 C ATOM 0 H VAL A 27 9.380 -11.168 1.949 1.00 0.00 H new ATOM 0 HA VAL A 27 8.845 -8.340 1.829 1.00 0.00 H new ATOM 0 HB VAL A 27 11.142 -8.138 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.807 -9.356 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.311 -8.565 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.520 -10.320 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.475 -10.153 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.257 -11.148 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.193 -9.940 1.447 1.00 0.00 H new ATOM 367 N PRO A 28 10.316 -7.502 -0.071 1.00 0.00 N ATOM 368 CA PRO A 28 10.921 -7.042 -1.325 1.00 0.00 C ATOM 369 C PRO A 28 12.433 -7.236 -1.344 1.00 0.00 C ATOM 370 O PRO A 28 13.174 -6.469 -0.729 1.00 0.00 O ATOM 371 CB PRO A 28 10.572 -5.552 -1.361 1.00 0.00 C ATOM 372 CG PRO A 28 10.386 -5.172 0.067 1.00 0.00 C ATOM 373 CD PRO A 28 9.817 -6.385 0.748 1.00 0.00 C ATOM 0 HA PRO A 28 10.552 -7.601 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.368 -4.970 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.666 -5.371 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.333 -4.879 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.712 -4.320 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.156 -6.462 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.728 -6.359 0.771 1.00 0.00 H new ATOM 381 N GLU A 29 12.885 -8.266 -2.053 1.00 0.00 N ATOM 382 CA GLU A 29 14.310 -8.559 -2.151 1.00 0.00 C ATOM 383 C GLU A 29 15.078 -7.354 -2.686 1.00 0.00 C ATOM 384 O GLU A 29 14.485 -6.397 -3.184 1.00 0.00 O ATOM 385 CB GLU A 29 14.543 -9.770 -3.058 1.00 0.00 C ATOM 386 CG GLU A 29 14.200 -9.513 -4.515 1.00 0.00 C ATOM 387 CD GLU A 29 15.045 -10.338 -5.467 1.00 0.00 C ATOM 388 OE1 GLU A 29 16.259 -10.478 -5.211 1.00 0.00 O ATOM 389 OE2 GLU A 29 14.493 -10.841 -6.467 1.00 0.00 O ATOM 0 H GLU A 29 12.285 -8.911 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 29 14.678 -8.787 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.588 -10.071 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.945 -10.606 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.147 -9.738 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.339 -8.455 -4.736 1.00 0.00 H new ATOM 396 N VAL A 30 16.402 -7.408 -2.579 1.00 0.00 N ATOM 397 CA VAL A 30 17.252 -6.322 -3.052 1.00 0.00 C ATOM 398 C VAL A 30 16.662 -5.663 -4.294 1.00 0.00 C ATOM 399 O VAL A 30 16.167 -6.328 -5.204 1.00 0.00 O ATOM 400 CB VAL A 30 18.673 -6.822 -3.374 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.619 -8.010 -4.323 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.512 -5.697 -3.962 1.00 0.00 C ATOM 0 H VAL A 30 16.909 -8.192 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 30 17.307 -5.589 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 30 19.143 -7.150 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.632 -8.349 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 30 18.056 -8.820 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.130 -7.713 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.513 -6.067 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.047 -5.337 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.578 -4.879 -3.244 1.00 0.00 H new ATOM 412 N PRO A 31 16.716 -4.324 -4.335 1.00 0.00 N ATOM 413 CA PRO A 31 16.193 -3.545 -5.461 1.00 0.00 C ATOM 414 C PRO A 31 17.032 -3.715 -6.723 1.00 0.00 C ATOM 415 O PRO A 31 18.117 -4.294 -6.685 1.00 0.00 O ATOM 416 CB PRO A 31 16.270 -2.101 -4.960 1.00 0.00 C ATOM 417 CG PRO A 31 17.352 -2.112 -3.936 1.00 0.00 C ATOM 418 CD PRO A 31 17.293 -3.467 -3.286 1.00 0.00 C ATOM 0 HA PRO A 31 15.188 -3.860 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.501 -1.412 -5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.321 -1.780 -4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.326 -1.942 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.203 -1.320 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.282 -3.812 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.673 -3.456 -2.390 1.00 0.00 H new ATOM 426 N SER A 32 16.522 -3.207 -7.841 1.00 0.00 N ATOM 427 CA SER A 32 17.223 -3.306 -9.115 1.00 0.00 C ATOM 428 C SER A 32 18.691 -2.923 -8.959 1.00 0.00 C ATOM 429 O SER A 32 19.582 -3.624 -9.440 1.00 0.00 O ATOM 430 CB SER A 32 16.557 -2.407 -10.159 1.00 0.00 C ATOM 431 OG SER A 32 17.392 -2.235 -11.291 1.00 0.00 O ATOM 0 H SER A 32 15.626 -2.723 -7.890 1.00 0.00 H new ATOM 0 HA SER A 32 17.170 -4.342 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.607 -2.844 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.333 -1.436 -9.718 1.00 0.00 H new ATOM 0 HG SER A 32 16.943 -1.658 -11.944 1.00 0.00 H new ATOM 437 N SER A 33 18.935 -1.805 -8.284 1.00 0.00 N ATOM 438 CA SER A 33 20.295 -1.324 -8.066 1.00 0.00 C ATOM 439 C SER A 33 20.300 -0.103 -7.152 1.00 0.00 C ATOM 440 O SER A 33 19.246 0.412 -6.778 1.00 0.00 O ATOM 441 CB SER A 33 20.956 -0.979 -9.402 1.00 0.00 C ATOM 442 OG SER A 33 22.358 -1.172 -9.343 1.00 0.00 O ATOM 0 H SER A 33 18.209 -1.215 -7.878 1.00 0.00 H new ATOM 0 HA SER A 33 20.862 -2.119 -7.583 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.533 -1.600 -10.191 1.00 0.00 H new ATOM 0 HB3 SER A 33 20.739 0.057 -9.662 1.00 0.00 H new ATOM 0 HG SER A 33 22.756 -0.946 -10.210 1.00 0.00 H new ATOM 448 N LEU A 34 21.495 0.356 -6.796 1.00 0.00 N ATOM 449 CA LEU A 34 21.639 1.518 -5.925 1.00 0.00 C ATOM 450 C LEU A 34 22.912 2.291 -6.256 1.00 0.00 C ATOM 451 O LEU A 34 24.022 1.805 -6.035 1.00 0.00 O ATOM 452 CB LEU A 34 21.660 1.082 -4.459 1.00 0.00 C ATOM 453 CG LEU A 34 22.340 2.042 -3.483 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.423 3.212 -3.160 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.744 1.312 -2.211 1.00 0.00 C ATOM 0 H LEU A 34 22.377 -0.058 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 34 20.784 2.174 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.632 0.930 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.161 0.116 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 34 23.241 2.432 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.923 3.885 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.184 3.751 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.504 2.840 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.227 2.011 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.858 0.893 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.438 0.508 -2.457 1.00 0.00 H new ATOM 467 N HIS A 35 22.744 3.499 -6.785 1.00 0.00 N ATOM 468 CA HIS A 35 23.879 4.341 -7.144 1.00 0.00 C ATOM 469 C HIS A 35 24.086 5.443 -6.109 1.00 0.00 C ATOM 470 O HIS A 35 23.130 5.930 -5.505 1.00 0.00 O ATOM 471 CB HIS A 35 23.668 4.958 -8.527 1.00 0.00 C ATOM 472 CG HIS A 35 24.572 6.117 -8.811 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.107 7.379 -9.112 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.923 6.200 -8.837 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.131 8.188 -9.313 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.245 7.497 -9.151 1.00 0.00 N ATOM 0 H HIS A 35 21.833 3.916 -6.974 1.00 0.00 H new ATOM 0 HA HIS A 35 24.771 3.715 -7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.825 4.191 -9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.632 5.286 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.618 5.396 -8.646 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.068 9.236 -9.567 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.191 7.867 -9.244 1.00 0.00 H new ATOM 485 N VAL A 36 25.342 5.832 -5.909 1.00 0.00 N ATOM 486 CA VAL A 36 25.674 6.876 -4.947 1.00 0.00 C ATOM 487 C VAL A 36 26.667 7.871 -5.538 1.00 0.00 C ATOM 488 O VAL A 36 27.542 7.500 -6.321 1.00 0.00 O ATOM 489 CB VAL A 36 26.267 6.282 -3.655 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.218 5.469 -2.912 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.488 5.432 -3.972 1.00 0.00 C ATOM 0 H VAL A 36 26.145 5.440 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 36 24.745 7.392 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 36 26.582 7.101 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.654 5.057 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.377 6.111 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.870 4.655 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.894 5.020 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.202 4.617 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.244 6.048 -4.458 1.00 0.00 H new ATOM 501 N ARG A 37 26.526 9.136 -5.157 1.00 0.00 N ATOM 502 CA ARG A 37 27.410 10.186 -5.650 1.00 0.00 C ATOM 503 C ARG A 37 27.962 11.018 -4.496 1.00 0.00 C ATOM 504 O ARG A 37 27.244 11.783 -3.852 1.00 0.00 O ATOM 505 CB ARG A 37 26.666 11.089 -6.635 1.00 0.00 C ATOM 506 CG ARG A 37 27.534 12.185 -7.231 1.00 0.00 C ATOM 507 CD ARG A 37 26.763 13.015 -8.246 1.00 0.00 C ATOM 508 NE ARG A 37 26.459 12.257 -9.456 1.00 0.00 N ATOM 509 CZ ARG A 37 26.217 12.819 -10.635 1.00 0.00 C ATOM 510 NH1 ARG A 37 26.245 14.139 -10.762 1.00 0.00 N ATOM 511 NH2 ARG A 37 25.948 12.061 -11.690 1.00 0.00 N ATOM 0 H ARG A 37 25.808 9.459 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 37 28.245 9.711 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.263 10.477 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.817 11.546 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 37 27.903 12.832 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.406 11.740 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.835 13.367 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.345 13.899 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 37 26.431 11.239 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.453 14.725 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 37 26.059 14.568 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 25.927 11.046 -11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 37 25.762 12.494 -12.595 1.00 0.00 H new ATOM 525 N PRO A 38 29.267 10.867 -4.228 1.00 0.00 N ATOM 526 CA PRO A 38 29.944 11.596 -3.151 1.00 0.00 C ATOM 527 C PRO A 38 30.078 13.084 -3.455 1.00 0.00 C ATOM 528 O PRO A 38 30.579 13.470 -4.512 1.00 0.00 O ATOM 529 CB PRO A 38 31.323 10.936 -3.088 1.00 0.00 C ATOM 530 CG PRO A 38 31.541 10.381 -4.453 1.00 0.00 C ATOM 531 CD PRO A 38 30.183 9.972 -4.955 1.00 0.00 C ATOM 0 HA PRO A 38 29.390 11.546 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.096 11.659 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.352 10.151 -2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.992 11.125 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.220 9.528 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.098 10.100 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.974 8.924 -4.741 1.00 0.00 H new ATOM 539 N LEU A 39 29.629 13.917 -2.522 1.00 0.00 N ATOM 540 CA LEU A 39 29.700 15.364 -2.689 1.00 0.00 C ATOM 541 C LEU A 39 30.573 15.995 -1.609 1.00 0.00 C ATOM 542 O LEU A 39 30.724 15.445 -0.518 1.00 0.00 O ATOM 543 CB LEU A 39 28.297 15.972 -2.647 1.00 0.00 C ATOM 544 CG LEU A 39 27.572 16.080 -3.989 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.896 14.763 -4.339 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.555 17.211 -3.956 1.00 0.00 C ATOM 0 H LEU A 39 29.212 13.614 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 39 30.150 15.571 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.684 15.374 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.368 16.970 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 39 28.309 16.303 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.385 14.859 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.646 13.975 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.171 14.509 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.049 17.273 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.822 17.019 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.065 18.153 -3.753 1.00 0.00 H new ATOM 558 N VAL A 40 31.143 17.155 -1.919 1.00 0.00 N ATOM 559 CA VAL A 40 31.998 17.863 -0.973 1.00 0.00 C ATOM 560 C VAL A 40 31.567 17.595 0.464 1.00 0.00 C ATOM 561 O VAL A 40 32.219 16.843 1.190 1.00 0.00 O ATOM 562 CB VAL A 40 31.978 19.382 -1.228 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.859 20.105 -0.220 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.421 19.689 -2.651 1.00 0.00 C ATOM 0 H VAL A 40 31.028 17.624 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 40 33.011 17.490 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 40 30.956 19.740 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.832 21.177 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.493 19.911 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.884 19.745 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.401 20.767 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.434 19.318 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.746 19.203 -3.355 1.00 0.00 H new ATOM 574 N THR A 41 30.464 18.215 0.871 1.00 0.00 N ATOM 575 CA THR A 41 29.945 18.044 2.223 1.00 0.00 C ATOM 576 C THR A 41 28.569 17.388 2.205 1.00 0.00 C ATOM 577 O THR A 41 27.768 17.581 3.119 1.00 0.00 O ATOM 578 CB THR A 41 29.850 19.392 2.962 1.00 0.00 C ATOM 579 OG1 THR A 41 29.028 20.300 2.221 1.00 0.00 O ATOM 580 CG2 THR A 41 31.230 19.998 3.163 1.00 0.00 C ATOM 0 H THR A 41 29.912 18.840 0.284 1.00 0.00 H new ATOM 0 HA THR A 41 30.645 17.397 2.751 1.00 0.00 H new ATOM 0 HB THR A 41 29.403 19.214 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.971 21.154 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.137 20.949 3.687 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.844 19.317 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.700 20.162 2.193 1.00 0.00 H new ATOM 588 N SER A 42 28.302 16.612 1.160 1.00 0.00 N ATOM 589 CA SER A 42 27.021 15.930 1.022 1.00 0.00 C ATOM 590 C SER A 42 27.175 14.642 0.219 1.00 0.00 C ATOM 591 O SER A 42 28.280 14.277 -0.185 1.00 0.00 O ATOM 592 CB SER A 42 26.001 16.847 0.345 1.00 0.00 C ATOM 593 OG SER A 42 26.616 17.649 -0.649 1.00 0.00 O ATOM 0 H SER A 42 28.956 16.440 0.396 1.00 0.00 H new ATOM 0 HA SER A 42 26.664 15.675 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.211 16.247 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.530 17.486 1.092 1.00 0.00 H new ATOM 0 HG SER A 42 25.942 18.225 -1.068 1.00 0.00 H new ATOM 599 N ILE A 43 26.059 13.957 -0.009 1.00 0.00 N ATOM 600 CA ILE A 43 26.069 12.710 -0.764 1.00 0.00 C ATOM 601 C ILE A 43 24.697 12.419 -1.362 1.00 0.00 C ATOM 602 O ILE A 43 23.713 12.264 -0.639 1.00 0.00 O ATOM 603 CB ILE A 43 26.495 11.521 0.118 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.895 11.758 0.689 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.455 10.228 -0.682 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.385 10.632 1.572 1.00 0.00 C ATOM 0 H ILE A 43 25.137 14.245 0.318 1.00 0.00 H new ATOM 0 HA ILE A 43 26.795 12.834 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 43 25.794 11.433 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.596 11.895 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.893 12.685 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.759 9.397 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.442 10.056 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.136 10.303 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.383 10.867 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.705 10.509 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.420 9.707 0.996 1.00 0.00 H new ATOM 618 N VAL A 44 24.639 12.344 -2.688 1.00 0.00 N ATOM 619 CA VAL A 44 23.389 12.068 -3.385 1.00 0.00 C ATOM 620 C VAL A 44 23.178 10.569 -3.563 1.00 0.00 C ATOM 621 O VAL A 44 23.823 9.935 -4.399 1.00 0.00 O ATOM 622 CB VAL A 44 23.354 12.748 -4.766 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.072 12.393 -5.504 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.495 14.256 -4.621 1.00 0.00 C ATOM 0 H VAL A 44 25.444 12.471 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 44 22.587 12.474 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 44 24.196 12.382 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.065 12.883 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.018 11.313 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.213 12.729 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.468 14.720 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.675 14.642 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.443 14.488 -4.136 1.00 0.00 H new ATOM 634 N VAL A 45 22.271 10.006 -2.771 1.00 0.00 N ATOM 635 CA VAL A 45 21.973 8.580 -2.842 1.00 0.00 C ATOM 636 C VAL A 45 20.730 8.320 -3.685 1.00 0.00 C ATOM 637 O VAL A 45 19.605 8.530 -3.232 1.00 0.00 O ATOM 638 CB VAL A 45 21.763 7.980 -1.439 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.442 6.497 -1.535 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.991 8.213 -0.572 1.00 0.00 C ATOM 0 H VAL A 45 21.730 10.516 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 45 22.833 8.100 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 45 20.915 8.481 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.297 6.091 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.532 6.359 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.267 5.977 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.826 7.783 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.857 7.740 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.171 9.284 -0.476 1.00 0.00 H new ATOM 650 N SER A 46 20.941 7.860 -4.914 1.00 0.00 N ATOM 651 CA SER A 46 19.837 7.574 -5.823 1.00 0.00 C ATOM 652 C SER A 46 19.649 6.069 -5.992 1.00 0.00 C ATOM 653 O SER A 46 20.592 5.348 -6.316 1.00 0.00 O ATOM 654 CB SER A 46 20.089 8.224 -7.185 1.00 0.00 C ATOM 655 OG SER A 46 19.232 7.680 -8.175 1.00 0.00 O ATOM 0 H SER A 46 21.866 7.677 -5.303 1.00 0.00 H new ATOM 0 HA SER A 46 18.926 7.991 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.930 9.300 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.128 8.074 -7.477 1.00 0.00 H new ATOM 0 HG SER A 46 19.411 8.112 -9.036 1.00 0.00 H new ATOM 661 N TRP A 47 18.426 5.604 -5.769 1.00 0.00 N ATOM 662 CA TRP A 47 18.113 4.185 -5.896 1.00 0.00 C ATOM 663 C TRP A 47 16.936 3.970 -6.842 1.00 0.00 C ATOM 664 O TRP A 47 16.247 4.918 -7.219 1.00 0.00 O ATOM 665 CB TRP A 47 17.797 3.587 -4.524 1.00 0.00 C ATOM 666 CG TRP A 47 16.571 4.172 -3.889 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.289 3.719 -4.013 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.514 5.318 -3.033 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.437 4.515 -3.286 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.164 5.502 -2.674 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.471 6.204 -2.533 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.751 6.538 -1.840 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.059 7.232 -1.705 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.709 7.391 -1.365 1.00 0.00 C ATOM 0 H TRP A 47 17.634 6.188 -5.499 1.00 0.00 H new ATOM 0 HA TRP A 47 18.986 3.681 -6.312 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.666 2.510 -4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.649 3.743 -3.863 1.00 0.00 H new ATOM 0 HD1 TRP A 47 14.989 2.861 -4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.427 4.391 -3.214 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.514 6.088 -2.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.711 6.664 -1.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.790 7.924 -1.314 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.419 8.203 -0.715 1.00 0.00 H new ATOM 685 N THR A 48 16.710 2.716 -7.222 1.00 0.00 N ATOM 686 CA THR A 48 15.617 2.377 -8.125 1.00 0.00 C ATOM 687 C THR A 48 14.780 1.231 -7.568 1.00 0.00 C ATOM 688 O THR A 48 15.263 0.387 -6.812 1.00 0.00 O ATOM 689 CB THR A 48 16.141 1.985 -9.519 1.00 0.00 C ATOM 690 OG1 THR A 48 17.052 0.885 -9.409 1.00 0.00 O ATOM 691 CG2 THR A 48 16.837 3.161 -10.186 1.00 0.00 C ATOM 0 H THR A 48 17.269 1.919 -6.918 1.00 0.00 H new ATOM 0 HA THR A 48 14.995 3.267 -8.217 1.00 0.00 H new ATOM 0 HB THR A 48 15.290 1.691 -10.133 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.379 0.641 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.199 2.860 -11.169 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.133 3.986 -10.295 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.679 3.481 -9.572 1.00 0.00 H new ATOM 699 N PRO A 49 13.495 1.196 -7.950 1.00 0.00 N ATOM 700 CA PRO A 49 12.564 0.156 -7.501 1.00 0.00 C ATOM 701 C PRO A 49 12.882 -1.207 -8.105 1.00 0.00 C ATOM 702 O PRO A 49 13.508 -1.315 -9.160 1.00 0.00 O ATOM 703 CB PRO A 49 11.206 0.658 -7.998 1.00 0.00 C ATOM 704 CG PRO A 49 11.527 1.529 -9.163 1.00 0.00 C ATOM 705 CD PRO A 49 12.851 2.168 -8.849 1.00 0.00 C ATOM 0 HA PRO A 49 12.610 0.006 -6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.560 -0.170 -8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.681 1.214 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.583 0.946 -10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.755 2.284 -9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.441 2.334 -9.750 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.725 3.138 -8.368 1.00 0.00 H new ATOM 713 N PRO A 50 12.441 -2.275 -7.424 1.00 0.00 N ATOM 714 CA PRO A 50 12.667 -3.651 -7.876 1.00 0.00 C ATOM 715 C PRO A 50 11.859 -3.991 -9.123 1.00 0.00 C ATOM 716 O PRO A 50 10.637 -3.843 -9.141 1.00 0.00 O ATOM 717 CB PRO A 50 12.199 -4.496 -6.688 1.00 0.00 C ATOM 718 CG PRO A 50 11.212 -3.636 -5.977 1.00 0.00 C ATOM 719 CD PRO A 50 11.689 -2.221 -6.159 1.00 0.00 C ATOM 0 HA PRO A 50 13.706 -3.823 -8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.744 -5.429 -7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.033 -4.762 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.212 -3.767 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.157 -3.897 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.856 -1.520 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.320 -1.900 -5.330 1.00 0.00 H new ATOM 727 N GLU A 51 12.548 -4.449 -10.163 1.00 0.00 N ATOM 728 CA GLU A 51 11.893 -4.810 -11.415 1.00 0.00 C ATOM 729 C GLU A 51 10.542 -5.468 -11.151 1.00 0.00 C ATOM 730 O GLU A 51 9.574 -5.235 -11.874 1.00 0.00 O ATOM 731 CB GLU A 51 12.782 -5.752 -12.229 1.00 0.00 C ATOM 732 CG GLU A 51 13.404 -6.866 -11.404 1.00 0.00 C ATOM 733 CD GLU A 51 13.982 -7.975 -12.262 1.00 0.00 C ATOM 734 OE1 GLU A 51 13.205 -8.631 -12.986 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.212 -8.185 -12.208 1.00 0.00 O ATOM 0 H GLU A 51 13.560 -4.579 -10.164 1.00 0.00 H new ATOM 0 HA GLU A 51 11.728 -3.896 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.191 -6.193 -13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.576 -5.172 -12.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.191 -6.451 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.650 -7.283 -10.737 1.00 0.00 H new ATOM 742 N ASN A 52 10.485 -6.293 -10.110 1.00 0.00 N ATOM 743 CA ASN A 52 9.254 -6.987 -9.751 1.00 0.00 C ATOM 744 C ASN A 52 8.297 -6.052 -9.018 1.00 0.00 C ATOM 745 O ASN A 52 8.282 -6.004 -7.788 1.00 0.00 O ATOM 746 CB ASN A 52 9.566 -8.203 -8.876 1.00 0.00 C ATOM 747 CG ASN A 52 8.376 -9.133 -8.732 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.337 -8.750 -8.194 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.524 -10.361 -9.214 1.00 0.00 N ATOM 0 H ASN A 52 11.277 -6.497 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 52 8.774 -7.323 -10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.403 -8.752 -9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.881 -7.865 -7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.758 -11.031 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.404 -10.634 -9.652 1.00 0.00 H new ATOM 756 N GLN A 53 7.500 -5.313 -9.782 1.00 0.00 N ATOM 757 CA GLN A 53 6.540 -4.379 -9.205 1.00 0.00 C ATOM 758 C GLN A 53 5.477 -5.120 -8.400 1.00 0.00 C ATOM 759 O GLN A 53 5.020 -4.637 -7.364 1.00 0.00 O ATOM 760 CB GLN A 53 5.877 -3.550 -10.306 1.00 0.00 C ATOM 761 CG GLN A 53 6.689 -2.335 -10.725 1.00 0.00 C ATOM 762 CD GLN A 53 6.675 -1.236 -9.681 1.00 0.00 C ATOM 763 OE1 GLN A 53 5.626 -0.669 -9.374 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.843 -0.929 -9.129 1.00 0.00 N ATOM 0 H GLN A 53 7.500 -5.343 -10.802 1.00 0.00 H new ATOM 0 HA GLN A 53 7.080 -3.711 -8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.712 -4.184 -11.177 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.897 -3.220 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.719 -2.638 -10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.294 -1.945 -11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.688 -1.425 -9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.896 -0.197 -8.420 1.00 0.00 H new ATOM 773 N ASN A 54 5.087 -6.295 -8.884 1.00 0.00 N ATOM 774 CA ASN A 54 4.077 -7.102 -8.210 1.00 0.00 C ATOM 775 C ASN A 54 4.239 -7.023 -6.695 1.00 0.00 C ATOM 776 O ASN A 54 3.255 -6.963 -5.957 1.00 0.00 O ATOM 777 CB ASN A 54 4.168 -8.559 -8.669 1.00 0.00 C ATOM 778 CG ASN A 54 3.840 -8.723 -10.140 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.732 -8.750 -10.987 1.00 0.00 O ATOM 780 ND2 ASN A 54 2.553 -8.833 -10.450 1.00 0.00 N ATOM 0 H ASN A 54 5.455 -6.709 -9.740 1.00 0.00 H new ATOM 0 HA ASN A 54 3.096 -6.706 -8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.174 -8.935 -8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.484 -9.167 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.271 -8.945 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.847 -8.805 -9.714 1.00 0.00 H new ATOM 787 N ILE A 55 5.487 -7.024 -6.239 1.00 0.00 N ATOM 788 CA ILE A 55 5.779 -6.951 -4.812 1.00 0.00 C ATOM 789 C ILE A 55 5.408 -5.585 -4.245 1.00 0.00 C ATOM 790 O ILE A 55 5.841 -4.551 -4.753 1.00 0.00 O ATOM 791 CB ILE A 55 7.267 -7.226 -4.527 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.653 -8.622 -5.019 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.556 -7.084 -3.040 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.147 -8.830 -5.133 1.00 0.00 C ATOM 0 H ILE A 55 6.312 -7.075 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 55 5.177 -7.719 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 55 7.867 -6.493 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.242 -9.366 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.195 -8.795 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.612 -7.281 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.314 -6.071 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.950 -7.797 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.348 -9.841 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.562 -8.110 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.610 -8.689 -4.156 1.00 0.00 H new ATOM 806 N VAL A 56 4.604 -5.588 -3.186 1.00 0.00 N ATOM 807 CA VAL A 56 4.177 -4.349 -2.546 1.00 0.00 C ATOM 808 C VAL A 56 5.337 -3.677 -1.822 1.00 0.00 C ATOM 809 O VAL A 56 5.801 -4.158 -0.788 1.00 0.00 O ATOM 810 CB VAL A 56 3.036 -4.600 -1.543 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.662 -3.312 -0.826 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.827 -5.197 -2.249 1.00 0.00 C ATOM 0 H VAL A 56 4.235 -6.435 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 56 3.817 -3.692 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 56 3.383 -5.315 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.854 -3.509 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.529 -2.931 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.334 -2.571 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.030 -5.368 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.477 -4.508 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.106 -6.144 -2.711 1.00 0.00 H new ATOM 822 N VAL A 57 5.803 -2.559 -2.371 1.00 0.00 N ATOM 823 CA VAL A 57 6.909 -1.818 -1.776 1.00 0.00 C ATOM 824 C VAL A 57 6.417 -0.539 -1.109 1.00 0.00 C ATOM 825 O VAL A 57 6.074 0.432 -1.784 1.00 0.00 O ATOM 826 CB VAL A 57 7.974 -1.459 -2.829 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.120 -0.691 -2.188 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.484 -2.714 -3.521 1.00 0.00 C ATOM 0 H VAL A 57 5.432 -2.147 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 57 7.357 -2.467 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 57 7.514 -0.819 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.863 -0.446 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.738 0.228 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.581 -1.304 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.236 -2.441 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.928 -3.382 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.654 -3.220 -4.015 1.00 0.00 H new ATOM 838 N ARG A 58 6.386 -0.544 0.219 1.00 0.00 N ATOM 839 CA ARG A 58 5.936 0.616 0.978 1.00 0.00 C ATOM 840 C ARG A 58 7.036 1.671 1.063 1.00 0.00 C ATOM 841 O ARG A 58 6.766 2.869 1.001 1.00 0.00 O ATOM 842 CB ARG A 58 5.507 0.197 2.385 1.00 0.00 C ATOM 843 CG ARG A 58 4.466 -0.910 2.400 1.00 0.00 C ATOM 844 CD ARG A 58 3.123 -0.419 1.881 1.00 0.00 C ATOM 845 NE ARG A 58 2.287 0.120 2.950 1.00 0.00 N ATOM 846 CZ ARG A 58 1.256 0.931 2.739 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.936 1.294 1.504 1.00 0.00 N ATOM 848 NH2 ARG A 58 0.543 1.380 3.763 1.00 0.00 N ATOM 0 H ARG A 58 6.667 -1.339 0.792 1.00 0.00 H new ATOM 0 HA ARG A 58 5.081 1.048 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.385 -0.134 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.108 1.066 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.811 -1.744 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.349 -1.287 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.285 0.350 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.601 -1.241 1.392 1.00 0.00 H new ATOM 0 HE ARG A 58 2.507 -0.140 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.482 0.950 0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.144 1.917 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.786 1.103 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.248 2.003 3.600 1.00 0.00 H new ATOM 862 N GLY A 59 8.276 1.214 1.206 1.00 0.00 N ATOM 863 CA GLY A 59 9.398 2.131 1.297 1.00 0.00 C ATOM 864 C GLY A 59 10.727 1.411 1.408 1.00 0.00 C ATOM 865 O GLY A 59 10.791 0.188 1.281 1.00 0.00 O ATOM 0 H GLY A 59 8.524 0.226 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.409 2.775 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.265 2.778 2.164 1.00 0.00 H new ATOM 869 N TYR A 60 11.791 2.171 1.643 1.00 0.00 N ATOM 870 CA TYR A 60 13.127 1.598 1.766 1.00 0.00 C ATOM 871 C TYR A 60 13.854 2.168 2.981 1.00 0.00 C ATOM 872 O TYR A 60 13.357 3.076 3.646 1.00 0.00 O ATOM 873 CB TYR A 60 13.939 1.868 0.499 1.00 0.00 C ATOM 874 CG TYR A 60 13.148 1.690 -0.777 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.341 2.710 -1.266 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.208 0.501 -1.495 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.615 2.551 -2.431 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.487 0.334 -2.661 1.00 0.00 C ATOM 879 CZ TYR A 60 11.692 1.361 -3.125 1.00 0.00 C ATOM 880 OH TYR A 60 10.972 1.199 -4.286 1.00 0.00 O ATOM 0 H TYR A 60 11.755 3.185 1.752 1.00 0.00 H new ATOM 0 HA TYR A 60 13.022 0.521 1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.327 2.886 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.799 1.199 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.280 3.643 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.829 -0.306 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.991 3.353 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.545 -0.596 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 60 11.138 0.305 -4.652 1.00 0.00 H new ATOM 890 N ALA A 61 15.035 1.627 3.262 1.00 0.00 N ATOM 891 CA ALA A 61 15.833 2.082 4.394 1.00 0.00 C ATOM 892 C ALA A 61 17.279 2.330 3.981 1.00 0.00 C ATOM 893 O ALA A 61 17.986 1.407 3.576 1.00 0.00 O ATOM 894 CB ALA A 61 15.771 1.066 5.525 1.00 0.00 C ATOM 0 H ALA A 61 15.460 0.874 2.722 1.00 0.00 H new ATOM 0 HA ALA A 61 15.416 3.026 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.371 1.418 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.737 0.941 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.161 0.109 5.177 1.00 0.00 H new ATOM 900 N ILE A 62 17.713 3.582 4.086 1.00 0.00 N ATOM 901 CA ILE A 62 19.076 3.950 3.723 1.00 0.00 C ATOM 902 C ILE A 62 19.986 3.960 4.947 1.00 0.00 C ATOM 903 O ILE A 62 19.597 4.421 6.019 1.00 0.00 O ATOM 904 CB ILE A 62 19.125 5.334 3.049 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.210 5.361 1.823 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.553 5.683 2.659 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.852 6.757 1.367 1.00 0.00 C ATOM 0 H ILE A 62 17.141 4.358 4.419 1.00 0.00 H new ATOM 0 HA ILE A 62 19.429 3.199 3.016 1.00 0.00 H new ATOM 0 HB ILE A 62 18.771 6.081 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.699 4.834 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.294 4.816 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.571 6.664 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.180 5.700 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.933 4.936 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.202 6.699 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.335 7.281 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.761 7.299 1.107 1.00 0.00 H new ATOM 919 N GLY A 63 21.203 3.451 4.777 1.00 0.00 N ATOM 920 CA GLY A 63 22.151 3.412 5.875 1.00 0.00 C ATOM 921 C GLY A 63 23.509 3.962 5.487 1.00 0.00 C ATOM 922 O GLY A 63 24.044 3.626 4.431 1.00 0.00 O ATOM 0 H GLY A 63 21.549 3.065 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.756 3.986 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.263 2.383 6.218 1.00 0.00 H new ATOM 926 N TYR A 64 24.068 4.810 6.343 1.00 0.00 N ATOM 927 CA TYR A 64 25.371 5.411 6.082 1.00 0.00 C ATOM 928 C TYR A 64 26.186 5.524 7.367 1.00 0.00 C ATOM 929 O TYR A 64 25.678 5.282 8.461 1.00 0.00 O ATOM 930 CB TYR A 64 25.202 6.793 5.449 1.00 0.00 C ATOM 931 CG TYR A 64 24.594 7.816 6.383 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.239 7.788 6.689 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.375 8.812 6.957 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.679 8.721 7.540 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.824 9.748 7.811 1.00 0.00 C ATOM 936 CZ TYR A 64 23.476 9.698 8.099 1.00 0.00 C ATOM 937 OH TYR A 64 22.923 10.629 8.948 1.00 0.00 O ATOM 0 H TYR A 64 23.640 5.097 7.223 1.00 0.00 H new ATOM 0 HA TYR A 64 25.908 4.764 5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.175 7.152 5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.574 6.703 4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.613 7.023 6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.430 8.855 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.624 8.686 7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.445 10.514 8.251 1.00 0.00 H new ATOM 0 HH TYR A 64 23.620 11.246 9.256 1.00 0.00 H new ATOM 947 N GLY A 65 27.455 5.896 7.226 1.00 0.00 N ATOM 948 CA GLY A 65 28.320 6.036 8.382 1.00 0.00 C ATOM 949 C GLY A 65 29.748 5.618 8.091 1.00 0.00 C ATOM 950 O GLY A 65 29.990 4.526 7.577 1.00 0.00 O ATOM 0 H GLY A 65 27.899 6.103 6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.309 7.073 8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 65 27.928 5.433 9.201 1.00 0.00 H new ATOM 954 N ILE A 66 30.696 6.489 8.419 1.00 0.00 N ATOM 955 CA ILE A 66 32.107 6.205 8.189 1.00 0.00 C ATOM 956 C ILE A 66 32.480 4.820 8.707 1.00 0.00 C ATOM 957 O ILE A 66 32.596 4.607 9.913 1.00 0.00 O ATOM 958 CB ILE A 66 33.010 7.254 8.865 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.668 8.656 8.358 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.475 6.935 8.609 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.115 9.761 9.288 1.00 0.00 C ATOM 0 H ILE A 66 30.513 7.397 8.845 1.00 0.00 H new ATOM 0 HA ILE A 66 32.265 6.242 7.111 1.00 0.00 H new ATOM 0 HB ILE A 66 32.834 7.224 9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.131 8.804 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.590 8.728 8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.101 7.685 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.709 5.951 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.666 6.940 7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.839 10.727 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 66 32.632 9.639 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.197 9.715 9.414 1.00 0.00 H new ATOM 973 N GLY A 67 32.669 3.880 7.786 1.00 0.00 N ATOM 974 CA GLY A 67 33.029 2.528 8.168 1.00 0.00 C ATOM 975 C GLY A 67 31.860 1.567 8.072 1.00 0.00 C ATOM 976 O GLY A 67 31.960 0.519 7.434 1.00 0.00 O ATOM 0 H GLY A 67 32.579 4.031 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.838 2.176 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.409 2.532 9.189 1.00 0.00 H new ATOM 980 N SER A 68 30.749 1.924 8.707 1.00 0.00 N ATOM 981 CA SER A 68 29.557 1.084 8.695 1.00 0.00 C ATOM 982 C SER A 68 28.292 1.935 8.645 1.00 0.00 C ATOM 983 O SER A 68 28.212 3.009 9.241 1.00 0.00 O ATOM 984 CB SER A 68 29.530 0.183 9.931 1.00 0.00 C ATOM 985 OG SER A 68 30.444 -0.893 9.799 1.00 0.00 O ATOM 0 H SER A 68 30.649 2.790 9.237 1.00 0.00 H new ATOM 0 HA SER A 68 29.591 0.462 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.778 0.768 10.817 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.523 -0.207 10.078 1.00 0.00 H new ATOM 0 HG SER A 68 30.982 -0.768 8.989 1.00 0.00 H new ATOM 991 N PRO A 69 27.279 1.445 7.915 1.00 0.00 N ATOM 992 CA PRO A 69 25.999 2.143 7.768 1.00 0.00 C ATOM 993 C PRO A 69 25.192 2.152 9.062 1.00 0.00 C ATOM 994 O PRO A 69 24.568 3.156 9.410 1.00 0.00 O ATOM 995 CB PRO A 69 25.274 1.333 6.691 1.00 0.00 C ATOM 996 CG PRO A 69 25.870 -0.030 6.777 1.00 0.00 C ATOM 997 CD PRO A 69 27.305 0.171 7.177 1.00 0.00 C ATOM 0 HA PRO A 69 26.135 3.193 7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.199 1.307 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.421 1.768 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.343 -0.641 7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.800 -0.548 5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.667 -0.647 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.961 0.224 6.308 1.00 0.00 H new ATOM 1005 N HIS A 70 25.209 1.029 9.772 1.00 0.00 N ATOM 1006 CA HIS A 70 24.479 0.908 11.030 1.00 0.00 C ATOM 1007 C HIS A 70 24.526 2.216 11.813 1.00 0.00 C ATOM 1008 O HIS A 70 23.558 2.590 12.474 1.00 0.00 O ATOM 1009 CB HIS A 70 25.060 -0.227 11.874 1.00 0.00 C ATOM 1010 CG HIS A 70 26.157 0.212 12.794 1.00 0.00 C ATOM 1011 ND1 HIS A 70 26.060 0.143 14.167 1.00 0.00 N ATOM 1012 CD2 HIS A 70 27.381 0.727 12.530 1.00 0.00 C ATOM 1013 CE1 HIS A 70 27.176 0.598 14.709 1.00 0.00 C ATOM 1014 NE2 HIS A 70 27.994 0.958 13.736 1.00 0.00 N ATOM 0 H HIS A 70 25.720 0.190 9.498 1.00 0.00 H new ATOM 0 HA HIS A 70 23.438 0.682 10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 70 24.261 -0.676 12.463 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.442 -1.003 11.211 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.797 0.920 11.552 1.00 0.00 H new ATOM 0 HE1 HIS A 70 27.384 0.664 15.767 1.00 0.00 H new ATOM 0 HE2 HIS A 70 28.929 1.345 13.861 1.00 0.00 H new ATOM 1023 N ALA A 71 25.658 2.907 11.734 1.00 0.00 N ATOM 1024 CA ALA A 71 25.831 4.174 12.434 1.00 0.00 C ATOM 1025 C ALA A 71 24.558 5.011 12.376 1.00 0.00 C ATOM 1026 O ALA A 71 24.076 5.496 13.400 1.00 0.00 O ATOM 1027 CB ALA A 71 27.001 4.948 11.845 1.00 0.00 C ATOM 0 H ALA A 71 26.470 2.611 11.192 1.00 0.00 H new ATOM 0 HA ALA A 71 26.044 3.956 13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.118 5.892 12.378 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.913 4.360 11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.811 5.148 10.790 1.00 0.00 H new ATOM 1033 N GLN A 72 24.019 5.178 11.172 1.00 0.00 N ATOM 1034 CA GLN A 72 22.802 5.958 10.982 1.00 0.00 C ATOM 1035 C GLN A 72 21.913 5.328 9.915 1.00 0.00 C ATOM 1036 O GLN A 72 22.397 4.651 9.008 1.00 0.00 O ATOM 1037 CB GLN A 72 23.149 7.396 10.590 1.00 0.00 C ATOM 1038 CG GLN A 72 23.834 8.180 11.698 1.00 0.00 C ATOM 1039 CD GLN A 72 25.340 8.005 11.691 1.00 0.00 C ATOM 1040 OE1 GLN A 72 25.963 7.925 10.632 1.00 0.00 O ATOM 1041 NE2 GLN A 72 25.934 7.944 12.877 1.00 0.00 N ATOM 0 H GLN A 72 24.406 4.784 10.314 1.00 0.00 H new ATOM 0 HA GLN A 72 22.255 5.968 11.925 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.798 7.379 9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.236 7.915 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.594 9.238 11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.439 7.860 12.662 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.379 8.015 13.730 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.946 7.827 12.935 1.00 0.00 H new ATOM 1050 N THR A 73 20.608 5.556 10.030 1.00 0.00 N ATOM 1051 CA THR A 73 19.650 5.010 9.076 1.00 0.00 C ATOM 1052 C THR A 73 18.525 6.000 8.799 1.00 0.00 C ATOM 1053 O THR A 73 17.880 6.496 9.723 1.00 0.00 O ATOM 1054 CB THR A 73 19.043 3.689 9.584 1.00 0.00 C ATOM 1055 OG1 THR A 73 20.083 2.738 9.842 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.066 3.116 8.568 1.00 0.00 C ATOM 0 H THR A 73 20.190 6.115 10.774 1.00 0.00 H new ATOM 0 HA THR A 73 20.197 4.819 8.153 1.00 0.00 H new ATOM 0 HB THR A 73 18.503 3.895 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.688 1.902 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.650 2.183 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.260 3.829 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.587 2.925 7.630 1.00 0.00 H new ATOM 1064 N ILE A 74 18.293 6.283 7.521 1.00 0.00 N ATOM 1065 CA ILE A 74 17.244 7.212 7.123 1.00 0.00 C ATOM 1066 C ILE A 74 16.183 6.515 6.278 1.00 0.00 C ATOM 1067 O ILE A 74 16.476 5.986 5.206 1.00 0.00 O ATOM 1068 CB ILE A 74 17.816 8.401 6.330 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.844 9.158 7.173 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.696 9.332 5.889 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.856 9.923 6.349 1.00 0.00 C ATOM 0 H ILE A 74 18.818 5.882 6.744 1.00 0.00 H new ATOM 0 HA ILE A 74 16.788 7.584 8.040 1.00 0.00 H new ATOM 0 HB ILE A 74 18.315 8.018 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.322 9.854 7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.370 8.449 7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.117 10.168 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.997 8.786 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.171 9.710 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.553 10.435 7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.405 9.230 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.341 10.656 5.729 1.00 0.00 H new ATOM 1083 N LYS A 75 14.948 6.519 6.768 1.00 0.00 N ATOM 1084 CA LYS A 75 13.841 5.890 6.058 1.00 0.00 C ATOM 1085 C LYS A 75 12.976 6.936 5.363 1.00 0.00 C ATOM 1086 O LYS A 75 12.602 7.945 5.961 1.00 0.00 O ATOM 1087 CB LYS A 75 12.987 5.069 7.027 1.00 0.00 C ATOM 1088 CG LYS A 75 13.491 3.650 7.230 1.00 0.00 C ATOM 1089 CD LYS A 75 12.433 2.769 7.872 1.00 0.00 C ATOM 1090 CE LYS A 75 13.060 1.629 8.660 1.00 0.00 C ATOM 1091 NZ LYS A 75 12.030 0.747 9.275 1.00 0.00 N ATOM 0 H LYS A 75 14.689 6.951 7.655 1.00 0.00 H new ATOM 0 HA LYS A 75 14.258 5.227 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.957 5.576 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.963 5.032 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.785 3.226 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.382 3.666 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.810 3.370 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.779 2.363 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.696 1.039 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.702 2.037 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.498 -0.017 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.438 1.304 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.433 0.337 8.528 1.00 0.00 H new ATOM 1105 N VAL A 76 12.659 6.689 4.095 1.00 0.00 N ATOM 1106 CA VAL A 76 11.835 7.608 3.320 1.00 0.00 C ATOM 1107 C VAL A 76 10.803 6.855 2.489 1.00 0.00 C ATOM 1108 O VAL A 76 11.032 5.716 2.080 1.00 0.00 O ATOM 1109 CB VAL A 76 12.695 8.478 2.384 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.629 9.368 3.190 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.480 7.605 1.417 1.00 0.00 C ATOM 0 H VAL A 76 12.961 5.860 3.583 1.00 0.00 H new ATOM 0 HA VAL A 76 11.322 8.252 4.034 1.00 0.00 H new ATOM 0 HB VAL A 76 12.033 9.119 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.228 9.975 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.042 10.019 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.287 8.748 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.082 8.236 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.133 6.937 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.788 7.015 0.815 1.00 0.00 H new ATOM 1121 N ASP A 77 9.667 7.497 2.243 1.00 0.00 N ATOM 1122 CA ASP A 77 8.598 6.888 1.459 1.00 0.00 C ATOM 1123 C ASP A 77 9.125 6.389 0.117 1.00 0.00 C ATOM 1124 O ASP A 77 10.197 6.798 -0.331 1.00 0.00 O ATOM 1125 CB ASP A 77 7.465 7.891 1.236 1.00 0.00 C ATOM 1126 CG ASP A 77 7.940 9.157 0.550 1.00 0.00 C ATOM 1127 OD1 ASP A 77 8.647 9.048 -0.474 1.00 0.00 O ATOM 1128 OD2 ASP A 77 7.603 10.256 1.037 1.00 0.00 O ATOM 0 H ASP A 77 9.462 8.439 2.575 1.00 0.00 H new ATOM 0 HA ASP A 77 8.212 6.035 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.685 7.426 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.016 8.148 2.196 1.00 0.00 H new ATOM 1133 N TYR A 78 8.366 5.504 -0.519 1.00 0.00 N ATOM 1134 CA TYR A 78 8.758 4.947 -1.808 1.00 0.00 C ATOM 1135 C TYR A 78 8.933 6.050 -2.847 1.00 0.00 C ATOM 1136 O TYR A 78 9.916 6.071 -3.589 1.00 0.00 O ATOM 1137 CB TYR A 78 7.715 3.938 -2.290 1.00 0.00 C ATOM 1138 CG TYR A 78 6.339 4.535 -2.483 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.433 4.597 -1.431 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.946 5.037 -3.717 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.175 5.141 -1.604 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.690 5.584 -3.898 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.808 5.633 -2.839 1.00 0.00 C ATOM 1144 OH TYR A 78 2.556 6.177 -3.014 1.00 0.00 O ATOM 0 H TYR A 78 7.475 5.157 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 78 9.713 4.438 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.049 3.505 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.650 3.123 -1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.717 4.214 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.634 4.999 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.482 5.181 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.401 5.971 -4.864 1.00 0.00 H new ATOM 0 HH TYR A 78 2.457 6.478 -3.941 1.00 0.00 H new ATOM 1154 N LYS A 79 7.973 6.966 -2.895 1.00 0.00 N ATOM 1155 CA LYS A 79 8.019 8.075 -3.841 1.00 0.00 C ATOM 1156 C LYS A 79 9.435 8.628 -3.963 1.00 0.00 C ATOM 1157 O LYS A 79 9.916 8.887 -5.066 1.00 0.00 O ATOM 1158 CB LYS A 79 7.062 9.186 -3.403 1.00 0.00 C ATOM 1159 CG LYS A 79 5.607 8.903 -3.735 1.00 0.00 C ATOM 1160 CD LYS A 79 4.667 9.724 -2.868 1.00 0.00 C ATOM 1161 CE LYS A 79 4.516 9.118 -1.481 1.00 0.00 C ATOM 1162 NZ LYS A 79 3.548 9.880 -0.646 1.00 0.00 N ATOM 0 H LYS A 79 7.152 6.963 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 79 7.709 7.701 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.158 9.333 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.360 10.119 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.423 9.126 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.400 7.842 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.046 10.742 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.690 9.787 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.183 8.084 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.487 9.099 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.473 9.436 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.878 10.860 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.615 9.877 -1.106 1.00 0.00 H new ATOM 1176 N GLN A 80 10.097 8.803 -2.824 1.00 0.00 N ATOM 1177 CA GLN A 80 11.459 9.324 -2.805 1.00 0.00 C ATOM 1178 C GLN A 80 12.378 8.478 -3.680 1.00 0.00 C ATOM 1179 O GLN A 80 12.617 7.305 -3.392 1.00 0.00 O ATOM 1180 CB GLN A 80 11.992 9.364 -1.372 1.00 0.00 C ATOM 1181 CG GLN A 80 11.459 10.530 -0.556 1.00 0.00 C ATOM 1182 CD GLN A 80 11.695 11.868 -1.228 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.688 12.545 -0.956 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.783 12.258 -2.110 1.00 0.00 N ATOM 0 H GLN A 80 9.713 8.592 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 80 11.439 10.338 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.732 8.432 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.080 9.418 -1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.390 10.394 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.936 10.531 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.976 11.666 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.889 13.150 -2.593 1.00 0.00 H new ATOM 1193 N ARG A 81 12.889 9.079 -4.749 1.00 0.00 N ATOM 1194 CA ARG A 81 13.781 8.380 -5.666 1.00 0.00 C ATOM 1195 C ARG A 81 15.223 8.434 -5.170 1.00 0.00 C ATOM 1196 O ARG A 81 15.977 7.472 -5.316 1.00 0.00 O ATOM 1197 CB ARG A 81 13.688 8.991 -7.065 1.00 0.00 C ATOM 1198 CG ARG A 81 13.938 7.992 -8.183 1.00 0.00 C ATOM 1199 CD ARG A 81 14.570 8.658 -9.395 1.00 0.00 C ATOM 1200 NE ARG A 81 13.566 9.151 -10.335 1.00 0.00 N ATOM 1201 CZ ARG A 81 13.858 9.872 -11.411 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.118 10.181 -11.684 1.00 0.00 N ATOM 1203 NH2 ARG A 81 12.889 10.284 -12.218 1.00 0.00 N ATOM 0 H ARG A 81 12.700 10.049 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 81 13.470 7.336 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.699 9.430 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.410 9.803 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.590 7.197 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.996 7.525 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.197 9.487 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.222 7.946 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 81 12.587 8.929 -10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.866 9.865 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.339 10.735 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.919 10.047 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.114 10.838 -13.044 1.00 0.00 H new ATOM 1217 N TYR A 82 15.599 9.565 -4.584 1.00 0.00 N ATOM 1218 CA TYR A 82 16.951 9.746 -4.069 1.00 0.00 C ATOM 1219 C TYR A 82 16.941 10.588 -2.797 1.00 0.00 C ATOM 1220 O TYR A 82 15.933 11.206 -2.455 1.00 0.00 O ATOM 1221 CB TYR A 82 17.837 10.409 -5.125 1.00 0.00 C ATOM 1222 CG TYR A 82 17.566 11.885 -5.304 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.337 12.335 -5.770 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.539 12.831 -5.005 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.085 13.683 -5.935 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.296 14.182 -5.166 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.068 14.603 -5.631 1.00 0.00 C ATOM 1228 OH TYR A 82 16.820 15.947 -5.793 1.00 0.00 O ATOM 0 H TYR A 82 14.987 10.370 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 82 17.356 8.763 -3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.882 10.271 -4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.691 9.903 -6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.565 11.618 -6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.502 12.505 -4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.124 14.015 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 82 19.064 14.904 -4.929 1.00 0.00 H new ATOM 0 HH TYR A 82 17.614 16.460 -5.534 1.00 0.00 H new ATOM 1238 N TYR A 83 18.072 10.607 -2.100 1.00 0.00 N ATOM 1239 CA TYR A 83 18.195 11.371 -0.864 1.00 0.00 C ATOM 1240 C TYR A 83 19.570 12.024 -0.761 1.00 0.00 C ATOM 1241 O TYR A 83 20.591 11.398 -1.046 1.00 0.00 O ATOM 1242 CB TYR A 83 17.957 10.466 0.346 1.00 0.00 C ATOM 1243 CG TYR A 83 17.714 11.224 1.631 1.00 0.00 C ATOM 1244 CD1 TYR A 83 16.432 11.609 2.003 1.00 0.00 C ATOM 1245 CD2 TYR A 83 18.768 11.557 2.474 1.00 0.00 C ATOM 1246 CE1 TYR A 83 16.206 12.303 3.176 1.00 0.00 C ATOM 1247 CE2 TYR A 83 18.551 12.249 3.650 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.268 12.620 3.996 1.00 0.00 C ATOM 1249 OH TYR A 83 17.048 13.310 5.166 1.00 0.00 O ATOM 0 H TYR A 83 18.916 10.102 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 83 17.439 12.157 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.100 9.824 0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.820 9.814 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.597 11.361 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 83 19.774 11.270 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 83 15.203 12.596 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.381 12.498 4.295 1.00 0.00 H new ATOM 0 HH TYR A 83 17.901 13.452 5.627 1.00 0.00 H new ATOM 1259 N THR A 84 19.589 13.289 -0.351 1.00 0.00 N ATOM 1260 CA THR A 84 20.836 14.028 -0.211 1.00 0.00 C ATOM 1261 C THR A 84 21.245 14.144 1.253 1.00 0.00 C ATOM 1262 O THR A 84 20.619 14.869 2.027 1.00 0.00 O ATOM 1263 CB THR A 84 20.722 15.442 -0.813 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.356 15.357 -2.195 1.00 0.00 O ATOM 1265 CG2 THR A 84 22.036 16.196 -0.676 1.00 0.00 C ATOM 0 H THR A 84 18.754 13.822 -0.110 1.00 0.00 H new ATOM 0 HA THR A 84 21.597 13.469 -0.755 1.00 0.00 H new ATOM 0 HB THR A 84 19.952 15.985 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.284 16.259 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.931 17.191 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.297 16.284 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.823 15.654 -1.200 1.00 0.00 H new ATOM 1273 N ILE A 85 22.299 13.425 1.626 1.00 0.00 N ATOM 1274 CA ILE A 85 22.792 13.449 2.998 1.00 0.00 C ATOM 1275 C ILE A 85 23.786 14.587 3.205 1.00 0.00 C ATOM 1276 O ILE A 85 24.906 14.546 2.695 1.00 0.00 O ATOM 1277 CB ILE A 85 23.467 12.118 3.377 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.534 10.944 3.072 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.859 12.122 4.847 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.227 9.599 3.096 1.00 0.00 C ATOM 0 H ILE A 85 22.827 12.819 0.998 1.00 0.00 H new ATOM 0 HA ILE A 85 21.926 13.604 3.642 1.00 0.00 H new ATOM 0 HB ILE A 85 24.372 12.004 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.721 10.938 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.083 11.094 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.335 11.174 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.555 12.939 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.968 12.255 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.505 8.814 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 85 24.022 9.586 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.654 9.427 4.084 1.00 0.00 H new ATOM 1292 N GLU A 86 23.370 15.600 3.958 1.00 0.00 N ATOM 1293 CA GLU A 86 24.225 16.749 4.233 1.00 0.00 C ATOM 1294 C GLU A 86 24.863 16.633 5.614 1.00 0.00 C ATOM 1295 O GLU A 86 24.686 15.635 6.310 1.00 0.00 O ATOM 1296 CB GLU A 86 23.420 18.047 4.138 1.00 0.00 C ATOM 1297 CG GLU A 86 23.086 18.452 2.712 1.00 0.00 C ATOM 1298 CD GLU A 86 22.436 19.820 2.632 1.00 0.00 C ATOM 1299 OE1 GLU A 86 21.455 20.055 3.367 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.910 20.655 1.833 1.00 0.00 O ATOM 0 H GLU A 86 22.447 15.649 4.388 1.00 0.00 H new ATOM 0 HA GLU A 86 25.018 16.767 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.494 17.932 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.984 18.850 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.998 18.452 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.418 17.710 2.274 1.00 0.00 H new ATOM 1307 N ASN A 87 25.608 17.663 6.004 1.00 0.00 N ATOM 1308 CA ASN A 87 26.274 17.678 7.301 1.00 0.00 C ATOM 1309 C ASN A 87 27.304 16.556 7.396 1.00 0.00 C ATOM 1310 O ASN A 87 27.373 15.845 8.400 1.00 0.00 O ATOM 1311 CB ASN A 87 25.247 17.539 8.426 1.00 0.00 C ATOM 1312 CG ASN A 87 24.261 18.691 8.455 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.372 19.598 9.281 1.00 0.00 O ATOM 1314 ND2 ASN A 87 23.289 18.661 7.550 1.00 0.00 N ATOM 0 H ASN A 87 25.765 18.498 5.440 1.00 0.00 H new ATOM 0 HA ASN A 87 26.791 18.632 7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.703 16.602 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.766 17.484 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.596 19.409 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 87 23.235 17.890 6.885 1.00 0.00 H new ATOM 1321 N LEU A 88 28.103 16.404 6.346 1.00 0.00 N ATOM 1322 CA LEU A 88 29.131 15.369 6.311 1.00 0.00 C ATOM 1323 C LEU A 88 30.521 15.987 6.197 1.00 0.00 C ATOM 1324 O LEU A 88 30.675 17.109 5.715 1.00 0.00 O ATOM 1325 CB LEU A 88 28.885 14.419 5.138 1.00 0.00 C ATOM 1326 CG LEU A 88 27.588 13.611 5.189 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.376 12.858 3.885 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.604 12.648 6.367 1.00 0.00 C ATOM 0 H LEU A 88 28.059 16.984 5.508 1.00 0.00 H new ATOM 0 HA LEU A 88 29.079 14.807 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.890 15.002 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.721 13.722 5.079 1.00 0.00 H new ATOM 0 HG LEU A 88 26.757 14.304 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.448 12.289 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.318 13.568 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.210 12.177 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.673 12.082 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.444 11.961 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.707 13.210 7.295 1.00 0.00 H new ATOM 1340 N ASP A 89 31.530 15.246 6.642 1.00 0.00 N ATOM 1341 CA ASP A 89 32.908 15.718 6.588 1.00 0.00 C ATOM 1342 C ASP A 89 33.569 15.317 5.273 1.00 0.00 C ATOM 1343 O ASP A 89 33.539 14.156 4.864 1.00 0.00 O ATOM 1344 CB ASP A 89 33.708 15.161 7.766 1.00 0.00 C ATOM 1345 CG ASP A 89 33.353 15.834 9.077 1.00 0.00 C ATOM 1346 OD1 ASP A 89 32.147 15.930 9.387 1.00 0.00 O ATOM 1347 OD2 ASP A 89 34.281 16.266 9.793 1.00 0.00 O ATOM 0 H ASP A 89 31.419 14.315 7.044 1.00 0.00 H new ATOM 0 HA ASP A 89 32.895 16.806 6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.527 14.090 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.773 15.290 7.572 1.00 0.00 H new ATOM 1352 N PRO A 90 34.180 16.298 4.593 1.00 0.00 N ATOM 1353 CA PRO A 90 34.859 16.071 3.314 1.00 0.00 C ATOM 1354 C PRO A 90 36.136 15.253 3.473 1.00 0.00 C ATOM 1355 O PRO A 90 36.794 15.308 4.512 1.00 0.00 O ATOM 1356 CB PRO A 90 35.187 17.486 2.831 1.00 0.00 C ATOM 1357 CG PRO A 90 35.257 18.304 4.074 1.00 0.00 C ATOM 1358 CD PRO A 90 34.255 17.705 5.021 1.00 0.00 C ATOM 0 HA PRO A 90 34.241 15.501 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 90 36.132 17.510 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.420 17.861 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 90 36.260 18.280 4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 90 35.023 19.348 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.580 17.793 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.287 18.200 4.947 1.00 0.00 H new ATOM 1366 N SER A 91 36.481 14.496 2.437 1.00 0.00 N ATOM 1367 CA SER A 91 37.678 13.663 2.463 1.00 0.00 C ATOM 1368 C SER A 91 37.513 12.505 3.442 1.00 0.00 C ATOM 1369 O SER A 91 38.349 12.295 4.320 1.00 0.00 O ATOM 1370 CB SER A 91 38.899 14.501 2.848 1.00 0.00 C ATOM 1371 OG SER A 91 40.101 13.785 2.623 1.00 0.00 O ATOM 0 H SER A 91 35.949 14.442 1.569 1.00 0.00 H new ATOM 0 HA SER A 91 37.827 13.253 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.908 15.424 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.832 14.785 3.898 1.00 0.00 H new ATOM 0 HG SER A 91 40.116 12.985 3.189 1.00 0.00 H new ATOM 1377 N SER A 92 36.427 11.755 3.283 1.00 0.00 N ATOM 1378 CA SER A 92 36.148 10.619 4.155 1.00 0.00 C ATOM 1379 C SER A 92 35.370 9.540 3.408 1.00 0.00 C ATOM 1380 O SER A 92 34.677 9.822 2.430 1.00 0.00 O ATOM 1381 CB SER A 92 35.360 11.074 5.384 1.00 0.00 C ATOM 1382 OG SER A 92 36.219 11.641 6.359 1.00 0.00 O ATOM 0 H SER A 92 35.726 11.913 2.559 1.00 0.00 H new ATOM 0 HA SER A 92 37.100 10.198 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.608 11.805 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.827 10.225 5.813 1.00 0.00 H new ATOM 0 HG SER A 92 37.090 11.835 5.954 1.00 0.00 H new ATOM 1388 N HIS A 93 35.489 8.302 3.878 1.00 0.00 N ATOM 1389 CA HIS A 93 34.796 7.179 3.256 1.00 0.00 C ATOM 1390 C HIS A 93 33.458 6.919 3.942 1.00 0.00 C ATOM 1391 O HIS A 93 33.390 6.797 5.165 1.00 0.00 O ATOM 1392 CB HIS A 93 35.664 5.922 3.313 1.00 0.00 C ATOM 1393 CG HIS A 93 35.047 4.736 2.637 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.337 3.435 2.988 1.00 0.00 N ATOM 1395 CD2 HIS A 93 34.150 4.661 1.627 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.645 2.610 2.222 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.917 3.329 1.387 1.00 0.00 N ATOM 0 H HIS A 93 36.058 8.051 4.687 1.00 0.00 H new ATOM 0 HA HIS A 93 34.606 7.434 2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.627 6.134 2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 93 35.861 5.674 4.356 1.00 0.00 H new ATOM 0 HD1 HIS A 93 35.985 3.153 3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.701 5.494 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.670 1.531 2.271 1.00 0.00 H new ATOM 1406 N TYR A 94 32.398 6.835 3.147 1.00 0.00 N ATOM 1407 CA TYR A 94 31.061 6.592 3.678 1.00 0.00 C ATOM 1408 C TYR A 94 30.415 5.390 2.997 1.00 0.00 C ATOM 1409 O TYR A 94 30.311 5.337 1.771 1.00 0.00 O ATOM 1410 CB TYR A 94 30.183 7.831 3.491 1.00 0.00 C ATOM 1411 CG TYR A 94 30.447 8.918 4.509 1.00 0.00 C ATOM 1412 CD1 TYR A 94 29.832 8.895 5.754 1.00 0.00 C ATOM 1413 CD2 TYR A 94 31.309 9.970 4.224 1.00 0.00 C ATOM 1414 CE1 TYR A 94 30.069 9.886 6.687 1.00 0.00 C ATOM 1415 CE2 TYR A 94 31.553 10.964 5.150 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.931 10.919 6.380 1.00 0.00 C ATOM 1417 OH TYR A 94 31.170 11.909 7.306 1.00 0.00 O ATOM 0 H TYR A 94 32.438 6.931 2.132 1.00 0.00 H new ATOM 0 HA TYR A 94 31.153 6.377 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.345 8.234 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.135 7.536 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 94 29.157 8.088 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 94 31.797 10.011 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 94 29.583 9.852 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 94 32.228 11.773 4.912 1.00 0.00 H new ATOM 0 HH TYR A 94 32.077 12.260 7.183 1.00 0.00 H new ATOM 1427 N VAL A 95 29.981 4.425 3.802 1.00 0.00 N ATOM 1428 CA VAL A 95 29.342 3.223 3.279 1.00 0.00 C ATOM 1429 C VAL A 95 27.826 3.378 3.243 1.00 0.00 C ATOM 1430 O VAL A 95 27.158 3.288 4.274 1.00 0.00 O ATOM 1431 CB VAL A 95 29.701 1.985 4.123 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.942 0.763 3.628 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.202 1.739 4.095 1.00 0.00 C ATOM 0 H VAL A 95 30.060 4.452 4.819 1.00 0.00 H new ATOM 0 HA VAL A 95 29.714 3.082 2.264 1.00 0.00 H new ATOM 0 HB VAL A 95 29.406 2.172 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.208 -0.102 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.870 0.945 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.203 0.569 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.438 0.861 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.524 1.572 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.721 2.607 4.502 1.00 0.00 H new ATOM 1443 N ILE A 96 27.289 3.610 2.051 1.00 0.00 N ATOM 1444 CA ILE A 96 25.850 3.776 1.880 1.00 0.00 C ATOM 1445 C ILE A 96 25.180 2.447 1.549 1.00 0.00 C ATOM 1446 O ILE A 96 25.671 1.679 0.721 1.00 0.00 O ATOM 1447 CB ILE A 96 25.529 4.791 0.768 1.00 0.00 C ATOM 1448 CG1 ILE A 96 26.104 6.165 1.120 1.00 0.00 C ATOM 1449 CG2 ILE A 96 24.025 4.880 0.551 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.574 6.306 0.792 1.00 0.00 C ATOM 0 H ILE A 96 27.828 3.687 1.188 1.00 0.00 H new ATOM 0 HA ILE A 96 25.460 4.151 2.826 1.00 0.00 H new ATOM 0 HB ILE A 96 25.991 4.451 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.545 6.932 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.958 6.349 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.813 5.602 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.641 3.902 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.542 5.200 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.914 7.304 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.144 5.562 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.725 6.154 -0.277 1.00 0.00 H new ATOM 1462 N THR A 97 24.051 2.181 2.200 1.00 0.00 N ATOM 1463 CA THR A 97 23.311 0.946 1.975 1.00 0.00 C ATOM 1464 C THR A 97 21.840 1.229 1.693 1.00 0.00 C ATOM 1465 O THR A 97 21.342 2.320 1.976 1.00 0.00 O ATOM 1466 CB THR A 97 23.418 -0.001 3.185 1.00 0.00 C ATOM 1467 OG1 THR A 97 22.931 0.653 4.363 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.857 -0.442 3.402 1.00 0.00 C ATOM 0 H THR A 97 23.630 2.805 2.888 1.00 0.00 H new ATOM 0 HA THR A 97 23.758 0.464 1.105 1.00 0.00 H new ATOM 0 HB THR A 97 22.811 -0.884 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.001 0.044 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.907 -1.110 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.215 -0.965 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.482 0.432 3.585 1.00 0.00 H new ATOM 1476 N LEU A 98 21.149 0.242 1.136 1.00 0.00 N ATOM 1477 CA LEU A 98 19.732 0.385 0.816 1.00 0.00 C ATOM 1478 C LEU A 98 19.021 -0.963 0.880 1.00 0.00 C ATOM 1479 O LEU A 98 19.486 -1.950 0.310 1.00 0.00 O ATOM 1480 CB LEU A 98 19.562 0.999 -0.574 1.00 0.00 C ATOM 1481 CG LEU A 98 18.132 1.056 -1.113 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.423 2.305 -0.614 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.133 1.011 -2.634 1.00 0.00 C ATOM 0 H LEU A 98 21.546 -0.667 0.896 1.00 0.00 H new ATOM 0 HA LEU A 98 19.283 1.047 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.961 2.013 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.171 0.431 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 98 17.590 0.185 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.407 2.328 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.390 2.294 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.963 3.189 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.107 1.052 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.692 1.862 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.601 0.086 -2.970 1.00 0.00 H new ATOM 1495 N LYS A 99 17.889 -0.996 1.576 1.00 0.00 N ATOM 1496 CA LYS A 99 17.110 -2.221 1.712 1.00 0.00 C ATOM 1497 C LYS A 99 15.620 -1.938 1.554 1.00 0.00 C ATOM 1498 O LYS A 99 15.083 -1.025 2.180 1.00 0.00 O ATOM 1499 CB LYS A 99 17.376 -2.871 3.072 1.00 0.00 C ATOM 1500 CG LYS A 99 16.893 -2.040 4.248 1.00 0.00 C ATOM 1501 CD LYS A 99 17.038 -2.793 5.559 1.00 0.00 C ATOM 1502 CE LYS A 99 18.393 -2.539 6.201 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.460 -1.197 6.843 1.00 0.00 N ATOM 0 H LYS A 99 17.491 -0.188 2.055 1.00 0.00 H new ATOM 0 HA LYS A 99 17.417 -2.907 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.888 -3.845 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.446 -3.047 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.461 -1.111 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.848 -1.767 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.247 -2.488 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.913 -3.861 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.591 -3.309 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.174 -2.619 5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.337 -1.121 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.449 -0.460 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.641 -1.072 7.472 1.00 0.00 H new ATOM 1517 N ALA A 100 14.957 -2.729 0.717 1.00 0.00 N ATOM 1518 CA ALA A 100 13.528 -2.566 0.481 1.00 0.00 C ATOM 1519 C ALA A 100 12.711 -3.178 1.614 1.00 0.00 C ATOM 1520 O ALA A 100 13.035 -4.254 2.116 1.00 0.00 O ATOM 1521 CB ALA A 100 13.138 -3.190 -0.851 1.00 0.00 C ATOM 0 H ALA A 100 15.387 -3.490 0.191 1.00 0.00 H new ATOM 0 HA ALA A 100 13.310 -1.499 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.068 -3.061 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.689 -2.704 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.377 -4.253 -0.839 1.00 0.00 H new ATOM 1527 N PHE A 101 11.650 -2.485 2.013 1.00 0.00 N ATOM 1528 CA PHE A 101 10.787 -2.960 3.088 1.00 0.00 C ATOM 1529 C PHE A 101 9.316 -2.784 2.723 1.00 0.00 C ATOM 1530 O PHE A 101 8.979 -2.049 1.795 1.00 0.00 O ATOM 1531 CB PHE A 101 11.095 -2.210 4.386 1.00 0.00 C ATOM 1532 CG PHE A 101 10.476 -0.843 4.451 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.114 -0.694 4.660 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.255 0.292 4.301 1.00 0.00 C ATOM 1535 CE1 PHE A 101 8.542 0.563 4.721 1.00 0.00 C ATOM 1536 CE2 PHE A 101 10.688 1.551 4.361 1.00 0.00 C ATOM 1537 CZ PHE A 101 9.330 1.687 4.570 1.00 0.00 C ATOM 0 H PHE A 101 11.367 -1.593 1.608 1.00 0.00 H new ATOM 0 HA PHE A 101 10.982 -4.022 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.740 -2.801 5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.176 -2.116 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.493 -1.570 4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.318 0.192 4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.480 0.666 4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.307 2.428 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.885 2.670 4.615 1.00 0.00 H new ATOM 1547 N ASN A 102 8.444 -3.464 3.460 1.00 0.00 N ATOM 1548 CA ASN A 102 7.008 -3.385 3.214 1.00 0.00 C ATOM 1549 C ASN A 102 6.224 -4.008 4.364 1.00 0.00 C ATOM 1550 O ASN A 102 6.805 -4.505 5.328 1.00 0.00 O ATOM 1551 CB ASN A 102 6.656 -4.087 1.901 1.00 0.00 C ATOM 1552 CG ASN A 102 6.846 -5.589 1.980 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.472 -6.099 2.910 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.306 -6.306 1.001 1.00 0.00 N ATOM 0 H ASN A 102 8.706 -4.076 4.233 1.00 0.00 H new ATOM 0 HA ASN A 102 6.734 -2.333 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.620 -3.868 1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.277 -3.686 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.402 -7.321 1.000 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.796 -5.841 0.250 1.00 0.00 H new ATOM 1561 N ASN A 103 4.899 -3.978 4.255 1.00 0.00 N ATOM 1562 CA ASN A 103 4.034 -4.540 5.286 1.00 0.00 C ATOM 1563 C ASN A 103 4.518 -5.924 5.706 1.00 0.00 C ATOM 1564 O ASN A 103 4.417 -6.301 6.874 1.00 0.00 O ATOM 1565 CB ASN A 103 2.592 -4.623 4.781 1.00 0.00 C ATOM 1566 CG ASN A 103 1.658 -5.247 5.800 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.583 -6.470 5.922 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.941 -4.408 6.537 1.00 0.00 N ATOM 0 H ASN A 103 4.402 -3.571 3.463 1.00 0.00 H new ATOM 0 HA ASN A 103 4.070 -3.883 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.239 -3.622 4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.565 -5.208 3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.295 -4.770 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.036 -3.401 6.402 1.00 0.00 H new ATOM 1575 N VAL A 104 5.045 -6.678 4.747 1.00 0.00 N ATOM 1576 CA VAL A 104 5.547 -8.020 5.017 1.00 0.00 C ATOM 1577 C VAL A 104 6.807 -7.974 5.873 1.00 0.00 C ATOM 1578 O VAL A 104 6.915 -8.677 6.877 1.00 0.00 O ATOM 1579 CB VAL A 104 5.854 -8.778 3.712 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.254 -10.215 4.010 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.655 -8.734 2.776 1.00 0.00 C ATOM 0 H VAL A 104 5.135 -6.382 3.775 1.00 0.00 H new ATOM 0 HA VAL A 104 4.762 -8.548 5.559 1.00 0.00 H new ATOM 0 HB VAL A 104 6.692 -8.288 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.467 -10.735 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.143 -10.222 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.439 -10.720 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.889 -9.274 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.797 -9.199 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.419 -7.697 2.536 1.00 0.00 H new ATOM 1591 N GLY A 105 7.760 -7.139 5.469 1.00 0.00 N ATOM 1592 CA GLY A 105 9.002 -7.015 6.210 1.00 0.00 C ATOM 1593 C GLY A 105 10.081 -6.304 5.419 1.00 0.00 C ATOM 1594 O GLY A 105 9.785 -5.470 4.564 1.00 0.00 O ATOM 0 H GLY A 105 7.694 -6.546 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.816 -6.470 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.355 -8.008 6.489 1.00 0.00 H new ATOM 1598 N GLU A 106 11.337 -6.633 5.706 1.00 0.00 N ATOM 1599 CA GLU A 106 12.464 -6.016 5.016 1.00 0.00 C ATOM 1600 C GLU A 106 13.258 -7.058 4.233 1.00 0.00 C ATOM 1601 O GLU A 106 13.271 -8.237 4.584 1.00 0.00 O ATOM 1602 CB GLU A 106 13.379 -5.308 6.017 1.00 0.00 C ATOM 1603 CG GLU A 106 12.673 -4.242 6.838 1.00 0.00 C ATOM 1604 CD GLU A 106 13.543 -3.691 7.951 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.123 -4.500 8.705 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.645 -2.452 8.067 1.00 0.00 O ATOM 0 H GLU A 106 11.599 -7.322 6.411 1.00 0.00 H new ATOM 0 HA GLU A 106 12.069 -5.281 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.808 -6.049 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.208 -4.850 5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.369 -3.426 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.764 -4.662 7.267 1.00 0.00 H new ATOM 1613 N GLY A 107 13.920 -6.613 3.169 1.00 0.00 N ATOM 1614 CA GLY A 107 14.706 -7.518 2.352 1.00 0.00 C ATOM 1615 C GLY A 107 16.186 -7.450 2.672 1.00 0.00 C ATOM 1616 O GLY A 107 16.570 -7.212 3.818 1.00 0.00 O ATOM 0 H GLY A 107 13.926 -5.641 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.352 -8.538 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.553 -7.278 1.300 1.00 0.00 H new ATOM 1620 N ILE A 108 17.020 -7.661 1.659 1.00 0.00 N ATOM 1621 CA ILE A 108 18.466 -7.623 1.840 1.00 0.00 C ATOM 1622 C ILE A 108 19.037 -6.273 1.420 1.00 0.00 C ATOM 1623 O ILE A 108 18.804 -5.789 0.312 1.00 0.00 O ATOM 1624 CB ILE A 108 19.163 -8.735 1.034 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.345 -9.081 -0.212 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.366 -9.969 1.900 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.209 -10.042 0.059 1.00 0.00 C ATOM 0 H ILE A 108 16.719 -7.860 0.705 1.00 0.00 H new ATOM 0 HA ILE A 108 18.656 -7.781 2.902 1.00 0.00 H new ATOM 0 HB ILE A 108 20.141 -8.374 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.940 -8.163 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 108 19.006 -9.515 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.860 -10.746 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.985 -9.712 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.399 -10.334 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.673 -10.242 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.609 -10.975 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.526 -9.602 0.785 1.00 0.00 H new ATOM 1639 N PRO A 109 19.805 -5.648 2.326 1.00 0.00 N ATOM 1640 CA PRO A 109 20.428 -4.346 2.072 1.00 0.00 C ATOM 1641 C PRO A 109 21.545 -4.429 1.037 1.00 0.00 C ATOM 1642 O PRO A 109 22.044 -5.513 0.734 1.00 0.00 O ATOM 1643 CB PRO A 109 20.993 -3.951 3.438 1.00 0.00 C ATOM 1644 CG PRO A 109 21.211 -5.243 4.146 1.00 0.00 C ATOM 1645 CD PRO A 109 20.125 -6.166 3.667 1.00 0.00 C ATOM 0 HA PRO A 109 19.717 -3.627 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.924 -3.394 3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.298 -3.313 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.197 -5.650 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.161 -5.109 5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.465 -7.201 3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.257 -6.141 4.325 1.00 0.00 H new ATOM 1653 N LEU A 110 21.932 -3.278 0.498 1.00 0.00 N ATOM 1654 CA LEU A 110 22.992 -3.221 -0.503 1.00 0.00 C ATOM 1655 C LEU A 110 24.253 -2.586 0.074 1.00 0.00 C ATOM 1656 O LEU A 110 24.214 -1.954 1.130 1.00 0.00 O ATOM 1657 CB LEU A 110 22.522 -2.431 -1.726 1.00 0.00 C ATOM 1658 CG LEU A 110 21.469 -3.111 -2.601 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.598 -2.074 -3.293 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.133 -4.021 -3.625 1.00 0.00 C ATOM 0 H LEU A 110 21.528 -2.372 0.737 1.00 0.00 H new ATOM 0 HA LEU A 110 23.228 -4.241 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.120 -1.477 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.391 -2.208 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 110 20.832 -3.721 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.855 -2.577 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.094 -1.464 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.221 -1.437 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.368 -4.497 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.794 -3.432 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.713 -4.787 -3.110 1.00 0.00 H new ATOM 1672 N TYR A 111 25.368 -2.756 -0.627 1.00 0.00 N ATOM 1673 CA TYR A 111 26.641 -2.199 -0.185 1.00 0.00 C ATOM 1674 C TYR A 111 27.268 -1.337 -1.277 1.00 0.00 C ATOM 1675 O TYR A 111 27.550 -1.817 -2.375 1.00 0.00 O ATOM 1676 CB TYR A 111 27.602 -3.321 0.210 1.00 0.00 C ATOM 1677 CG TYR A 111 27.504 -3.719 1.665 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.295 -4.130 2.213 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.620 -3.685 2.492 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.200 -4.494 3.543 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.535 -4.048 3.822 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.323 -4.451 4.343 1.00 0.00 C ATOM 1683 OH TYR A 111 27.233 -4.814 5.667 1.00 0.00 O ATOM 0 H TYR A 111 25.416 -3.275 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 111 26.451 -1.569 0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.402 -4.194 -0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.623 -3.005 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.414 -4.166 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.570 -3.369 2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.252 -4.810 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.413 -4.016 4.451 1.00 0.00 H new ATOM 0 HH TYR A 111 28.113 -4.729 6.090 1.00 0.00 H new ATOM 1693 N GLU A 112 27.484 -0.063 -0.965 1.00 0.00 N ATOM 1694 CA GLU A 112 28.077 0.866 -1.920 1.00 0.00 C ATOM 1695 C GLU A 112 29.251 1.614 -1.294 1.00 0.00 C ATOM 1696 O GLU A 112 29.550 1.442 -0.112 1.00 0.00 O ATOM 1697 CB GLU A 112 27.028 1.864 -2.414 1.00 0.00 C ATOM 1698 CG GLU A 112 26.250 1.379 -3.626 1.00 0.00 C ATOM 1699 CD GLU A 112 27.147 0.797 -4.701 1.00 0.00 C ATOM 1700 OE1 GLU A 112 28.156 1.447 -5.046 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.841 -0.308 -5.196 1.00 0.00 O ATOM 0 H GLU A 112 27.258 0.349 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 112 28.446 0.289 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.329 2.074 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.521 2.804 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.529 0.624 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.681 2.209 -4.044 1.00 0.00 H new ATOM 1708 N SER A 113 29.912 2.443 -2.095 1.00 0.00 N ATOM 1709 CA SER A 113 31.055 3.214 -1.622 1.00 0.00 C ATOM 1710 C SER A 113 31.042 4.621 -2.210 1.00 0.00 C ATOM 1711 O SER A 113 30.736 4.812 -3.386 1.00 0.00 O ATOM 1712 CB SER A 113 32.361 2.507 -1.990 1.00 0.00 C ATOM 1713 OG SER A 113 32.599 2.570 -3.385 1.00 0.00 O ATOM 0 H SER A 113 29.675 2.598 -3.075 1.00 0.00 H new ATOM 0 HA SER A 113 30.985 3.292 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.191 2.968 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.316 1.465 -1.672 1.00 0.00 H new ATOM 0 HG SER A 113 33.440 2.113 -3.594 1.00 0.00 H new ATOM 1719 N ALA A 114 31.378 5.605 -1.381 1.00 0.00 N ATOM 1720 CA ALA A 114 31.407 6.995 -1.818 1.00 0.00 C ATOM 1721 C ALA A 114 32.229 7.854 -0.863 1.00 0.00 C ATOM 1722 O ALA A 114 31.915 7.956 0.323 1.00 0.00 O ATOM 1723 CB ALA A 114 29.992 7.541 -1.937 1.00 0.00 C ATOM 0 H ALA A 114 31.634 5.465 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 114 31.882 7.032 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.029 8.580 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.434 6.951 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.497 7.483 -0.968 1.00 0.00 H new ATOM 1729 N VAL A 115 33.284 8.470 -1.387 1.00 0.00 N ATOM 1730 CA VAL A 115 34.151 9.320 -0.580 1.00 0.00 C ATOM 1731 C VAL A 115 33.939 10.793 -0.911 1.00 0.00 C ATOM 1732 O VAL A 115 34.282 11.252 -2.001 1.00 0.00 O ATOM 1733 CB VAL A 115 35.636 8.967 -0.790 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.516 9.784 0.144 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.864 7.477 -0.582 1.00 0.00 C ATOM 0 H VAL A 115 33.559 8.396 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 115 33.887 9.143 0.463 1.00 0.00 H new ATOM 0 HB VAL A 115 35.908 9.214 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.561 9.521 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.373 10.846 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.245 9.571 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.918 7.245 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.575 7.203 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.262 6.914 -1.295 1.00 0.00 H new ATOM 1745 N THR A 116 33.370 11.531 0.038 1.00 0.00 N ATOM 1746 CA THR A 116 33.111 12.952 -0.153 1.00 0.00 C ATOM 1747 C THR A 116 34.320 13.656 -0.758 1.00 0.00 C ATOM 1748 O THR A 116 35.463 13.275 -0.504 1.00 0.00 O ATOM 1749 CB THR A 116 32.744 13.639 1.176 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.745 13.365 2.162 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.389 13.162 1.676 1.00 0.00 C ATOM 0 H THR A 116 33.080 11.168 0.946 1.00 0.00 H new ATOM 0 HA THR A 116 32.268 13.030 -0.840 1.00 0.00 H new ATOM 0 HB THR A 116 32.691 14.714 1.001 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.422 13.647 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.152 13.661 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.624 13.399 0.936 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.419 12.084 1.835 1.00 0.00 H new ATOM 1759 N ARG A 117 34.061 14.684 -1.560 1.00 0.00 N ATOM 1760 CA ARG A 117 35.129 15.440 -2.202 1.00 0.00 C ATOM 1761 C ARG A 117 35.828 16.353 -1.199 1.00 0.00 C ATOM 1762 O ARG A 117 35.252 16.766 -0.192 1.00 0.00 O ATOM 1763 CB ARG A 117 34.570 16.270 -3.360 1.00 0.00 C ATOM 1764 CG ARG A 117 34.016 15.430 -4.499 1.00 0.00 C ATOM 1765 CD ARG A 117 33.874 16.245 -5.774 1.00 0.00 C ATOM 1766 NE ARG A 117 35.156 16.777 -6.229 1.00 0.00 N ATOM 1767 CZ ARG A 117 35.631 17.963 -5.864 1.00 0.00 C ATOM 1768 NH1 ARG A 117 34.933 18.736 -5.043 1.00 0.00 N ATOM 1769 NH2 ARG A 117 36.806 18.378 -6.320 1.00 0.00 N ATOM 0 H ARG A 117 33.121 15.012 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 117 35.859 14.730 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.781 16.920 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.358 16.916 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 117 34.675 14.581 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.045 15.025 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.442 15.621 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 117 33.180 17.068 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 117 35.717 16.207 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 117 34.029 18.420 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.300 19.646 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 117 37.346 17.786 -6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 117 37.169 19.289 -6.039 1.00 0.00 H new ATOM 1783 N PRO A 118 37.099 16.676 -1.478 1.00 0.00 N ATOM 1784 CA PRO A 118 37.904 17.544 -0.613 1.00 0.00 C ATOM 1785 C PRO A 118 37.427 18.992 -0.639 1.00 0.00 C ATOM 1786 O PRO A 118 37.207 19.564 -1.706 1.00 0.00 O ATOM 1787 CB PRO A 118 39.310 17.433 -1.208 1.00 0.00 C ATOM 1788 CG PRO A 118 39.089 17.071 -2.636 1.00 0.00 C ATOM 1789 CD PRO A 118 37.849 16.221 -2.661 1.00 0.00 C ATOM 0 HA PRO A 118 37.844 17.244 0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.854 18.373 -1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 118 39.899 16.674 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.963 17.963 -3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.944 16.526 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.280 16.368 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.088 15.159 -2.601 1.00 0.00 H new