USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=27 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 Set 1.1: A 64 TYR OH : rot 170:sc= 0.139 USER MOD Set 1.2: A 72 GLN : amide:sc= -0.225 X(o=-0.086,f=-0.11) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.804 K(o=-1.2,f=-3.2!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.412 X(o=-1.2,f=-1.5) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -0.948 K(o=-0.67,f=-1.8) USER MOD Set 3.2: A 46 SER OG : rot -7:sc= 0.273 USER MOD Set 4.1: A 32 SER OG : rot -105:sc= 0.0768 USER MOD Set 4.2: A 48 THR OG1 : rot 21:sc= -0.021 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0041 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 0:sc= -1.39 USER MOD Single : A 53 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00745) 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= -0.84 X(o=-0.84,f=-0.52) 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 :FLIP amide:sc= -0.588 F(o=-1.2,f=-0.59) USER MOD Single : A 91 SER OG : rot -55:sc= 0.704 USER MOD Single : A 92 SER OG : rot 27:sc= 0.5 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.495 F(o=-1.3,f=-0.5) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 160:sc= -0.0874 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -0.0258 (180deg=-0.257) USER MOD Single : A 102 ASN : amide:sc= -4.29! C(o=-4.3!,f=-17!) USER MOD Single : A 103 ASN : amide:sc=-0.000418 X(o=-0.00042,f=0.11) 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 -166:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 0.825 -8.415 -4.786 1.00 0.00 N ATOM 287 CA ASP A 23 1.218 -9.430 -3.815 1.00 0.00 C ATOM 288 C ASP A 23 1.798 -8.785 -2.560 1.00 0.00 C ATOM 289 O ASP A 23 2.751 -8.010 -2.632 1.00 0.00 O ATOM 290 CB ASP A 23 2.241 -10.386 -4.431 1.00 0.00 C ATOM 291 CG ASP A 23 1.590 -11.469 -5.269 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.611 -11.161 -5.981 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.059 -12.624 -5.213 1.00 0.00 O ATOM 0 HA ASP A 23 0.328 -9.994 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.936 -9.820 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.827 -10.848 -3.636 1.00 0.00 H new ATOM 298 N GLU A 24 1.214 -9.110 -1.410 1.00 0.00 N ATOM 299 CA GLU A 24 1.672 -8.560 -0.140 1.00 0.00 C ATOM 300 C GLU A 24 1.930 -9.673 0.873 1.00 0.00 C ATOM 301 O GLU A 24 1.743 -9.490 2.076 1.00 0.00 O ATOM 302 CB GLU A 24 0.640 -7.578 0.418 1.00 0.00 C ATOM 303 CG GLU A 24 1.196 -6.653 1.487 1.00 0.00 C ATOM 304 CD GLU A 24 0.158 -5.683 2.018 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.498 -5.009 1.196 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.001 -5.599 3.253 1.00 0.00 O ATOM 0 H GLU A 24 0.424 -9.751 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 24 2.608 -8.030 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.243 -6.977 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.196 -8.140 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.585 -7.250 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.035 -6.092 1.076 1.00 0.00 H new ATOM 313 N THR A 25 2.362 -10.828 0.376 1.00 0.00 N ATOM 314 CA THR A 25 2.645 -11.971 1.235 1.00 0.00 C ATOM 315 C THR A 25 4.146 -12.202 1.366 1.00 0.00 C ATOM 316 O THR A 25 4.603 -12.858 2.302 1.00 0.00 O ATOM 317 CB THR A 25 1.985 -13.254 0.698 1.00 0.00 C ATOM 318 OG1 THR A 25 2.529 -13.586 -0.584 1.00 0.00 O ATOM 319 CG2 THR A 25 0.477 -13.081 0.586 1.00 0.00 C ATOM 0 H THR A 25 2.523 -10.996 -0.617 1.00 0.00 H new ATOM 0 HA THR A 25 2.229 -11.740 2.216 1.00 0.00 H new ATOM 0 HB THR A 25 2.191 -14.063 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.105 -14.404 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.033 -14.000 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.062 -12.858 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.255 -12.260 -0.096 1.00 0.00 H new ATOM 327 N ARG A 26 4.909 -11.659 0.423 1.00 0.00 N ATOM 328 CA ARG A 26 6.359 -11.807 0.433 1.00 0.00 C ATOM 329 C ARG A 26 7.044 -10.443 0.428 1.00 0.00 C ATOM 330 O ARG A 26 6.508 -9.469 -0.100 1.00 0.00 O ATOM 331 CB ARG A 26 6.818 -12.625 -0.775 1.00 0.00 C ATOM 332 CG ARG A 26 6.668 -11.893 -2.099 1.00 0.00 C ATOM 333 CD ARG A 26 7.192 -12.727 -3.258 1.00 0.00 C ATOM 334 NE ARG A 26 6.357 -13.898 -3.511 1.00 0.00 N ATOM 335 CZ ARG A 26 6.502 -15.055 -2.874 1.00 0.00 C ATOM 336 NH1 ARG A 26 7.443 -15.194 -1.951 1.00 0.00 N ATOM 337 NH2 ARG A 26 5.703 -16.075 -3.160 1.00 0.00 N ATOM 0 H ARG A 26 4.547 -11.112 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 26 6.640 -12.332 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.863 -12.902 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.245 -13.551 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.618 -11.654 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.208 -10.947 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.235 -12.112 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.211 -13.048 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 26 5.623 -13.824 -4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.058 -14.412 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.552 -16.083 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.977 -15.971 -3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.815 -16.963 -2.671 1.00 0.00 H new ATOM 351 N VAL A 27 8.233 -10.382 1.020 1.00 0.00 N ATOM 352 CA VAL A 27 8.992 -9.139 1.083 1.00 0.00 C ATOM 353 C VAL A 27 9.678 -8.846 -0.246 1.00 0.00 C ATOM 354 O VAL A 27 10.068 -9.750 -0.985 1.00 0.00 O ATOM 355 CB VAL A 27 10.056 -9.187 2.197 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.403 -9.433 3.548 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.095 -10.256 1.895 1.00 0.00 C ATOM 0 H VAL A 27 8.691 -11.179 1.463 1.00 0.00 H new ATOM 0 HA VAL A 27 8.280 -8.344 1.304 1.00 0.00 H new ATOM 0 HB VAL A 27 10.562 -8.222 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.169 -9.464 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.701 -8.628 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.870 -10.384 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.839 -10.276 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.608 -11.229 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.584 -10.030 0.948 1.00 0.00 H new ATOM 367 N PRO A 28 9.829 -7.551 -0.561 1.00 0.00 N ATOM 368 CA PRO A 28 10.469 -7.107 -1.803 1.00 0.00 C ATOM 369 C PRO A 28 11.968 -7.387 -1.814 1.00 0.00 C ATOM 370 O PRO A 28 12.747 -6.671 -1.185 1.00 0.00 O ATOM 371 CB PRO A 28 10.206 -5.599 -1.819 1.00 0.00 C ATOM 372 CG PRO A 28 10.032 -5.230 -0.386 1.00 0.00 C ATOM 373 CD PRO A 28 9.388 -6.419 0.272 1.00 0.00 C ATOM 0 HA PRO A 28 10.076 -7.631 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.037 -5.057 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.316 -5.358 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.992 -5.000 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.408 -4.342 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.713 -6.531 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.302 -6.330 0.287 1.00 0.00 H new ATOM 381 N GLU A 29 12.366 -8.431 -2.535 1.00 0.00 N ATOM 382 CA GLU A 29 13.772 -8.804 -2.627 1.00 0.00 C ATOM 383 C GLU A 29 14.635 -7.592 -2.968 1.00 0.00 C ATOM 384 O GLU A 29 14.128 -6.483 -3.139 1.00 0.00 O ATOM 385 CB GLU A 29 13.965 -9.894 -3.683 1.00 0.00 C ATOM 386 CG GLU A 29 13.031 -11.080 -3.512 1.00 0.00 C ATOM 387 CD GLU A 29 13.321 -12.198 -4.494 1.00 0.00 C ATOM 388 OE1 GLU A 29 13.594 -11.894 -5.674 1.00 0.00 O ATOM 389 OE2 GLU A 29 13.276 -13.376 -4.083 1.00 0.00 O ATOM 0 H GLU A 29 11.734 -9.033 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 29 14.084 -9.189 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.812 -9.461 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.996 -10.246 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.119 -11.463 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.001 -10.748 -3.640 1.00 0.00 H new ATOM 396 N VAL A 30 15.943 -7.812 -3.063 1.00 0.00 N ATOM 397 CA VAL A 30 16.877 -6.740 -3.383 1.00 0.00 C ATOM 398 C VAL A 30 16.393 -5.928 -4.580 1.00 0.00 C ATOM 399 O VAL A 30 15.889 -6.468 -5.565 1.00 0.00 O ATOM 400 CB VAL A 30 18.283 -7.292 -3.687 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.216 -8.357 -4.770 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.221 -6.165 -4.092 1.00 0.00 C ATOM 0 H VAL A 30 16.379 -8.723 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 30 16.930 -6.094 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 30 18.677 -7.754 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.218 -8.735 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.580 -9.176 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.802 -7.924 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.210 -6.573 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.834 -5.672 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.293 -5.442 -3.280 1.00 0.00 H new ATOM 412 N PRO A 31 16.548 -4.599 -4.495 1.00 0.00 N ATOM 413 CA PRO A 31 16.134 -3.683 -5.562 1.00 0.00 C ATOM 414 C PRO A 31 17.012 -3.805 -6.803 1.00 0.00 C ATOM 415 O PRO A 31 18.074 -4.426 -6.765 1.00 0.00 O ATOM 416 CB PRO A 31 16.296 -2.300 -4.926 1.00 0.00 C ATOM 417 CG PRO A 31 17.329 -2.488 -3.869 1.00 0.00 C ATOM 418 CD PRO A 31 17.141 -3.887 -3.350 1.00 0.00 C ATOM 0 HA PRO A 31 15.122 -3.892 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.612 -1.561 -5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.356 -1.946 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.332 -2.354 -4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.208 -1.756 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.088 -4.333 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.485 -3.908 -2.480 1.00 0.00 H new ATOM 426 N SER A 32 16.562 -3.207 -7.901 1.00 0.00 N ATOM 427 CA SER A 32 17.306 -3.251 -9.155 1.00 0.00 C ATOM 428 C SER A 32 18.770 -2.885 -8.932 1.00 0.00 C ATOM 429 O SER A 32 19.673 -3.598 -9.368 1.00 0.00 O ATOM 430 CB SER A 32 16.680 -2.300 -10.177 1.00 0.00 C ATOM 431 OG SER A 32 17.660 -1.792 -11.067 1.00 0.00 O ATOM 0 H SER A 32 15.686 -2.686 -7.948 1.00 0.00 H new ATOM 0 HA SER A 32 17.260 -4.269 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.908 -2.824 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.191 -1.475 -9.659 1.00 0.00 H new ATOM 0 HG SER A 32 17.864 -0.862 -10.833 1.00 0.00 H new ATOM 437 N SER A 33 18.996 -1.767 -8.248 1.00 0.00 N ATOM 438 CA SER A 33 20.350 -1.303 -7.969 1.00 0.00 C ATOM 439 C SER A 33 20.328 -0.085 -7.050 1.00 0.00 C ATOM 440 O SER A 33 19.266 0.348 -6.599 1.00 0.00 O ATOM 441 CB SER A 33 21.072 -0.959 -9.273 1.00 0.00 C ATOM 442 OG SER A 33 22.472 -1.140 -9.143 1.00 0.00 O ATOM 0 H SER A 33 18.259 -1.167 -7.877 1.00 0.00 H new ATOM 0 HA SER A 33 20.887 -2.107 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.694 -1.588 -10.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 20.860 0.074 -9.549 1.00 0.00 H new ATOM 0 HG SER A 33 22.911 -0.915 -9.990 1.00 0.00 H new ATOM 448 N LEU A 34 21.506 0.463 -6.777 1.00 0.00 N ATOM 449 CA LEU A 34 21.624 1.632 -5.912 1.00 0.00 C ATOM 450 C LEU A 34 22.880 2.431 -6.245 1.00 0.00 C ATOM 451 O LEU A 34 23.999 1.987 -5.985 1.00 0.00 O ATOM 452 CB LEU A 34 21.654 1.203 -4.443 1.00 0.00 C ATOM 453 CG LEU A 34 22.320 2.178 -3.472 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.369 3.312 -3.119 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.777 1.452 -2.216 1.00 0.00 C ATOM 0 H LEU A 34 22.394 0.117 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 34 20.755 2.268 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.629 1.037 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.170 0.245 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 34 23.197 2.604 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.860 3.996 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.092 3.850 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.473 2.903 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.249 2.162 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.917 0.997 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.494 0.676 -2.485 1.00 0.00 H new ATOM 467 N HIS A 35 22.687 3.615 -6.819 1.00 0.00 N ATOM 468 CA HIS A 35 23.804 4.478 -7.185 1.00 0.00 C ATOM 469 C HIS A 35 24.036 5.546 -6.120 1.00 0.00 C ATOM 470 O HIS A 35 23.088 6.084 -5.549 1.00 0.00 O ATOM 471 CB HIS A 35 23.543 5.139 -8.539 1.00 0.00 C ATOM 472 CG HIS A 35 24.470 6.277 -8.838 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.036 7.495 -9.316 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.815 6.377 -8.724 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.073 8.295 -9.484 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.165 7.641 -9.131 1.00 0.00 N ATOM 0 H HIS A 35 21.768 3.998 -7.040 1.00 0.00 H new ATOM 0 HA HIS A 35 24.700 3.861 -7.257 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.636 4.389 -9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.515 5.502 -8.565 1.00 0.00 H new ATOM 0 HD1 HIS A 35 23.065 7.740 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.488 5.606 -8.378 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.035 9.311 -9.848 1.00 0.00 H new ATOM 485 N VAL A 36 25.304 5.848 -5.858 1.00 0.00 N ATOM 486 CA VAL A 36 25.661 6.852 -4.863 1.00 0.00 C ATOM 487 C VAL A 36 26.622 7.884 -5.443 1.00 0.00 C ATOM 488 O VAL A 36 27.539 7.542 -6.190 1.00 0.00 O ATOM 489 CB VAL A 36 26.306 6.207 -3.622 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.281 5.387 -2.853 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.495 5.348 -4.025 1.00 0.00 C ATOM 0 H VAL A 36 26.101 5.411 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 36 24.736 7.347 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 36 26.666 7.000 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.755 4.939 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.465 6.034 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.888 4.600 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.938 4.900 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.162 4.560 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.238 5.967 -4.528 1.00 0.00 H new ATOM 501 N ARG A 37 26.405 9.148 -5.095 1.00 0.00 N ATOM 502 CA ARG A 37 27.252 10.230 -5.582 1.00 0.00 C ATOM 503 C ARG A 37 27.846 11.020 -4.419 1.00 0.00 C ATOM 504 O ARG A 37 27.158 11.777 -3.734 1.00 0.00 O ATOM 505 CB ARG A 37 26.450 11.164 -6.490 1.00 0.00 C ATOM 506 CG ARG A 37 27.102 12.522 -6.696 1.00 0.00 C ATOM 507 CD ARG A 37 28.294 12.430 -7.637 1.00 0.00 C ATOM 508 NE ARG A 37 27.920 11.896 -8.943 1.00 0.00 N ATOM 509 CZ ARG A 37 28.781 11.717 -9.939 1.00 0.00 C ATOM 510 NH1 ARG A 37 30.060 12.029 -9.777 1.00 0.00 N ATOM 511 NH2 ARG A 37 28.365 11.226 -11.099 1.00 0.00 N ATOM 0 H ARG A 37 25.650 9.448 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 37 28.068 9.790 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.313 10.685 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.458 11.308 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 37 26.370 13.221 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.426 12.921 -5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 37 28.734 13.419 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 37 29.060 11.795 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 37 26.943 11.646 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 37 30.384 12.407 -8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 37 30.720 11.891 -10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 37 27.382 10.985 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 37 29.028 11.089 -11.862 1.00 0.00 H new ATOM 525 N PRO A 38 29.156 10.842 -4.191 1.00 0.00 N ATOM 526 CA PRO A 38 29.872 11.529 -3.112 1.00 0.00 C ATOM 527 C PRO A 38 30.022 13.023 -3.375 1.00 0.00 C ATOM 528 O PRO A 38 30.493 13.432 -4.437 1.00 0.00 O ATOM 529 CB PRO A 38 31.242 10.847 -3.105 1.00 0.00 C ATOM 530 CG PRO A 38 31.415 10.329 -4.491 1.00 0.00 C ATOM 531 CD PRO A 38 30.038 9.955 -4.968 1.00 0.00 C ATOM 0 HA PRO A 38 29.341 11.460 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.033 11.550 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.279 10.040 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.860 11.085 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.081 9.466 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.927 10.116 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.819 8.904 -4.779 1.00 0.00 H new ATOM 539 N LEU A 39 29.619 13.834 -2.404 1.00 0.00 N ATOM 540 CA LEU A 39 29.709 15.285 -2.531 1.00 0.00 C ATOM 541 C LEU A 39 30.555 15.878 -1.409 1.00 0.00 C ATOM 542 O LEU A 39 30.669 15.297 -0.329 1.00 0.00 O ATOM 543 CB LEU A 39 28.311 15.906 -2.514 1.00 0.00 C ATOM 544 CG LEU A 39 27.618 16.036 -3.870 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.957 14.723 -4.260 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.595 17.162 -3.841 1.00 0.00 C ATOM 0 H LEU A 39 29.226 13.512 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 39 30.189 15.513 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.677 15.307 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.381 16.898 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 39 28.372 16.276 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.469 14.835 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.713 13.940 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.215 14.452 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.112 17.240 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.844 16.952 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.095 18.102 -3.608 1.00 0.00 H new ATOM 558 N VAL A 40 31.146 17.040 -1.671 1.00 0.00 N ATOM 559 CA VAL A 40 31.979 17.714 -0.682 1.00 0.00 C ATOM 560 C VAL A 40 31.495 17.424 0.734 1.00 0.00 C ATOM 561 O VAL A 40 32.142 16.695 1.487 1.00 0.00 O ATOM 562 CB VAL A 40 31.993 19.238 -0.906 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.830 19.926 0.161 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.513 19.566 -2.297 1.00 0.00 C ATOM 0 H VAL A 40 31.063 17.534 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 40 32.991 17.327 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 40 30.971 19.610 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.829 21.002 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.409 19.717 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.853 19.553 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.516 20.647 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.528 19.183 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.868 19.104 -3.045 1.00 0.00 H new ATOM 574 N THR A 41 30.351 17.999 1.092 1.00 0.00 N ATOM 575 CA THR A 41 29.780 17.803 2.419 1.00 0.00 C ATOM 576 C THR A 41 28.405 17.149 2.334 1.00 0.00 C ATOM 577 O THR A 41 27.587 17.282 3.244 1.00 0.00 O ATOM 578 CB THR A 41 29.656 19.136 3.179 1.00 0.00 C ATOM 579 OG1 THR A 41 28.908 20.077 2.400 1.00 0.00 O ATOM 580 CG2 THR A 41 31.029 19.709 3.495 1.00 0.00 C ATOM 0 H THR A 41 29.802 18.604 0.482 1.00 0.00 H new ATOM 0 HA THR A 41 30.459 17.146 2.962 1.00 0.00 H new ATOM 0 HB THR A 41 29.135 18.946 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.832 20.922 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.915 20.651 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.584 19.003 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.573 19.884 2.567 1.00 0.00 H new ATOM 588 N SER A 42 28.158 16.441 1.236 1.00 0.00 N ATOM 589 CA SER A 42 26.881 15.769 1.032 1.00 0.00 C ATOM 590 C SER A 42 27.066 14.480 0.237 1.00 0.00 C ATOM 591 O SER A 42 28.188 14.108 -0.110 1.00 0.00 O ATOM 592 CB SER A 42 25.904 16.694 0.304 1.00 0.00 C ATOM 593 OG SER A 42 24.562 16.389 0.644 1.00 0.00 O ATOM 0 H SER A 42 28.826 16.318 0.475 1.00 0.00 H new ATOM 0 HA SER A 42 26.471 15.517 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.121 17.731 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 42 26.041 16.597 -0.773 1.00 0.00 H new ATOM 0 HG SER A 42 24.547 15.643 1.280 1.00 0.00 H new ATOM 599 N ILE A 43 25.959 13.804 -0.048 1.00 0.00 N ATOM 600 CA ILE A 43 25.998 12.557 -0.803 1.00 0.00 C ATOM 601 C ILE A 43 24.633 12.231 -1.398 1.00 0.00 C ATOM 602 O ILE A 43 23.715 11.821 -0.687 1.00 0.00 O ATOM 603 CB ILE A 43 26.456 11.380 0.079 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.860 11.641 0.628 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.424 10.081 -0.714 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.457 10.453 1.349 1.00 0.00 C ATOM 0 H ILE A 43 25.023 14.098 0.232 1.00 0.00 H new ATOM 0 HA ILE A 43 26.718 12.698 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 43 25.769 11.287 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.516 11.924 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.822 12.489 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.750 9.258 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.408 9.891 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.091 10.162 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.452 10.710 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.822 10.183 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.527 9.609 0.663 1.00 0.00 H new ATOM 618 N VAL A 44 24.505 12.416 -2.708 1.00 0.00 N ATOM 619 CA VAL A 44 23.252 12.139 -3.401 1.00 0.00 C ATOM 620 C VAL A 44 23.067 10.642 -3.623 1.00 0.00 C ATOM 621 O VAL A 44 23.608 10.072 -4.570 1.00 0.00 O ATOM 622 CB VAL A 44 23.192 12.860 -4.761 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.752 12.980 -5.237 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.847 14.229 -4.667 1.00 0.00 C ATOM 0 H VAL A 44 25.254 12.757 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 44 22.449 12.511 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 44 23.744 12.269 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.728 13.492 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.320 11.985 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.174 13.549 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.796 14.724 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 44 23.325 14.832 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.890 14.114 -4.373 1.00 0.00 H new ATOM 634 N VAL A 45 22.296 10.010 -2.743 1.00 0.00 N ATOM 635 CA VAL A 45 22.037 8.578 -2.844 1.00 0.00 C ATOM 636 C VAL A 45 20.850 8.298 -3.758 1.00 0.00 C ATOM 637 O VAL A 45 19.695 8.422 -3.350 1.00 0.00 O ATOM 638 CB VAL A 45 21.763 7.959 -1.460 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.346 6.503 -1.600 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.987 8.089 -0.567 1.00 0.00 C ATOM 0 H VAL A 45 21.840 10.467 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 45 22.933 8.123 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 45 20.942 8.503 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.157 6.082 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.439 6.441 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.143 5.941 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.776 7.647 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.829 7.571 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.235 9.143 -0.441 1.00 0.00 H new ATOM 650 N SER A 46 21.142 7.919 -4.998 1.00 0.00 N ATOM 651 CA SER A 46 20.098 7.623 -5.973 1.00 0.00 C ATOM 652 C SER A 46 19.970 6.119 -6.192 1.00 0.00 C ATOM 653 O SER A 46 20.943 5.444 -6.529 1.00 0.00 O ATOM 654 CB SER A 46 20.400 8.320 -7.302 1.00 0.00 C ATOM 655 OG SER A 46 21.540 7.755 -7.926 1.00 0.00 O ATOM 0 H SER A 46 22.093 7.810 -5.352 1.00 0.00 H new ATOM 0 HA SER A 46 19.152 7.997 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.539 8.235 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.565 9.383 -7.129 1.00 0.00 H new ATOM 0 HG SER A 46 21.963 7.115 -7.316 1.00 0.00 H new ATOM 661 N TRP A 47 18.763 5.600 -5.999 1.00 0.00 N ATOM 662 CA TRP A 47 18.506 4.176 -6.175 1.00 0.00 C ATOM 663 C TRP A 47 17.360 3.946 -7.155 1.00 0.00 C ATOM 664 O TRP A 47 16.826 4.892 -7.735 1.00 0.00 O ATOM 665 CB TRP A 47 18.180 3.525 -4.830 1.00 0.00 C ATOM 666 CG TRP A 47 16.932 4.061 -4.197 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.672 3.543 -4.304 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.823 5.219 -3.362 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.787 4.310 -3.585 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.468 5.343 -2.998 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.738 6.161 -2.886 1.00 0.00 C ATOM 672 CZ2 TRP A 47 15.010 6.373 -2.180 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.281 7.182 -2.075 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.927 7.281 -1.728 1.00 0.00 C ATOM 0 H TRP A 47 17.947 6.144 -5.720 1.00 0.00 H new ATOM 0 HA TRP A 47 19.407 3.718 -6.584 1.00 0.00 H new ATOM 0 HB2 TRP A 47 18.074 2.449 -4.971 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.018 3.676 -4.149 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.410 2.661 -4.870 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.785 4.138 -3.502 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.784 6.092 -3.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.967 6.452 -1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.979 7.916 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.601 8.090 -1.091 1.00 0.00 H new ATOM 685 N THR A 48 16.986 2.683 -7.337 1.00 0.00 N ATOM 686 CA THR A 48 15.904 2.330 -8.247 1.00 0.00 C ATOM 687 C THR A 48 15.000 1.264 -7.639 1.00 0.00 C ATOM 688 O THR A 48 15.416 0.472 -6.793 1.00 0.00 O ATOM 689 CB THR A 48 16.448 1.819 -9.594 1.00 0.00 C ATOM 690 OG1 THR A 48 17.414 0.785 -9.372 1.00 0.00 O ATOM 691 CG2 THR A 48 17.084 2.951 -10.386 1.00 0.00 C ATOM 0 H THR A 48 17.417 1.888 -6.866 1.00 0.00 H new ATOM 0 HA THR A 48 15.326 3.238 -8.418 1.00 0.00 H new ATOM 0 HB THR A 48 15.613 1.419 -10.169 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.286 0.404 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.461 2.565 -11.333 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.339 3.723 -10.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.908 3.377 -9.814 1.00 0.00 H new ATOM 699 N PRO A 49 13.733 1.239 -8.080 1.00 0.00 N ATOM 700 CA PRO A 49 12.744 0.273 -7.593 1.00 0.00 C ATOM 701 C PRO A 49 13.039 -1.146 -8.065 1.00 0.00 C ATOM 702 O PRO A 49 13.787 -1.366 -9.018 1.00 0.00 O ATOM 703 CB PRO A 49 11.431 0.776 -8.196 1.00 0.00 C ATOM 704 CG PRO A 49 11.838 1.534 -9.412 1.00 0.00 C ATOM 705 CD PRO A 49 13.169 2.153 -9.087 1.00 0.00 C ATOM 0 HA PRO A 49 12.733 0.213 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.769 -0.052 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.892 1.413 -7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.915 0.874 -10.276 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.102 2.299 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.806 2.222 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.057 3.164 -8.695 1.00 0.00 H new ATOM 713 N PRO A 50 12.438 -2.134 -7.385 1.00 0.00 N ATOM 714 CA PRO A 50 12.621 -3.550 -7.719 1.00 0.00 C ATOM 715 C PRO A 50 11.959 -3.924 -9.041 1.00 0.00 C ATOM 716 O PRO A 50 10.755 -3.737 -9.216 1.00 0.00 O ATOM 717 CB PRO A 50 11.943 -4.279 -6.556 1.00 0.00 C ATOM 718 CG PRO A 50 10.937 -3.310 -6.037 1.00 0.00 C ATOM 719 CD PRO A 50 11.534 -1.945 -6.239 1.00 0.00 C ATOM 0 HA PRO A 50 13.673 -3.806 -7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.468 -5.202 -6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.664 -4.552 -5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.992 -3.405 -6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.727 -3.492 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.768 -1.199 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.073 -1.607 -5.354 1.00 0.00 H new ATOM 727 N GLU A 51 12.753 -4.453 -9.966 1.00 0.00 N ATOM 728 CA GLU A 51 12.241 -4.853 -11.272 1.00 0.00 C ATOM 729 C GLU A 51 10.864 -5.497 -11.143 1.00 0.00 C ATOM 730 O GLU A 51 9.970 -5.242 -11.949 1.00 0.00 O ATOM 731 CB GLU A 51 13.210 -5.826 -11.947 1.00 0.00 C ATOM 732 CG GLU A 51 14.325 -5.139 -12.718 1.00 0.00 C ATOM 733 CD GLU A 51 15.553 -4.886 -11.866 1.00 0.00 C ATOM 734 OE1 GLU A 51 15.443 -4.970 -10.625 1.00 0.00 O ATOM 735 OE2 GLU A 51 16.626 -4.605 -12.441 1.00 0.00 O ATOM 0 H GLU A 51 13.752 -4.615 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 51 12.148 -3.958 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.650 -6.473 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.651 -6.468 -12.628 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.602 -5.754 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.959 -4.191 -13.112 1.00 0.00 H new ATOM 742 N ASN A 52 10.701 -6.333 -10.123 1.00 0.00 N ATOM 743 CA ASN A 52 9.433 -7.015 -9.889 1.00 0.00 C ATOM 744 C ASN A 52 8.372 -6.036 -9.397 1.00 0.00 C ATOM 745 O ASN A 52 8.424 -5.568 -8.260 1.00 0.00 O ATOM 746 CB ASN A 52 9.616 -8.140 -8.868 1.00 0.00 C ATOM 747 CG ASN A 52 8.651 -9.288 -9.094 1.00 0.00 C ATOM 748 OD1 ASN A 52 8.138 -9.474 -10.197 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.400 -10.064 -8.046 1.00 0.00 N ATOM 0 H ASN A 52 11.431 -6.555 -9.445 1.00 0.00 H new ATOM 0 HA ASN A 52 9.099 -7.442 -10.835 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.639 -8.513 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.474 -7.742 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.759 -10.852 -8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.848 -9.872 -7.150 1.00 0.00 H new ATOM 756 N GLN A 53 7.410 -5.731 -10.262 1.00 0.00 N ATOM 757 CA GLN A 53 6.336 -4.808 -9.916 1.00 0.00 C ATOM 758 C GLN A 53 5.123 -5.560 -9.378 1.00 0.00 C ATOM 759 O GLN A 53 3.982 -5.168 -9.616 1.00 0.00 O ATOM 760 CB GLN A 53 5.935 -3.977 -11.137 1.00 0.00 C ATOM 761 CG GLN A 53 6.768 -2.718 -11.316 1.00 0.00 C ATOM 762 CD GLN A 53 6.259 -1.558 -10.482 1.00 0.00 C ATOM 763 OE1 GLN A 53 5.500 -0.718 -10.965 1.00 0.00 O ATOM 764 NE2 GLN A 53 6.676 -1.507 -9.223 1.00 0.00 N ATOM 0 H GLN A 53 7.353 -6.110 -11.207 1.00 0.00 H new ATOM 0 HA GLN A 53 6.703 -4.141 -9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.026 -4.593 -12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.885 -3.698 -11.048 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.802 -2.930 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.767 -2.432 -12.368 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.305 -2.225 -8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.367 -0.750 -8.614 1.00 0.00 H new ATOM 773 N ASN A 54 5.379 -6.643 -8.652 1.00 0.00 N ATOM 774 CA ASN A 54 4.308 -7.451 -8.080 1.00 0.00 C ATOM 775 C ASN A 54 4.321 -7.373 -6.557 1.00 0.00 C ATOM 776 O ASN A 54 3.288 -7.540 -5.908 1.00 0.00 O ATOM 777 CB ASN A 54 4.445 -8.907 -8.528 1.00 0.00 C ATOM 778 CG ASN A 54 4.617 -9.037 -10.030 1.00 0.00 C ATOM 779 OD1 ASN A 54 5.563 -9.666 -10.505 1.00 0.00 O ATOM 780 ND2 ASN A 54 3.702 -8.439 -10.784 1.00 0.00 N ATOM 0 H ASN A 54 6.319 -6.982 -8.446 1.00 0.00 H new ATOM 0 HA ASN A 54 3.358 -7.055 -8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.301 -9.359 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.562 -9.465 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.766 -8.490 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.935 -7.929 -10.346 1.00 0.00 H new ATOM 787 N ILE A 55 5.497 -7.118 -5.993 1.00 0.00 N ATOM 788 CA ILE A 55 5.644 -7.015 -4.546 1.00 0.00 C ATOM 789 C ILE A 55 5.299 -5.613 -4.056 1.00 0.00 C ATOM 790 O ILE A 55 5.833 -4.621 -4.553 1.00 0.00 O ATOM 791 CB ILE A 55 7.076 -7.366 -4.100 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.579 -8.601 -4.849 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.120 -7.597 -2.597 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.055 -8.868 -4.651 1.00 0.00 C ATOM 0 H ILE A 55 6.362 -6.979 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 55 4.949 -7.731 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 55 7.731 -6.528 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.013 -9.472 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.380 -8.477 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.138 -7.844 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.799 -6.693 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.455 -8.420 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.342 -9.758 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.630 -8.014 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.257 -9.025 -3.591 1.00 0.00 H new ATOM 806 N VAL A 56 4.404 -5.538 -3.077 1.00 0.00 N ATOM 807 CA VAL A 56 3.990 -4.257 -2.517 1.00 0.00 C ATOM 808 C VAL A 56 5.125 -3.607 -1.733 1.00 0.00 C ATOM 809 O VAL A 56 5.606 -4.158 -0.743 1.00 0.00 O ATOM 810 CB VAL A 56 2.769 -4.417 -1.592 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.462 -3.109 -0.880 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.562 -4.899 -2.382 1.00 0.00 C ATOM 0 H VAL A 56 3.952 -6.349 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 56 3.719 -3.617 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 56 3.004 -5.167 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.596 -3.242 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.322 -2.810 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.247 -2.335 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.708 -5.007 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.324 -4.174 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.788 -5.862 -2.840 1.00 0.00 H new ATOM 822 N VAL A 57 5.549 -2.430 -2.183 1.00 0.00 N ATOM 823 CA VAL A 57 6.627 -1.703 -1.523 1.00 0.00 C ATOM 824 C VAL A 57 6.090 -0.494 -0.765 1.00 0.00 C ATOM 825 O VAL A 57 5.399 0.351 -1.333 1.00 0.00 O ATOM 826 CB VAL A 57 7.687 -1.230 -2.536 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.703 -0.322 -1.861 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.373 -2.424 -3.184 1.00 0.00 C ATOM 0 H VAL A 57 5.162 -1.960 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 57 7.091 -2.394 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 57 7.188 -0.658 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.444 0.002 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.195 0.550 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.200 -0.866 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.119 -2.072 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.860 -3.025 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.632 -3.031 -3.704 1.00 0.00 H new ATOM 838 N ARG A 58 6.414 -0.418 0.522 1.00 0.00 N ATOM 839 CA ARG A 58 5.965 0.687 1.359 1.00 0.00 C ATOM 840 C ARG A 58 7.045 1.759 1.471 1.00 0.00 C ATOM 841 O ARG A 58 6.745 2.947 1.583 1.00 0.00 O ATOM 842 CB ARG A 58 5.589 0.179 2.753 1.00 0.00 C ATOM 843 CG ARG A 58 4.330 -0.671 2.772 1.00 0.00 C ATOM 844 CD ARG A 58 3.077 0.186 2.684 1.00 0.00 C ATOM 845 NE ARG A 58 1.885 -0.613 2.414 1.00 0.00 N ATOM 846 CZ ARG A 58 0.698 -0.089 2.130 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.546 1.227 2.078 1.00 0.00 N ATOM 848 NH2 ARG A 58 -0.340 -0.882 1.896 1.00 0.00 N ATOM 0 H ARG A 58 6.986 -1.109 1.007 1.00 0.00 H new ATOM 0 HA ARG A 58 5.086 1.130 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.418 -0.405 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.451 1.033 3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.351 -1.373 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.303 -1.263 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.944 0.731 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.201 0.929 1.897 1.00 0.00 H new ATOM 0 HE ARG A 58 1.968 -1.629 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.342 1.840 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.367 1.627 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.227 -1.895 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.251 -0.479 1.678 1.00 0.00 H new ATOM 862 N GLY A 59 8.303 1.330 1.440 1.00 0.00 N ATOM 863 CA GLY A 59 9.408 2.266 1.539 1.00 0.00 C ATOM 864 C GLY A 59 10.754 1.570 1.583 1.00 0.00 C ATOM 865 O GLY A 59 10.831 0.345 1.487 1.00 0.00 O ATOM 0 H GLY A 59 8.577 0.352 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.382 2.946 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.287 2.873 2.436 1.00 0.00 H new ATOM 869 N TYR A 60 11.818 2.352 1.728 1.00 0.00 N ATOM 870 CA TYR A 60 13.168 1.804 1.780 1.00 0.00 C ATOM 871 C TYR A 60 13.956 2.408 2.939 1.00 0.00 C ATOM 872 O TYR A 60 13.556 3.417 3.517 1.00 0.00 O ATOM 873 CB TYR A 60 13.898 2.064 0.462 1.00 0.00 C ATOM 874 CG TYR A 60 13.005 1.966 -0.754 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.266 3.060 -1.187 1.00 0.00 C ATOM 876 CD2 TYR A 60 12.902 0.781 -1.471 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.448 2.975 -2.297 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.088 0.687 -2.584 1.00 0.00 C ATOM 879 CZ TYR A 60 11.363 1.786 -2.992 1.00 0.00 C ATOM 880 OH TYR A 60 10.551 1.698 -4.100 1.00 0.00 O ATOM 0 H TYR A 60 11.772 3.368 1.812 1.00 0.00 H new ATOM 0 HA TYR A 60 13.091 0.728 1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.346 3.057 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.715 1.349 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.332 3.993 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.468 -0.082 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.878 3.834 -2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.020 -0.242 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 60 10.605 0.794 -4.474 1.00 0.00 H new ATOM 890 N ALA A 61 15.080 1.781 3.271 1.00 0.00 N ATOM 891 CA ALA A 61 15.927 2.257 4.358 1.00 0.00 C ATOM 892 C ALA A 61 17.347 2.523 3.871 1.00 0.00 C ATOM 893 O ALA A 61 17.988 1.646 3.290 1.00 0.00 O ATOM 894 CB ALA A 61 15.938 1.249 5.499 1.00 0.00 C ATOM 0 H ALA A 61 15.425 0.943 2.803 1.00 0.00 H new ATOM 0 HA ALA A 61 15.514 3.197 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.574 1.617 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.923 1.111 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.324 0.296 5.139 1.00 0.00 H new ATOM 900 N ILE A 62 17.833 3.736 4.112 1.00 0.00 N ATOM 901 CA ILE A 62 19.178 4.116 3.698 1.00 0.00 C ATOM 902 C ILE A 62 20.090 4.309 4.904 1.00 0.00 C ATOM 903 O ILE A 62 19.955 5.278 5.649 1.00 0.00 O ATOM 904 CB ILE A 62 19.165 5.411 2.865 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.225 5.265 1.667 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.573 5.756 2.401 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.593 6.569 1.232 1.00 0.00 C ATOM 0 H ILE A 62 17.315 4.472 4.592 1.00 0.00 H new ATOM 0 HA ILE A 62 19.561 3.302 3.083 1.00 0.00 H new ATOM 0 HB ILE A 62 18.799 6.224 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.780 4.842 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.437 4.555 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.548 6.674 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.217 5.898 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.963 4.943 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.939 6.390 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.010 6.983 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.374 7.275 0.949 1.00 0.00 H new ATOM 919 N GLY A 63 21.023 3.378 5.089 1.00 0.00 N ATOM 920 CA GLY A 63 21.946 3.465 6.205 1.00 0.00 C ATOM 921 C GLY A 63 23.302 4.004 5.795 1.00 0.00 C ATOM 922 O GLY A 63 23.795 3.701 4.708 1.00 0.00 O ATOM 0 H GLY A 63 21.155 2.566 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.520 4.108 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.070 2.477 6.648 1.00 0.00 H new ATOM 926 N TYR A 64 23.906 4.805 6.665 1.00 0.00 N ATOM 927 CA TYR A 64 25.212 5.391 6.386 1.00 0.00 C ATOM 928 C TYR A 64 26.044 5.500 7.661 1.00 0.00 C ATOM 929 O TYR A 64 25.504 5.559 8.765 1.00 0.00 O ATOM 930 CB TYR A 64 25.049 6.772 5.750 1.00 0.00 C ATOM 931 CG TYR A 64 24.465 7.805 6.687 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.090 7.985 6.784 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.286 8.602 7.475 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.551 8.928 7.638 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.756 9.546 8.333 1.00 0.00 C ATOM 936 CZ TYR A 64 23.388 9.705 8.411 1.00 0.00 C ATOM 937 OH TYR A 64 22.856 10.646 9.263 1.00 0.00 O ATOM 0 H TYR A 64 23.512 5.064 7.570 1.00 0.00 H new ATOM 0 HA TYR A 64 25.734 4.737 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.021 7.119 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.408 6.685 4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.432 7.377 6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.358 8.481 7.416 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.480 9.056 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.409 10.156 8.939 1.00 0.00 H new ATOM 0 HH TYR A 64 23.562 10.995 9.847 1.00 0.00 H new ATOM 947 N GLY A 65 27.363 5.527 7.498 1.00 0.00 N ATOM 948 CA GLY A 65 28.249 5.629 8.643 1.00 0.00 C ATOM 949 C GLY A 65 29.699 5.380 8.277 1.00 0.00 C ATOM 950 O GLY A 65 29.990 4.719 7.280 1.00 0.00 O ATOM 0 H GLY A 65 27.834 5.480 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.154 6.621 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 65 27.941 4.911 9.403 1.00 0.00 H new ATOM 954 N ILE A 66 30.611 5.912 9.085 1.00 0.00 N ATOM 955 CA ILE A 66 32.038 5.744 8.840 1.00 0.00 C ATOM 956 C ILE A 66 32.513 4.364 9.282 1.00 0.00 C ATOM 957 O ILE A 66 32.948 4.180 10.418 1.00 0.00 O ATOM 958 CB ILE A 66 32.865 6.817 9.572 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.487 8.213 9.070 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.352 6.563 9.378 1.00 0.00 C ATOM 961 CD1 ILE A 66 32.767 8.421 7.598 1.00 0.00 C ATOM 0 H ILE A 66 30.387 6.462 9.914 1.00 0.00 H new ATOM 0 HA ILE A 66 32.188 5.851 7.766 1.00 0.00 H new ATOM 0 HB ILE A 66 32.643 6.762 10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 66 31.427 8.383 9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.036 8.958 9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 66 34.923 7.330 9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.609 5.582 9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.591 6.595 8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.475 9.431 7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 66 33.831 8.283 7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.197 7.699 7.014 1.00 0.00 H new ATOM 973 N GLY A 67 32.427 3.395 8.375 1.00 0.00 N ATOM 974 CA GLY A 67 32.853 2.044 8.689 1.00 0.00 C ATOM 975 C GLY A 67 31.716 1.045 8.610 1.00 0.00 C ATOM 976 O GLY A 67 31.916 -0.102 8.210 1.00 0.00 O ATOM 0 H GLY A 67 32.070 3.522 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.643 1.746 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.281 2.025 9.691 1.00 0.00 H new ATOM 980 N SER A 68 30.521 1.479 8.995 1.00 0.00 N ATOM 981 CA SER A 68 29.348 0.612 8.971 1.00 0.00 C ATOM 982 C SER A 68 28.070 1.432 8.825 1.00 0.00 C ATOM 983 O SER A 68 27.928 2.515 9.392 1.00 0.00 O ATOM 984 CB SER A 68 29.285 -0.230 10.247 1.00 0.00 C ATOM 985 OG SER A 68 30.389 -1.115 10.329 1.00 0.00 O ATOM 0 H SER A 68 30.339 2.426 9.327 1.00 0.00 H new ATOM 0 HA SER A 68 29.433 -0.051 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.274 0.425 11.118 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.356 -0.800 10.265 1.00 0.00 H new ATOM 0 HG SER A 68 30.326 -1.641 11.154 1.00 0.00 H new ATOM 991 N PRO A 69 27.115 0.903 8.046 1.00 0.00 N ATOM 992 CA PRO A 69 25.830 1.567 7.807 1.00 0.00 C ATOM 993 C PRO A 69 24.945 1.583 9.049 1.00 0.00 C ATOM 994 O PRO A 69 23.827 2.097 9.021 1.00 0.00 O ATOM 995 CB PRO A 69 25.191 0.717 6.706 1.00 0.00 C ATOM 996 CG PRO A 69 25.811 -0.629 6.858 1.00 0.00 C ATOM 997 CD PRO A 69 27.215 -0.385 7.339 1.00 0.00 C ATOM 0 HA PRO A 69 25.957 2.615 7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.108 0.669 6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.389 1.135 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.254 -1.237 7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.811 -1.168 5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.557 -1.181 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.921 -0.334 6.510 1.00 0.00 H new ATOM 1005 N HIS A 70 25.453 1.016 10.139 1.00 0.00 N ATOM 1006 CA HIS A 70 24.709 0.966 11.393 1.00 0.00 C ATOM 1007 C HIS A 70 24.731 2.322 12.092 1.00 0.00 C ATOM 1008 O HIS A 70 23.766 2.706 12.752 1.00 0.00 O ATOM 1009 CB HIS A 70 25.292 -0.106 12.314 1.00 0.00 C ATOM 1010 CG HIS A 70 24.969 -1.504 11.886 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.206 -2.366 12.646 1.00 0.00 N ATOM 1012 CD2 HIS A 70 25.307 -2.189 10.769 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.092 -3.521 12.015 1.00 0.00 C ATOM 1014 NE2 HIS A 70 24.751 -3.439 10.873 1.00 0.00 N ATOM 0 H HIS A 70 26.377 0.585 10.179 1.00 0.00 H new ATOM 0 HA HIS A 70 23.674 0.713 11.163 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.375 0.012 12.355 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.916 0.052 13.325 1.00 0.00 H new ATOM 0 HD2 HIS A 70 25.904 -1.820 9.948 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.552 -4.385 12.372 1.00 0.00 H new ATOM 0 HE2 HIS A 70 24.833 -4.184 10.181 1.00 0.00 H new ATOM 1023 N ALA A 71 25.838 3.042 11.943 1.00 0.00 N ATOM 1024 CA ALA A 71 25.985 4.355 12.558 1.00 0.00 C ATOM 1025 C ALA A 71 24.658 5.106 12.572 1.00 0.00 C ATOM 1026 O ALA A 71 24.136 5.442 13.635 1.00 0.00 O ATOM 1027 CB ALA A 71 27.045 5.165 11.827 1.00 0.00 C ATOM 0 H ALA A 71 26.647 2.738 11.401 1.00 0.00 H new ATOM 0 HA ALA A 71 26.302 4.212 13.591 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.144 6.143 12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 71 28.000 4.641 11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.752 5.291 10.785 1.00 0.00 H new ATOM 1033 N GLN A 72 24.119 5.366 11.386 1.00 0.00 N ATOM 1034 CA GLN A 72 22.853 6.080 11.263 1.00 0.00 C ATOM 1035 C GLN A 72 22.005 5.495 10.138 1.00 0.00 C ATOM 1036 O GLN A 72 22.527 4.881 9.207 1.00 0.00 O ATOM 1037 CB GLN A 72 23.104 7.567 11.007 1.00 0.00 C ATOM 1038 CG GLN A 72 23.675 8.303 12.209 1.00 0.00 C ATOM 1039 CD GLN A 72 24.409 9.571 11.821 1.00 0.00 C ATOM 1040 OE1 GLN A 72 23.878 10.675 11.954 1.00 0.00 O ATOM 1041 NE2 GLN A 72 25.637 9.422 11.340 1.00 0.00 N ATOM 0 H GLN A 72 24.538 5.094 10.497 1.00 0.00 H new ATOM 0 HA GLN A 72 22.309 5.967 12.201 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.791 7.672 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.167 8.040 10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.866 8.552 12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 72 24.357 7.642 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 72 26.038 8.489 11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.179 10.241 11.064 1.00 0.00 H new ATOM 1050 N THR A 73 20.693 5.688 10.230 1.00 0.00 N ATOM 1051 CA THR A 73 19.773 5.178 9.222 1.00 0.00 C ATOM 1052 C THR A 73 18.659 6.179 8.938 1.00 0.00 C ATOM 1053 O THR A 73 18.072 6.748 9.859 1.00 0.00 O ATOM 1054 CB THR A 73 19.146 3.840 9.658 1.00 0.00 C ATOM 1055 OG1 THR A 73 20.166 2.950 10.124 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.390 3.196 8.506 1.00 0.00 C ATOM 0 H THR A 73 20.244 6.194 10.993 1.00 0.00 H new ATOM 0 HA THR A 73 20.356 5.019 8.315 1.00 0.00 H new ATOM 0 HB THR A 73 18.442 4.040 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.759 2.102 10.401 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.956 2.253 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.595 3.864 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 73 19.076 3.009 7.680 1.00 0.00 H new ATOM 1064 N ILE A 74 18.372 6.391 7.658 1.00 0.00 N ATOM 1065 CA ILE A 74 17.327 7.323 7.253 1.00 0.00 C ATOM 1066 C ILE A 74 16.269 6.627 6.404 1.00 0.00 C ATOM 1067 O ILE A 74 16.539 6.202 5.280 1.00 0.00 O ATOM 1068 CB ILE A 74 17.906 8.509 6.461 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.849 9.329 7.344 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.785 9.384 5.920 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.717 10.295 6.568 1.00 0.00 C ATOM 0 H ILE A 74 18.849 5.930 6.883 1.00 0.00 H new ATOM 0 HA ILE A 74 16.867 7.698 8.167 1.00 0.00 H new ATOM 0 HB ILE A 74 18.475 8.119 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.259 9.887 8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.489 8.650 7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.211 10.218 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.149 8.794 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.191 9.768 6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.359 10.842 7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.333 9.742 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.084 10.998 6.027 1.00 0.00 H new ATOM 1083 N LYS A 75 15.061 6.515 6.947 1.00 0.00 N ATOM 1084 CA LYS A 75 13.959 5.874 6.239 1.00 0.00 C ATOM 1085 C LYS A 75 13.031 6.915 5.622 1.00 0.00 C ATOM 1086 O LYS A 75 12.663 7.895 6.269 1.00 0.00 O ATOM 1087 CB LYS A 75 13.171 4.972 7.191 1.00 0.00 C ATOM 1088 CG LYS A 75 13.956 3.766 7.677 1.00 0.00 C ATOM 1089 CD LYS A 75 13.126 2.897 8.606 1.00 0.00 C ATOM 1090 CE LYS A 75 14.002 1.960 9.424 1.00 0.00 C ATOM 1091 NZ LYS A 75 14.662 2.665 10.557 1.00 0.00 N ATOM 0 H LYS A 75 14.820 6.860 7.876 1.00 0.00 H new ATOM 0 HA LYS A 75 14.379 5.267 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.852 5.558 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.268 4.628 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.284 3.175 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.854 4.101 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.545 3.531 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.414 2.314 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.396 1.141 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.762 1.518 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.195 1.979 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.313 3.386 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.940 3.123 11.149 1.00 0.00 H new ATOM 1105 N VAL A 76 12.653 6.694 4.367 1.00 0.00 N ATOM 1106 CA VAL A 76 11.765 7.612 3.663 1.00 0.00 C ATOM 1107 C VAL A 76 10.635 6.859 2.969 1.00 0.00 C ATOM 1108 O VAL A 76 10.588 5.629 2.993 1.00 0.00 O ATOM 1109 CB VAL A 76 12.531 8.443 2.617 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.592 9.301 3.290 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.154 7.535 1.568 1.00 0.00 C ATOM 0 H VAL A 76 12.948 5.887 3.817 1.00 0.00 H new ATOM 0 HA VAL A 76 11.345 8.283 4.412 1.00 0.00 H new ATOM 0 HB VAL A 76 11.825 9.106 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.123 9.881 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.116 9.978 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.298 8.660 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.691 8.139 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.848 6.846 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.370 6.969 1.065 1.00 0.00 H new ATOM 1121 N ASP A 77 9.726 7.605 2.352 1.00 0.00 N ATOM 1122 CA ASP A 77 8.596 7.009 1.649 1.00 0.00 C ATOM 1123 C ASP A 77 9.068 6.226 0.427 1.00 0.00 C ATOM 1124 O ASP A 77 10.265 6.152 0.149 1.00 0.00 O ATOM 1125 CB ASP A 77 7.603 8.092 1.224 1.00 0.00 C ATOM 1126 CG ASP A 77 6.630 8.450 2.330 1.00 0.00 C ATOM 1127 OD1 ASP A 77 7.080 8.635 3.481 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.418 8.546 2.045 1.00 0.00 O ATOM 0 H ASP A 77 9.749 8.624 2.324 1.00 0.00 H new ATOM 0 HA ASP A 77 8.099 6.319 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.151 8.985 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.047 7.749 0.351 1.00 0.00 H new ATOM 1133 N TYR A 78 8.119 5.645 -0.299 1.00 0.00 N ATOM 1134 CA TYR A 78 8.438 4.865 -1.489 1.00 0.00 C ATOM 1135 C TYR A 78 8.533 5.762 -2.719 1.00 0.00 C ATOM 1136 O TYR A 78 9.069 5.364 -3.753 1.00 0.00 O ATOM 1137 CB TYR A 78 7.380 3.783 -1.713 1.00 0.00 C ATOM 1138 CG TYR A 78 5.972 4.325 -1.814 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.230 4.603 -0.673 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.384 4.560 -3.051 1.00 0.00 C ATOM 1141 CE1 TYR A 78 3.943 5.097 -0.760 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.098 5.056 -3.148 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.381 5.322 -2.000 1.00 0.00 C ATOM 1144 OH TYR A 78 2.100 5.816 -2.091 1.00 0.00 O ATOM 0 H TYR A 78 7.123 5.699 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 78 9.407 4.390 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.617 3.238 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.426 3.066 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.667 4.430 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.942 4.351 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.380 5.306 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.657 5.234 -4.117 1.00 0.00 H new ATOM 0 HH TYR A 78 1.855 5.918 -3.034 1.00 0.00 H new ATOM 1154 N LYS A 79 8.009 6.977 -2.598 1.00 0.00 N ATOM 1155 CA LYS A 79 8.035 7.935 -3.698 1.00 0.00 C ATOM 1156 C LYS A 79 9.331 8.739 -3.689 1.00 0.00 C ATOM 1157 O LYS A 79 9.341 9.920 -4.032 1.00 0.00 O ATOM 1158 CB LYS A 79 6.835 8.880 -3.606 1.00 0.00 C ATOM 1159 CG LYS A 79 5.524 8.243 -4.033 1.00 0.00 C ATOM 1160 CD LYS A 79 4.329 9.031 -3.524 1.00 0.00 C ATOM 1161 CE LYS A 79 3.089 8.767 -4.364 1.00 0.00 C ATOM 1162 NZ LYS A 79 1.878 9.411 -3.783 1.00 0.00 N ATOM 0 H LYS A 79 7.561 7.322 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 79 7.981 7.378 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.740 9.234 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.024 9.755 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.485 8.183 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.475 7.222 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.131 8.763 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.561 10.096 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.249 9.141 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.926 7.692 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.054 9.208 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.710 9.036 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.023 10.440 -3.731 1.00 0.00 H new ATOM 1176 N GLN A 80 10.422 8.090 -3.295 1.00 0.00 N ATOM 1177 CA GLN A 80 11.723 8.745 -3.242 1.00 0.00 C ATOM 1178 C GLN A 80 12.732 8.025 -4.131 1.00 0.00 C ATOM 1179 O GLN A 80 13.076 6.869 -3.884 1.00 0.00 O ATOM 1180 CB GLN A 80 12.236 8.793 -1.802 1.00 0.00 C ATOM 1181 CG GLN A 80 11.502 9.795 -0.927 1.00 0.00 C ATOM 1182 CD GLN A 80 11.274 11.122 -1.625 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.224 11.825 -1.972 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.011 11.472 -1.834 1.00 0.00 N ATOM 0 H GLN A 80 10.430 7.111 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 80 11.604 9.764 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.144 7.801 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.297 9.041 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.541 9.376 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.074 9.962 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.255 10.859 -1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.797 12.354 -2.299 1.00 0.00 H new ATOM 1193 N ARG A 81 13.202 8.715 -5.164 1.00 0.00 N ATOM 1194 CA ARG A 81 14.170 8.140 -6.090 1.00 0.00 C ATOM 1195 C ARG A 81 15.592 8.309 -5.564 1.00 0.00 C ATOM 1196 O ARG A 81 16.424 7.410 -5.692 1.00 0.00 O ATOM 1197 CB ARG A 81 14.043 8.796 -7.467 1.00 0.00 C ATOM 1198 CG ARG A 81 14.418 7.876 -8.617 1.00 0.00 C ATOM 1199 CD ARG A 81 15.922 7.849 -8.842 1.00 0.00 C ATOM 1200 NE ARG A 81 16.411 9.098 -9.420 1.00 0.00 N ATOM 1201 CZ ARG A 81 16.356 9.378 -10.717 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.836 8.503 -11.566 1.00 0.00 N ATOM 1203 NH2 ARG A 81 16.821 10.536 -11.168 1.00 0.00 N ATOM 0 H ARG A 81 12.928 9.673 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 81 13.959 7.075 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.017 9.136 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.679 9.681 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.062 6.867 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.919 8.208 -9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.427 7.666 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.175 7.020 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 81 16.817 9.793 -8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.477 7.612 -11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.795 8.721 -12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.221 11.213 -10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.778 10.750 -12.164 1.00 0.00 H new ATOM 1217 N TYR A 82 15.865 9.466 -4.972 1.00 0.00 N ATOM 1218 CA TYR A 82 17.187 9.754 -4.429 1.00 0.00 C ATOM 1219 C TYR A 82 17.084 10.600 -3.163 1.00 0.00 C ATOM 1220 O TYR A 82 16.053 11.219 -2.899 1.00 0.00 O ATOM 1221 CB TYR A 82 18.043 10.477 -5.470 1.00 0.00 C ATOM 1222 CG TYR A 82 17.721 11.948 -5.603 1.00 0.00 C ATOM 1223 CD1 TYR A 82 18.354 12.893 -4.804 1.00 0.00 C ATOM 1224 CD2 TYR A 82 16.784 12.394 -6.527 1.00 0.00 C ATOM 1225 CE1 TYR A 82 18.063 14.238 -4.921 1.00 0.00 C ATOM 1226 CE2 TYR A 82 16.488 13.738 -6.652 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.130 14.656 -5.846 1.00 0.00 C ATOM 1228 OH TYR A 82 16.836 15.995 -5.967 1.00 0.00 O ATOM 0 H TYR A 82 15.188 10.220 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 82 17.661 8.806 -4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.094 10.366 -5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.907 9.995 -6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 82 19.086 12.570 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 82 16.278 11.678 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 82 18.564 14.959 -4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 82 15.758 14.068 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 82 16.159 16.120 -6.665 1.00 0.00 H new ATOM 1238 N TYR A 83 18.160 10.622 -2.385 1.00 0.00 N ATOM 1239 CA TYR A 83 18.192 11.390 -1.146 1.00 0.00 C ATOM 1240 C TYR A 83 19.558 12.037 -0.941 1.00 0.00 C ATOM 1241 O TYR A 83 20.595 11.393 -1.105 1.00 0.00 O ATOM 1242 CB TYR A 83 17.857 10.490 0.045 1.00 0.00 C ATOM 1243 CG TYR A 83 17.630 11.249 1.333 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.695 11.601 2.152 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.350 11.615 1.730 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.493 12.294 3.329 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.138 12.310 2.905 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.212 12.646 3.702 1.00 0.00 C ATOM 1249 OH TYR A 83 17.006 13.338 4.873 1.00 0.00 O ATOM 0 H TYR A 83 19.022 10.117 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 83 17.444 12.179 -1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 83 16.963 9.911 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.669 9.778 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.699 11.328 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.506 11.352 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.333 12.559 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.136 12.589 3.198 1.00 0.00 H new ATOM 0 HH TYR A 83 16.048 13.509 4.988 1.00 0.00 H new ATOM 1259 N THR A 84 19.551 13.316 -0.578 1.00 0.00 N ATOM 1260 CA THR A 84 20.789 14.052 -0.350 1.00 0.00 C ATOM 1261 C THR A 84 21.145 14.082 1.131 1.00 0.00 C ATOM 1262 O THR A 84 20.462 14.723 1.931 1.00 0.00 O ATOM 1263 CB THR A 84 20.686 15.498 -0.872 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.312 15.494 -2.254 1.00 0.00 O ATOM 1265 CG2 THR A 84 22.009 16.230 -0.701 1.00 0.00 C ATOM 0 H THR A 84 18.702 13.864 -0.436 1.00 0.00 H new ATOM 0 HA THR A 84 21.573 13.531 -0.898 1.00 0.00 H new ATOM 0 HB THR A 84 19.924 16.018 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.247 16.417 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.912 17.249 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.276 16.256 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.787 15.710 -1.259 1.00 0.00 H new ATOM 1273 N ILE A 85 22.219 13.387 1.491 1.00 0.00 N ATOM 1274 CA ILE A 85 22.666 13.336 2.877 1.00 0.00 C ATOM 1275 C ILE A 85 23.670 14.446 3.172 1.00 0.00 C ATOM 1276 O ILE A 85 24.857 14.317 2.875 1.00 0.00 O ATOM 1277 CB ILE A 85 23.308 11.977 3.212 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.328 10.839 2.919 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.747 11.943 4.669 1.00 0.00 C ATOM 1280 CD1 ILE A 85 22.958 9.466 2.992 1.00 0.00 C ATOM 0 H ILE A 85 22.795 12.852 0.842 1.00 0.00 H new ATOM 0 HA ILE A 85 21.782 13.474 3.499 1.00 0.00 H new ATOM 0 HB ILE A 85 24.189 11.844 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.502 10.889 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.903 10.983 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.199 10.976 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.476 12.734 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.881 12.095 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.206 8.708 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.765 9.397 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.358 9.302 3.993 1.00 0.00 H new ATOM 1292 N GLU A 86 23.184 15.536 3.759 1.00 0.00 N ATOM 1293 CA GLU A 86 24.040 16.668 4.094 1.00 0.00 C ATOM 1294 C GLU A 86 24.545 16.561 5.530 1.00 0.00 C ATOM 1295 O GLU A 86 24.172 15.647 6.264 1.00 0.00 O ATOM 1296 CB GLU A 86 23.280 17.983 3.906 1.00 0.00 C ATOM 1297 CG GLU A 86 22.872 18.249 2.466 1.00 0.00 C ATOM 1298 CD GLU A 86 21.708 19.215 2.359 1.00 0.00 C ATOM 1299 OE1 GLU A 86 20.595 18.854 2.796 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.911 20.332 1.838 1.00 0.00 O ATOM 0 H GLU A 86 22.203 15.659 4.012 1.00 0.00 H new ATOM 0 HA GLU A 86 24.899 16.653 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.387 17.970 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.903 18.806 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.725 18.651 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.603 17.307 1.989 1.00 0.00 H new ATOM 1307 N ASN A 87 25.398 17.502 5.922 1.00 0.00 N ATOM 1308 CA ASN A 87 25.956 17.514 7.270 1.00 0.00 C ATOM 1309 C ASN A 87 26.942 16.365 7.460 1.00 0.00 C ATOM 1310 O ASN A 87 26.919 15.675 8.480 1.00 0.00 O ATOM 1311 CB ASN A 87 24.837 17.418 8.309 1.00 0.00 C ATOM 1312 CG ASN A 87 23.679 18.346 7.999 1.00 0.00 C ATOM 1313 OD1 ASN A 87 22.663 17.820 7.324 1.00 0.00 O flip ATOM 1314 ND2 ASN A 87 23.697 19.522 8.362 1.00 0.00 N flip ATOM 0 H ASN A 87 25.718 18.266 5.326 1.00 0.00 H new ATOM 0 HA ASN A 87 26.490 18.454 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.474 16.391 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.238 17.658 9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 87 24.499 19.884 8.879 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.910 20.134 8.146 1.00 0.00 H new ATOM 1321 N LEU A 88 27.807 16.166 6.472 1.00 0.00 N ATOM 1322 CA LEU A 88 28.803 15.102 6.530 1.00 0.00 C ATOM 1323 C LEU A 88 30.215 15.678 6.562 1.00 0.00 C ATOM 1324 O LEU A 88 30.411 16.879 6.374 1.00 0.00 O ATOM 1325 CB LEU A 88 28.649 14.166 5.330 1.00 0.00 C ATOM 1326 CG LEU A 88 27.347 13.368 5.264 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.209 12.681 3.914 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.288 12.348 6.392 1.00 0.00 C ATOM 0 H LEU A 88 27.839 16.727 5.621 1.00 0.00 H new ATOM 0 HA LEU A 88 28.641 14.536 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.735 14.759 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.482 13.464 5.333 1.00 0.00 H new ATOM 0 HG LEU A 88 26.513 14.060 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.276 12.118 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.204 13.431 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.048 12.001 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.354 11.789 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.129 11.660 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.339 12.863 7.351 1.00 0.00 H new ATOM 1340 N ASP A 89 31.196 14.814 6.800 1.00 0.00 N ATOM 1341 CA ASP A 89 32.591 15.236 6.853 1.00 0.00 C ATOM 1342 C ASP A 89 33.305 14.918 5.543 1.00 0.00 C ATOM 1343 O ASP A 89 33.351 13.772 5.095 1.00 0.00 O ATOM 1344 CB ASP A 89 33.308 14.553 8.019 1.00 0.00 C ATOM 1345 CG ASP A 89 34.654 15.184 8.319 1.00 0.00 C ATOM 1346 OD1 ASP A 89 34.676 16.353 8.759 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.685 14.509 8.115 1.00 0.00 O ATOM 0 H ASP A 89 31.051 13.817 6.959 1.00 0.00 H new ATOM 0 HA ASP A 89 32.614 16.315 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.680 14.604 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.448 13.497 7.788 1.00 0.00 H new ATOM 1352 N PRO A 90 33.875 15.956 4.913 1.00 0.00 N ATOM 1353 CA PRO A 90 34.597 15.812 3.645 1.00 0.00 C ATOM 1354 C PRO A 90 35.914 15.063 3.810 1.00 0.00 C ATOM 1355 O PRO A 90 36.478 15.013 4.903 1.00 0.00 O ATOM 1356 CB PRO A 90 34.855 17.260 3.218 1.00 0.00 C ATOM 1357 CG PRO A 90 34.848 18.037 4.489 1.00 0.00 C ATOM 1358 CD PRO A 90 33.859 17.349 5.389 1.00 0.00 C ATOM 0 HA PRO A 90 34.030 15.232 2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.810 17.356 2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.084 17.614 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.840 18.055 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.559 19.073 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.153 17.419 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.866 17.790 5.306 1.00 0.00 H new ATOM 1366 N SER A 91 36.400 14.482 2.717 1.00 0.00 N ATOM 1367 CA SER A 91 37.650 13.732 2.742 1.00 0.00 C ATOM 1368 C SER A 91 37.527 12.500 3.633 1.00 0.00 C ATOM 1369 O SER A 91 38.395 12.231 4.463 1.00 0.00 O ATOM 1370 CB SER A 91 38.793 14.620 3.236 1.00 0.00 C ATOM 1371 OG SER A 91 40.026 13.922 3.220 1.00 0.00 O ATOM 0 H SER A 91 35.947 14.517 1.804 1.00 0.00 H new ATOM 0 HA SER A 91 37.868 13.404 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.866 15.507 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.579 14.963 4.248 1.00 0.00 H new ATOM 0 HG SER A 91 39.941 13.096 3.741 1.00 0.00 H new ATOM 1377 N SER A 92 36.441 11.754 3.455 1.00 0.00 N ATOM 1378 CA SER A 92 36.201 10.552 4.245 1.00 0.00 C ATOM 1379 C SER A 92 35.291 9.583 3.497 1.00 0.00 C ATOM 1380 O SER A 92 34.343 9.995 2.827 1.00 0.00 O ATOM 1381 CB SER A 92 35.576 10.919 5.593 1.00 0.00 C ATOM 1382 OG SER A 92 36.570 11.291 6.532 1.00 0.00 O ATOM 0 H SER A 92 35.714 11.961 2.771 1.00 0.00 H new ATOM 0 HA SER A 92 37.160 10.063 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.872 11.740 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.008 10.072 5.977 1.00 0.00 H new ATOM 0 HG SER A 92 37.351 11.646 6.058 1.00 0.00 H new ATOM 1388 N HIS A 93 35.586 8.292 3.615 1.00 0.00 N ATOM 1389 CA HIS A 93 34.795 7.263 2.951 1.00 0.00 C ATOM 1390 C HIS A 93 33.514 6.975 3.728 1.00 0.00 C ATOM 1391 O HIS A 93 33.534 6.854 4.953 1.00 0.00 O ATOM 1392 CB HIS A 93 35.613 5.980 2.799 1.00 0.00 C ATOM 1393 CG HIS A 93 34.781 4.772 2.496 1.00 0.00 C ATOM 1394 ND1 HIS A 93 33.710 4.616 1.683 1.00 0.00 N flip ATOM 1395 CD2 HIS A 93 35.016 3.535 3.060 1.00 0.00 C flip ATOM 1396 CE1 HIS A 93 33.322 3.301 1.769 1.00 0.00 C flip ATOM 1397 NE2 HIS A 93 34.126 2.671 2.606 1.00 0.00 N flip ATOM 0 H HIS A 93 36.367 7.934 4.164 1.00 0.00 H new ATOM 0 HA HIS A 93 34.523 7.631 1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.344 6.117 2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.173 5.805 3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 93 35.804 3.309 3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 93 32.494 2.855 1.238 1.00 0.00 H new ATOM 0 HE2 HIS A 93 34.069 1.685 2.859 1.00 0.00 H new ATOM 1406 N TYR A 94 32.403 6.868 3.009 1.00 0.00 N ATOM 1407 CA TYR A 94 31.112 6.598 3.631 1.00 0.00 C ATOM 1408 C TYR A 94 30.422 5.413 2.962 1.00 0.00 C ATOM 1409 O TYR A 94 30.320 5.349 1.737 1.00 0.00 O ATOM 1410 CB TYR A 94 30.216 7.835 3.554 1.00 0.00 C ATOM 1411 CG TYR A 94 30.441 8.817 4.681 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.460 9.760 4.615 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.634 8.803 5.812 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.669 10.658 5.643 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.835 9.698 6.844 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.854 10.624 6.755 1.00 0.00 C ATOM 1417 OH TYR A 94 31.059 11.518 7.781 1.00 0.00 O ATOM 0 H TYR A 94 32.370 6.964 1.994 1.00 0.00 H new ATOM 0 HA TYR A 94 31.287 6.349 4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.389 8.340 2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.173 7.519 3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.099 9.791 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.836 8.079 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.467 11.383 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.198 9.673 7.716 1.00 0.00 H new ATOM 0 HH TYR A 94 30.399 11.361 8.488 1.00 0.00 H new ATOM 1427 N VAL A 95 29.948 4.475 3.777 1.00 0.00 N ATOM 1428 CA VAL A 95 29.265 3.293 3.266 1.00 0.00 C ATOM 1429 C VAL A 95 27.752 3.477 3.293 1.00 0.00 C ATOM 1430 O VAL A 95 27.166 3.725 4.347 1.00 0.00 O ATOM 1431 CB VAL A 95 29.633 2.037 4.079 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.906 0.817 3.535 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.138 1.820 4.071 1.00 0.00 C ATOM 0 H VAL A 95 30.025 4.511 4.793 1.00 0.00 H new ATOM 0 HA VAL A 95 29.593 3.159 2.235 1.00 0.00 H new ATOM 0 HB VAL A 95 29.317 2.187 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.178 -0.060 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.830 0.976 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.188 0.659 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.380 0.929 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.481 1.691 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.633 2.685 4.513 1.00 0.00 H new ATOM 1443 N ILE A 96 27.126 3.355 2.128 1.00 0.00 N ATOM 1444 CA ILE A 96 25.680 3.507 2.018 1.00 0.00 C ATOM 1445 C ILE A 96 25.013 2.181 1.667 1.00 0.00 C ATOM 1446 O ILE A 96 25.479 1.450 0.792 1.00 0.00 O ATOM 1447 CB ILE A 96 25.303 4.555 0.955 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.915 5.913 1.307 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.791 4.665 0.833 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.386 6.018 0.972 1.00 0.00 C ATOM 0 H ILE A 96 27.597 3.151 1.246 1.00 0.00 H new ATOM 0 HA ILE A 96 25.324 3.844 2.991 1.00 0.00 H new ATOM 0 HB ILE A 96 25.703 4.236 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.373 6.695 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.779 6.098 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.540 5.410 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.378 3.699 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.369 4.965 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.752 7.007 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 96 27.940 5.258 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.527 5.865 -0.098 1.00 0.00 H new ATOM 1462 N THR A 97 23.917 1.875 2.355 1.00 0.00 N ATOM 1463 CA THR A 97 23.185 0.638 2.117 1.00 0.00 C ATOM 1464 C THR A 97 21.696 0.907 1.935 1.00 0.00 C ATOM 1465 O THR A 97 21.135 1.803 2.567 1.00 0.00 O ATOM 1466 CB THR A 97 23.378 -0.361 3.273 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.139 0.289 4.527 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.783 -0.943 3.257 1.00 0.00 C ATOM 0 H THR A 97 23.517 2.468 3.082 1.00 0.00 H new ATOM 0 HA THR A 97 23.587 0.204 1.202 1.00 0.00 H new ATOM 0 HB THR A 97 22.664 -1.174 3.144 1.00 0.00 H new ATOM 0 HG1 THR A 97 22.946 -0.384 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.895 -1.646 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 97 24.951 -1.462 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.511 -0.139 3.363 1.00 0.00 H new ATOM 1476 N LEU A 98 21.059 0.126 1.069 1.00 0.00 N ATOM 1477 CA LEU A 98 19.633 0.280 0.805 1.00 0.00 C ATOM 1478 C LEU A 98 18.940 -1.078 0.749 1.00 0.00 C ATOM 1479 O LEU A 98 19.449 -2.022 0.144 1.00 0.00 O ATOM 1480 CB LEU A 98 19.416 1.031 -0.510 1.00 0.00 C ATOM 1481 CG LEU A 98 17.987 1.031 -1.054 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.199 2.201 -0.486 1.00 0.00 C ATOM 1483 CD2 LEU A 98 17.996 1.080 -2.575 1.00 0.00 C ATOM 0 H LEU A 98 21.508 -0.620 0.538 1.00 0.00 H new ATOM 0 HA LEU A 98 19.197 0.856 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.731 2.065 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.071 0.597 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 98 17.500 0.107 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.185 2.184 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.163 2.122 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.684 3.136 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.971 1.079 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.501 1.987 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.523 0.209 -2.964 1.00 0.00 H new ATOM 1495 N LYS A 99 17.776 -1.169 1.381 1.00 0.00 N ATOM 1496 CA LYS A 99 17.010 -2.410 1.401 1.00 0.00 C ATOM 1497 C LYS A 99 15.519 -2.132 1.242 1.00 0.00 C ATOM 1498 O LYS A 99 14.964 -1.265 1.917 1.00 0.00 O ATOM 1499 CB LYS A 99 17.261 -3.168 2.707 1.00 0.00 C ATOM 1500 CG LYS A 99 16.707 -2.465 3.934 1.00 0.00 C ATOM 1501 CD LYS A 99 16.818 -3.337 5.173 1.00 0.00 C ATOM 1502 CE LYS A 99 18.138 -3.114 5.896 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.193 -1.777 6.549 1.00 0.00 N ATOM 0 H LYS A 99 17.341 -0.397 1.887 1.00 0.00 H new ATOM 0 HA LYS A 99 17.339 -3.024 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.814 -4.159 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.334 -3.311 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.247 -1.532 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.663 -2.204 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.991 -3.118 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.730 -4.386 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.276 -3.891 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.961 -3.206 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.922 -1.782 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.426 -1.053 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.269 -1.560 6.974 1.00 0.00 H new ATOM 1517 N ALA A 100 14.876 -2.873 0.345 1.00 0.00 N ATOM 1518 CA ALA A 100 13.448 -2.708 0.100 1.00 0.00 C ATOM 1519 C ALA A 100 12.622 -3.439 1.152 1.00 0.00 C ATOM 1520 O ALA A 100 12.768 -4.647 1.341 1.00 0.00 O ATOM 1521 CB ALA A 100 13.091 -3.204 -1.293 1.00 0.00 C ATOM 0 H ALA A 100 15.321 -3.593 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 100 13.214 -1.646 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.022 -3.075 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.648 -2.633 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.347 -4.260 -1.380 1.00 0.00 H new ATOM 1527 N PHE A 101 11.755 -2.700 1.837 1.00 0.00 N ATOM 1528 CA PHE A 101 10.907 -3.279 2.872 1.00 0.00 C ATOM 1529 C PHE A 101 9.435 -2.989 2.594 1.00 0.00 C ATOM 1530 O PHE A 101 9.104 -2.101 1.810 1.00 0.00 O ATOM 1531 CB PHE A 101 11.297 -2.730 4.246 1.00 0.00 C ATOM 1532 CG PHE A 101 10.893 -1.299 4.457 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.568 -0.967 4.692 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.837 -0.286 4.419 1.00 0.00 C ATOM 1535 CE1 PHE A 101 9.193 0.349 4.886 1.00 0.00 C ATOM 1536 CE2 PHE A 101 11.468 1.032 4.613 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.144 1.350 4.846 1.00 0.00 C ATOM 0 H PHE A 101 11.622 -1.699 1.694 1.00 0.00 H new ATOM 0 HA PHE A 101 11.053 -4.359 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.837 -3.347 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.377 -2.816 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.820 -1.745 4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.873 -0.529 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.157 0.595 5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.214 1.812 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.853 2.379 4.997 1.00 0.00 H new ATOM 1547 N ASN A 102 8.556 -3.745 3.244 1.00 0.00 N ATOM 1548 CA ASN A 102 7.119 -3.570 3.067 1.00 0.00 C ATOM 1549 C ASN A 102 6.350 -4.159 4.246 1.00 0.00 C ATOM 1550 O ASN A 102 6.944 -4.626 5.216 1.00 0.00 O ATOM 1551 CB ASN A 102 6.661 -4.229 1.765 1.00 0.00 C ATOM 1552 CG ASN A 102 6.672 -5.743 1.848 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.158 -6.319 2.821 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.134 -6.395 0.823 1.00 0.00 N ATOM 0 H ASN A 102 8.814 -4.484 3.898 1.00 0.00 H new ATOM 0 HA ASN A 102 6.911 -2.501 3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.654 -3.888 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.310 -3.908 0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.112 -7.415 0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.743 -5.876 0.037 1.00 0.00 H new ATOM 1561 N ASN A 103 5.025 -4.132 4.153 1.00 0.00 N ATOM 1562 CA ASN A 103 4.174 -4.664 5.212 1.00 0.00 C ATOM 1563 C ASN A 103 4.584 -6.087 5.577 1.00 0.00 C ATOM 1564 O ASN A 103 4.501 -6.490 6.737 1.00 0.00 O ATOM 1565 CB ASN A 103 2.707 -4.639 4.776 1.00 0.00 C ATOM 1566 CG ASN A 103 1.755 -4.568 5.955 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.963 -5.223 6.976 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.703 -3.769 5.818 1.00 0.00 N ATOM 0 H ASN A 103 4.517 -3.748 3.356 1.00 0.00 H new ATOM 0 HA ASN A 103 4.295 -4.034 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.539 -3.781 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.490 -5.532 4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.028 -3.680 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.570 -3.244 4.953 1.00 0.00 H new ATOM 1575 N VAL A 104 5.027 -6.844 4.578 1.00 0.00 N ATOM 1576 CA VAL A 104 5.452 -8.222 4.793 1.00 0.00 C ATOM 1577 C VAL A 104 6.693 -8.283 5.675 1.00 0.00 C ATOM 1578 O VAL A 104 6.747 -9.047 6.638 1.00 0.00 O ATOM 1579 CB VAL A 104 5.748 -8.933 3.459 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.136 -10.383 3.701 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.548 -8.841 2.529 1.00 0.00 C ATOM 0 H VAL A 104 5.101 -6.526 3.612 1.00 0.00 H new ATOM 0 HA VAL A 104 4.629 -8.732 5.293 1.00 0.00 H new ATOM 0 HB VAL A 104 6.589 -8.433 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.341 -10.869 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.027 -10.421 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.318 -10.900 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.775 -9.348 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.686 -9.315 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.322 -7.794 2.329 1.00 0.00 H new ATOM 1591 N GLY A 105 7.691 -7.470 5.341 1.00 0.00 N ATOM 1592 CA GLY A 105 8.920 -7.446 6.113 1.00 0.00 C ATOM 1593 C GLY A 105 9.987 -6.578 5.478 1.00 0.00 C ATOM 1594 O GLY A 105 9.732 -5.425 5.130 1.00 0.00 O ATOM 0 H GLY A 105 7.670 -6.827 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.707 -7.079 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.299 -8.463 6.219 1.00 0.00 H new ATOM 1598 N GLU A 106 11.187 -7.131 5.328 1.00 0.00 N ATOM 1599 CA GLU A 106 12.297 -6.397 4.733 1.00 0.00 C ATOM 1600 C GLU A 106 13.009 -7.245 3.683 1.00 0.00 C ATOM 1601 O GLU A 106 12.922 -8.472 3.697 1.00 0.00 O ATOM 1602 CB GLU A 106 13.289 -5.964 5.814 1.00 0.00 C ATOM 1603 CG GLU A 106 12.630 -5.322 7.023 1.00 0.00 C ATOM 1604 CD GLU A 106 13.624 -4.607 7.918 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.358 -3.733 7.412 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.668 -4.923 9.126 1.00 0.00 O ATOM 0 H GLU A 106 11.415 -8.084 5.610 1.00 0.00 H new ATOM 0 HA GLU A 106 11.893 -5.510 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.860 -6.833 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.000 -5.260 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.874 -4.613 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.113 -6.089 7.600 1.00 0.00 H new ATOM 1613 N GLY A 107 13.714 -6.580 2.773 1.00 0.00 N ATOM 1614 CA GLY A 107 14.431 -7.288 1.727 1.00 0.00 C ATOM 1615 C GLY A 107 15.926 -7.322 1.971 1.00 0.00 C ATOM 1616 O GLY A 107 16.391 -7.006 3.067 1.00 0.00 O ATOM 0 H GLY A 107 13.802 -5.564 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.054 -8.308 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.233 -6.810 0.768 1.00 0.00 H new ATOM 1620 N ILE A 108 16.682 -7.709 0.949 1.00 0.00 N ATOM 1621 CA ILE A 108 18.134 -7.784 1.059 1.00 0.00 C ATOM 1622 C ILE A 108 18.777 -6.430 0.781 1.00 0.00 C ATOM 1623 O ILE A 108 18.569 -5.820 -0.268 1.00 0.00 O ATOM 1624 CB ILE A 108 18.718 -8.827 0.087 1.00 0.00 C ATOM 1625 CG1 ILE A 108 17.799 -10.047 0.001 1.00 0.00 C ATOM 1626 CG2 ILE A 108 20.114 -9.238 0.529 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.769 -10.872 1.269 1.00 0.00 C ATOM 0 H ILE A 108 16.314 -7.975 0.036 1.00 0.00 H new ATOM 0 HA ILE A 108 18.358 -8.086 2.082 1.00 0.00 H new ATOM 0 HB ILE A 108 18.789 -8.379 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 108 16.787 -9.714 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.123 -10.679 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.514 -9.975 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.764 -8.363 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 108 20.067 -9.671 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 108 17.097 -11.720 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 108 18.773 -11.235 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 108 17.416 -10.256 2.096 1.00 0.00 H new ATOM 1639 N PRO A 109 19.579 -5.948 1.742 1.00 0.00 N ATOM 1640 CA PRO A 109 20.272 -4.661 1.623 1.00 0.00 C ATOM 1641 C PRO A 109 21.381 -4.694 0.577 1.00 0.00 C ATOM 1642 O PRO A 109 21.767 -5.763 0.100 1.00 0.00 O ATOM 1643 CB PRO A 109 20.859 -4.444 3.020 1.00 0.00 C ATOM 1644 CG PRO A 109 21.007 -5.815 3.585 1.00 0.00 C ATOM 1645 CD PRO A 109 19.872 -6.622 3.018 1.00 0.00 C ATOM 0 HA PRO A 109 19.601 -3.865 1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.819 -3.930 2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.201 -3.831 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.969 -6.248 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.965 -5.795 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.156 -7.663 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.007 -6.620 3.681 1.00 0.00 H new ATOM 1653 N LEU A 110 21.891 -3.519 0.225 1.00 0.00 N ATOM 1654 CA LEU A 110 22.957 -3.414 -0.765 1.00 0.00 C ATOM 1655 C LEU A 110 24.211 -2.800 -0.151 1.00 0.00 C ATOM 1656 O LEU A 110 24.213 -2.402 1.015 1.00 0.00 O ATOM 1657 CB LEU A 110 22.494 -2.573 -1.955 1.00 0.00 C ATOM 1658 CG LEU A 110 21.498 -3.242 -2.903 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.894 -2.219 -3.852 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.173 -4.361 -3.682 1.00 0.00 C ATOM 0 H LEU A 110 21.584 -2.626 0.610 1.00 0.00 H new ATOM 0 HA LEU A 110 23.198 -4.419 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.043 -1.657 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.372 -2.280 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 110 20.694 -3.674 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.188 -2.714 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.374 -1.452 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.686 -1.757 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.449 -4.826 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.997 -3.952 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.557 -5.108 -2.987 1.00 0.00 H new ATOM 1672 N TYR A 111 25.275 -2.724 -0.942 1.00 0.00 N ATOM 1673 CA TYR A 111 26.536 -2.158 -0.477 1.00 0.00 C ATOM 1674 C TYR A 111 27.137 -1.230 -1.527 1.00 0.00 C ATOM 1675 O TYR A 111 27.337 -1.623 -2.676 1.00 0.00 O ATOM 1676 CB TYR A 111 27.526 -3.274 -0.139 1.00 0.00 C ATOM 1677 CG TYR A 111 27.388 -3.799 1.273 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.292 -4.568 1.645 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.354 -3.526 2.234 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.162 -5.049 2.934 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.232 -4.004 3.524 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.134 -4.765 3.869 1.00 0.00 C ATOM 1683 OH TYR A 111 27.009 -5.243 5.153 1.00 0.00 O ATOM 0 H TYR A 111 25.290 -3.047 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 111 26.334 -1.576 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.385 -4.097 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.541 -2.904 -0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.529 -4.794 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.214 -2.930 1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.303 -5.644 3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 111 28.992 -3.783 4.259 1.00 0.00 H new ATOM 0 HH TYR A 111 27.779 -4.954 5.686 1.00 0.00 H new ATOM 1693 N GLU A 112 27.424 0.003 -1.124 1.00 0.00 N ATOM 1694 CA GLU A 112 28.003 0.988 -2.030 1.00 0.00 C ATOM 1695 C GLU A 112 29.160 1.727 -1.364 1.00 0.00 C ATOM 1696 O GLU A 112 29.432 1.536 -0.178 1.00 0.00 O ATOM 1697 CB GLU A 112 26.937 1.988 -2.481 1.00 0.00 C ATOM 1698 CG GLU A 112 26.205 1.570 -3.745 1.00 0.00 C ATOM 1699 CD GLU A 112 27.146 1.089 -4.832 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.941 1.912 -5.333 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.088 -0.108 -5.181 1.00 0.00 O ATOM 0 H GLU A 112 27.265 0.344 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 112 28.387 0.459 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.212 2.120 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.407 2.957 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.497 0.776 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.624 2.413 -4.119 1.00 0.00 H new ATOM 1708 N SER A 113 29.838 2.571 -2.135 1.00 0.00 N ATOM 1709 CA SER A 113 30.969 3.336 -1.622 1.00 0.00 C ATOM 1710 C SER A 113 30.931 4.772 -2.135 1.00 0.00 C ATOM 1711 O SER A 113 30.687 5.014 -3.316 1.00 0.00 O ATOM 1712 CB SER A 113 32.286 2.672 -2.027 1.00 0.00 C ATOM 1713 OG SER A 113 32.384 2.550 -3.435 1.00 0.00 O ATOM 0 H SER A 113 29.624 2.743 -3.117 1.00 0.00 H new ATOM 0 HA SER A 113 30.900 3.356 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.124 3.259 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.356 1.686 -1.568 1.00 0.00 H new ATOM 0 HG SER A 113 33.235 2.124 -3.668 1.00 0.00 H new ATOM 1719 N ALA A 114 31.173 5.721 -1.236 1.00 0.00 N ATOM 1720 CA ALA A 114 31.169 7.133 -1.597 1.00 0.00 C ATOM 1721 C ALA A 114 32.211 7.907 -0.797 1.00 0.00 C ATOM 1722 O ALA A 114 32.110 8.023 0.425 1.00 0.00 O ATOM 1723 CB ALA A 114 29.785 7.729 -1.381 1.00 0.00 C ATOM 0 H ALA A 114 31.374 5.537 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 114 31.427 7.213 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.796 8.784 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.061 7.201 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.506 7.629 -0.332 1.00 0.00 H new ATOM 1729 N VAL A 115 33.212 8.436 -1.493 1.00 0.00 N ATOM 1730 CA VAL A 115 34.273 9.199 -0.847 1.00 0.00 C ATOM 1731 C VAL A 115 34.066 10.698 -1.037 1.00 0.00 C ATOM 1732 O VAL A 115 34.349 11.245 -2.103 1.00 0.00 O ATOM 1733 CB VAL A 115 35.659 8.810 -1.396 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.749 9.632 -0.725 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.908 7.322 -1.205 1.00 0.00 C ATOM 0 H VAL A 115 33.310 8.350 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 115 34.232 8.961 0.216 1.00 0.00 H new ATOM 0 HB VAL A 115 35.681 9.025 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.721 9.343 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.577 10.691 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.731 9.451 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.891 7.064 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.867 7.080 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.144 6.754 -1.737 1.00 0.00 H new ATOM 1745 N THR A 116 33.569 11.358 0.004 1.00 0.00 N ATOM 1746 CA THR A 116 33.322 12.794 -0.048 1.00 0.00 C ATOM 1747 C THR A 116 34.529 13.539 -0.606 1.00 0.00 C ATOM 1748 O THR A 116 35.673 13.143 -0.381 1.00 0.00 O ATOM 1749 CB THR A 116 32.985 13.356 1.346 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.010 13.000 2.279 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.643 12.829 1.832 1.00 0.00 C ATOM 0 H THR A 116 33.329 10.921 0.894 1.00 0.00 H new ATOM 0 HA THR A 116 32.468 12.945 -0.709 1.00 0.00 H new ATOM 0 HB THR A 116 32.925 14.442 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.691 13.159 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.426 13.240 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.860 13.128 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.679 11.741 1.892 1.00 0.00 H new ATOM 1759 N ARG A 117 34.267 14.619 -1.334 1.00 0.00 N ATOM 1760 CA ARG A 117 35.333 15.419 -1.925 1.00 0.00 C ATOM 1761 C ARG A 117 36.036 16.258 -0.862 1.00 0.00 C ATOM 1762 O ARG A 117 35.490 16.536 0.206 1.00 0.00 O ATOM 1763 CB ARG A 117 34.770 16.330 -3.018 1.00 0.00 C ATOM 1764 CG ARG A 117 34.618 15.643 -4.365 1.00 0.00 C ATOM 1765 CD ARG A 117 34.282 16.639 -5.464 1.00 0.00 C ATOM 1766 NE ARG A 117 35.443 17.433 -5.856 1.00 0.00 N ATOM 1767 CZ ARG A 117 35.544 18.062 -7.022 1.00 0.00 C ATOM 1768 NH1 ARG A 117 34.558 17.989 -7.905 1.00 0.00 N ATOM 1769 NH2 ARG A 117 36.632 18.766 -7.306 1.00 0.00 N ATOM 0 H ARG A 117 33.326 14.960 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 117 36.061 14.739 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.798 16.707 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.425 17.194 -3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.542 15.122 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.833 14.889 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.898 16.104 -6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 117 33.488 17.302 -5.122 1.00 0.00 H new ATOM 0 HE ARG A 117 36.219 17.509 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 117 33.720 17.449 -7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 117 34.638 18.473 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 117 37.392 18.825 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 117 36.708 19.248 -8.202 1.00 0.00 H new ATOM 1783 N PRO A 118 37.278 16.670 -1.158 1.00 0.00 N ATOM 1784 CA PRO A 118 38.082 17.482 -0.241 1.00 0.00 C ATOM 1785 C PRO A 118 37.541 18.900 -0.095 1.00 0.00 C ATOM 1786 O PRO A 118 37.465 19.650 -1.069 1.00 0.00 O ATOM 1787 CB PRO A 118 39.463 17.502 -0.903 1.00 0.00 C ATOM 1788 CG PRO A 118 39.192 17.278 -2.350 1.00 0.00 C ATOM 1789 CD PRO A 118 37.991 16.375 -2.412 1.00 0.00 C ATOM 0 HA PRO A 118 38.084 17.074 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.968 18.454 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.109 16.724 -0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.998 18.221 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.050 16.820 -2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.373 16.587 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.280 15.326 -2.473 1.00 0.00 H new