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 Set 1.1: A 92 SER OG : rot -89:sc= -0.15 USER MOD Set 1.2: A 116 THR OG1 : rot -153:sc= -1.94! USER MOD Set 2.1: A 64 TYR OH : rot 180:sc= -0.158 USER MOD Set 2.2: A 72 GLN : amide:sc= -0.168 X(o=-0.33,f=-0.5) USER MOD Set 3.1: A 32 SER OG : rot 166:sc= 0.769 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 48 THR OG1 : rot 123:sc= 1.23 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.85) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.289 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.335 K(o=-0.33,f=-2.9!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.521 F(o=-0.11,f=0.52) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.1 F(o=-0.63,f=-0.1) 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= -6.57! C(o=-6.6!,f=-8!) 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= -1.09 X(o=-1.1,f=-0.76) USER MOD Single : A 91 SER OG : rot -60:sc= 0.00292 USER MOD Single : A 93 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0239 USER MOD Single : A 97 THR OG1 : rot -52:sc= 0.757 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 103 ASN : amide:sc= -1.19! C(o=-1.2!,f=-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 ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.110 -7.750 -4.991 1.00 0.00 N ATOM 287 CA ASP A 23 1.560 -8.859 -4.157 1.00 0.00 C ATOM 288 C ASP A 23 2.170 -8.347 -2.856 1.00 0.00 C ATOM 289 O ASP A 23 3.191 -7.659 -2.867 1.00 0.00 O ATOM 290 CB ASP A 23 2.581 -9.711 -4.913 1.00 0.00 C ATOM 291 CG ASP A 23 1.923 -10.736 -5.816 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.573 -11.826 -5.319 1.00 0.00 O ATOM 293 OD2 ASP A 23 1.760 -10.448 -7.021 1.00 0.00 O ATOM 0 HA ASP A 23 0.694 -9.474 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.221 -9.062 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.225 -10.222 -4.197 1.00 0.00 H new ATOM 298 N GLU A 24 1.537 -8.686 -1.738 1.00 0.00 N ATOM 299 CA GLU A 24 2.018 -8.259 -0.429 1.00 0.00 C ATOM 300 C GLU A 24 2.152 -9.449 0.516 1.00 0.00 C ATOM 301 O GLU A 24 1.933 -9.327 1.722 1.00 0.00 O ATOM 302 CB GLU A 24 1.069 -7.220 0.173 1.00 0.00 C ATOM 303 CG GLU A 24 1.696 -6.395 1.284 1.00 0.00 C ATOM 304 CD GLU A 24 1.479 -7.003 2.656 1.00 0.00 C ATOM 305 OE1 GLU A 24 0.311 -7.268 3.009 1.00 0.00 O ATOM 306 OE2 GLU A 24 2.477 -7.214 3.377 1.00 0.00 O ATOM 0 H GLU A 24 0.691 -9.255 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 24 3.002 -7.809 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.728 -6.551 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.187 -7.728 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.766 -6.297 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.276 -5.389 1.266 1.00 0.00 H new ATOM 313 N THR A 25 2.514 -10.601 -0.040 1.00 0.00 N ATOM 314 CA THR A 25 2.676 -11.814 0.752 1.00 0.00 C ATOM 315 C THR A 25 4.144 -12.071 1.070 1.00 0.00 C ATOM 316 O THR A 25 4.470 -12.910 1.909 1.00 0.00 O ATOM 317 CB THR A 25 2.098 -13.042 0.023 1.00 0.00 C ATOM 318 OG1 THR A 25 2.730 -13.197 -1.252 1.00 0.00 O ATOM 319 CG2 THR A 25 0.595 -12.902 -0.163 1.00 0.00 C ATOM 0 H THR A 25 2.701 -10.719 -1.036 1.00 0.00 H new ATOM 0 HA THR A 25 2.127 -11.660 1.681 1.00 0.00 H new ATOM 0 HB THR A 25 2.292 -13.924 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.358 -13.981 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.209 -13.781 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.114 -12.814 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.383 -12.011 -0.754 1.00 0.00 H new ATOM 327 N ARG A 26 5.027 -11.342 0.395 1.00 0.00 N ATOM 328 CA ARG A 26 6.462 -11.492 0.606 1.00 0.00 C ATOM 329 C ARG A 26 7.164 -10.138 0.549 1.00 0.00 C ATOM 330 O ARG A 26 6.684 -9.205 -0.094 1.00 0.00 O ATOM 331 CB ARG A 26 7.058 -12.432 -0.444 1.00 0.00 C ATOM 332 CG ARG A 26 7.199 -11.799 -1.819 1.00 0.00 C ATOM 333 CD ARG A 26 8.284 -12.481 -2.637 1.00 0.00 C ATOM 334 NE ARG A 26 9.611 -12.285 -2.058 1.00 0.00 N ATOM 335 CZ ARG A 26 10.634 -13.104 -2.274 1.00 0.00 C ATOM 336 NH1 ARG A 26 10.485 -14.167 -3.051 1.00 0.00 N ATOM 337 NH2 ARG A 26 11.811 -12.859 -1.711 1.00 0.00 N ATOM 0 H ARG A 26 4.774 -10.642 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 26 6.616 -11.921 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.039 -12.766 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.429 -13.319 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.249 -11.862 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.434 -10.740 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.071 -13.548 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.271 -12.090 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 26 9.760 -11.476 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.582 -14.359 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.273 -14.794 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.930 -12.042 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.597 -13.488 -1.877 1.00 0.00 H new ATOM 351 N VAL A 27 8.304 -10.040 1.226 1.00 0.00 N ATOM 352 CA VAL A 27 9.072 -8.801 1.253 1.00 0.00 C ATOM 353 C VAL A 27 9.728 -8.532 -0.097 1.00 0.00 C ATOM 354 O VAL A 27 10.039 -9.449 -0.858 1.00 0.00 O ATOM 355 CB VAL A 27 10.161 -8.839 2.342 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.537 -9.033 3.715 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.171 -9.938 2.046 1.00 0.00 C ATOM 0 H VAL A 27 8.716 -10.803 1.763 1.00 0.00 H new ATOM 0 HA VAL A 27 8.370 -7.998 1.479 1.00 0.00 H new ATOM 0 HB VAL A 27 10.686 -7.884 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.322 -9.057 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.856 -8.208 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.985 -9.973 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.933 -9.951 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.663 -10.902 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.642 -9.749 1.081 1.00 0.00 H new ATOM 367 N PRO A 28 9.945 -7.244 -0.404 1.00 0.00 N ATOM 368 CA PRO A 28 10.567 -6.824 -1.663 1.00 0.00 C ATOM 369 C PRO A 28 12.046 -7.191 -1.729 1.00 0.00 C ATOM 370 O PRO A 28 12.871 -6.602 -1.032 1.00 0.00 O ATOM 371 CB PRO A 28 10.393 -5.304 -1.654 1.00 0.00 C ATOM 372 CG PRO A 28 10.289 -4.942 -0.213 1.00 0.00 C ATOM 373 CD PRO A 28 9.600 -6.099 0.456 1.00 0.00 C ATOM 0 HA PRO A 28 10.114 -7.313 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.239 -4.806 -2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.500 -5.005 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.275 -4.772 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.721 -4.021 -0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.954 -6.242 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.522 -5.948 0.511 1.00 0.00 H new ATOM 381 N GLU A 29 12.372 -8.166 -2.572 1.00 0.00 N ATOM 382 CA GLU A 29 13.752 -8.610 -2.728 1.00 0.00 C ATOM 383 C GLU A 29 14.657 -7.445 -3.118 1.00 0.00 C ATOM 384 O GLU A 29 14.192 -6.429 -3.635 1.00 0.00 O ATOM 385 CB GLU A 29 13.840 -9.714 -3.783 1.00 0.00 C ATOM 386 CG GLU A 29 12.869 -10.859 -3.548 1.00 0.00 C ATOM 387 CD GLU A 29 12.468 -11.558 -4.833 1.00 0.00 C ATOM 388 OE1 GLU A 29 12.114 -10.856 -5.803 1.00 0.00 O ATOM 389 OE2 GLU A 29 12.509 -12.805 -4.868 1.00 0.00 O ATOM 0 H GLU A 29 11.700 -8.663 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 29 14.090 -9.006 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.649 -9.282 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.856 -10.108 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.324 -11.583 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.976 -10.477 -3.053 1.00 0.00 H new ATOM 396 N VAL A 30 15.953 -7.600 -2.867 1.00 0.00 N ATOM 397 CA VAL A 30 16.925 -6.563 -3.192 1.00 0.00 C ATOM 398 C VAL A 30 16.535 -5.826 -4.468 1.00 0.00 C ATOM 399 O VAL A 30 16.102 -6.424 -5.453 1.00 0.00 O ATOM 400 CB VAL A 30 18.338 -7.151 -3.363 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.323 -8.293 -4.368 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.318 -6.068 -3.789 1.00 0.00 C ATOM 0 H VAL A 30 16.354 -8.434 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 30 16.931 -5.862 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 30 18.666 -7.548 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.330 -8.696 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.654 -9.078 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.975 -7.924 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.311 -6.501 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.996 -5.639 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.350 -5.287 -3.030 1.00 0.00 H new ATOM 412 N PRO A 31 16.693 -4.494 -4.454 1.00 0.00 N ATOM 413 CA PRO A 31 16.365 -3.645 -5.603 1.00 0.00 C ATOM 414 C PRO A 31 17.331 -3.845 -6.766 1.00 0.00 C ATOM 415 O PRO A 31 18.388 -4.456 -6.610 1.00 0.00 O ATOM 416 CB PRO A 31 16.489 -2.226 -5.043 1.00 0.00 C ATOM 417 CG PRO A 31 17.441 -2.351 -3.904 1.00 0.00 C ATOM 418 CD PRO A 31 17.205 -3.714 -3.315 1.00 0.00 C ATOM 0 HA PRO A 31 15.380 -3.873 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.863 -1.534 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.523 -1.845 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.471 -2.246 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.268 -1.570 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.123 -4.143 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.486 -3.679 -2.496 1.00 0.00 H new ATOM 426 N SER A 32 16.960 -3.327 -7.933 1.00 0.00 N ATOM 427 CA SER A 32 17.793 -3.452 -9.124 1.00 0.00 C ATOM 428 C SER A 32 19.238 -3.071 -8.818 1.00 0.00 C ATOM 429 O SER A 32 20.170 -3.797 -9.166 1.00 0.00 O ATOM 430 CB SER A 32 17.247 -2.569 -10.248 1.00 0.00 C ATOM 431 OG SER A 32 17.820 -1.274 -10.203 1.00 0.00 O ATOM 0 H SER A 32 16.089 -2.817 -8.079 1.00 0.00 H new ATOM 0 HA SER A 32 17.771 -4.493 -9.446 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.459 -3.030 -11.213 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.163 -2.494 -10.162 1.00 0.00 H new ATOM 0 HG SER A 32 17.636 -0.806 -11.044 1.00 0.00 H new ATOM 437 N SER A 33 19.417 -1.927 -8.166 1.00 0.00 N ATOM 438 CA SER A 33 20.748 -1.446 -7.817 1.00 0.00 C ATOM 439 C SER A 33 20.663 -0.196 -6.945 1.00 0.00 C ATOM 440 O SER A 33 19.575 0.237 -6.565 1.00 0.00 O ATOM 441 CB SER A 33 21.553 -1.145 -9.082 1.00 0.00 C ATOM 442 OG SER A 33 21.030 -0.017 -9.763 1.00 0.00 O ATOM 0 H SER A 33 18.656 -1.316 -7.869 1.00 0.00 H new ATOM 0 HA SER A 33 21.253 -2.229 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.595 -0.964 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.537 -2.012 -9.742 1.00 0.00 H new ATOM 0 HG SER A 33 21.563 0.156 -10.567 1.00 0.00 H new ATOM 448 N LEU A 34 21.819 0.379 -6.633 1.00 0.00 N ATOM 449 CA LEU A 34 21.877 1.579 -5.806 1.00 0.00 C ATOM 450 C LEU A 34 23.124 2.399 -6.123 1.00 0.00 C ATOM 451 O LEU A 34 24.247 1.973 -5.849 1.00 0.00 O ATOM 452 CB LEU A 34 21.864 1.203 -4.323 1.00 0.00 C ATOM 453 CG LEU A 34 22.558 2.182 -3.376 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.700 3.421 -3.167 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.862 1.511 -2.044 1.00 0.00 C ATOM 0 H LEU A 34 22.728 0.034 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 34 20.999 2.185 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.827 1.095 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.335 0.226 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 34 23.501 2.490 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.210 4.107 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.533 3.914 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.742 3.131 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.356 2.223 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.932 1.174 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.516 0.655 -2.209 1.00 0.00 H new ATOM 467 N HIS A 35 22.919 3.579 -6.700 1.00 0.00 N ATOM 468 CA HIS A 35 24.027 4.460 -7.052 1.00 0.00 C ATOM 469 C HIS A 35 24.251 5.510 -5.968 1.00 0.00 C ATOM 470 O HIS A 35 23.308 5.948 -5.308 1.00 0.00 O ATOM 471 CB HIS A 35 23.757 5.144 -8.392 1.00 0.00 C ATOM 472 CG HIS A 35 24.566 6.386 -8.605 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.006 7.643 -8.695 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.901 6.560 -8.744 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.961 8.536 -8.883 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.121 7.904 -8.915 1.00 0.00 N ATOM 0 H HIS A 35 21.997 3.947 -6.934 1.00 0.00 H new ATOM 0 HA HIS A 35 24.928 3.853 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.967 4.441 -9.198 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.698 5.395 -8.456 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.653 5.785 -8.724 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.818 9.601 -8.992 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.032 8.344 -9.046 1.00 0.00 H new ATOM 485 N VAL A 36 25.506 5.910 -5.788 1.00 0.00 N ATOM 486 CA VAL A 36 25.854 6.909 -4.785 1.00 0.00 C ATOM 487 C VAL A 36 26.863 7.912 -5.334 1.00 0.00 C ATOM 488 O VAL A 36 27.871 7.531 -5.929 1.00 0.00 O ATOM 489 CB VAL A 36 26.437 6.253 -3.519 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.330 5.625 -2.685 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.488 5.218 -3.891 1.00 0.00 C ATOM 0 H VAL A 36 26.299 5.557 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 36 24.933 7.430 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 36 26.918 7.026 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.761 5.166 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.617 6.394 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.818 4.864 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.889 4.765 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.034 4.446 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.295 5.701 -4.443 1.00 0.00 H new ATOM 501 N ARG A 37 26.584 9.195 -5.130 1.00 0.00 N ATOM 502 CA ARG A 37 27.466 10.254 -5.606 1.00 0.00 C ATOM 503 C ARG A 37 28.014 11.070 -4.439 1.00 0.00 C ATOM 504 O ARG A 37 27.292 11.820 -3.781 1.00 0.00 O ATOM 505 CB ARG A 37 26.720 11.170 -6.578 1.00 0.00 C ATOM 506 CG ARG A 37 27.553 12.342 -7.070 1.00 0.00 C ATOM 507 CD ARG A 37 26.729 13.291 -7.927 1.00 0.00 C ATOM 508 NE ARG A 37 27.569 14.140 -8.766 1.00 0.00 N ATOM 509 CZ ARG A 37 27.088 15.063 -9.592 1.00 0.00 C ATOM 510 NH1 ARG A 37 25.780 15.254 -9.688 1.00 0.00 N ATOM 511 NH2 ARG A 37 27.917 15.797 -10.324 1.00 0.00 N ATOM 0 H ARG A 37 25.754 9.527 -4.638 1.00 0.00 H new ATOM 0 HA ARG A 37 28.303 9.789 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.390 10.584 -7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.824 11.552 -6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 37 27.962 12.883 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.400 11.971 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.052 12.715 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.110 13.916 -7.283 1.00 0.00 H new ATOM 0 HE ARG A 37 28.580 14.018 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 37 25.140 14.692 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.413 15.963 -10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 37 28.924 15.653 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.547 16.505 -10.958 1.00 0.00 H new ATOM 525 N PRO A 38 29.321 10.923 -4.175 1.00 0.00 N ATOM 526 CA PRO A 38 29.994 11.638 -3.087 1.00 0.00 C ATOM 527 C PRO A 38 30.119 13.132 -3.366 1.00 0.00 C ATOM 528 O PRO A 38 30.604 13.538 -4.422 1.00 0.00 O ATOM 529 CB PRO A 38 31.378 10.986 -3.038 1.00 0.00 C ATOM 530 CG PRO A 38 31.597 10.456 -4.412 1.00 0.00 C ATOM 531 CD PRO A 38 30.241 10.046 -4.919 1.00 0.00 C ATOM 0 HA PRO A 38 29.441 11.569 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.147 11.709 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.414 10.188 -2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.042 11.214 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.281 9.608 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.153 10.192 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 38 30.040 8.993 -4.723 1.00 0.00 H new ATOM 539 N LEU A 39 29.679 13.945 -2.412 1.00 0.00 N ATOM 540 CA LEU A 39 29.742 15.396 -2.555 1.00 0.00 C ATOM 541 C LEU A 39 30.577 16.017 -1.440 1.00 0.00 C ATOM 542 O LEU A 39 30.703 15.449 -0.355 1.00 0.00 O ATOM 543 CB LEU A 39 28.333 15.991 -2.544 1.00 0.00 C ATOM 544 CG LEU A 39 27.654 16.135 -3.906 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.888 14.869 -4.258 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.727 17.342 -3.915 1.00 0.00 C ATOM 0 H LEU A 39 29.275 13.625 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 39 30.218 15.622 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.702 15.368 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.380 16.975 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 39 28.426 16.289 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.412 14.991 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.577 14.025 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.126 14.683 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.252 17.429 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.961 17.218 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.303 18.244 -3.710 1.00 0.00 H new ATOM 558 N VAL A 40 31.145 17.187 -1.714 1.00 0.00 N ATOM 559 CA VAL A 40 31.965 17.888 -0.733 1.00 0.00 C ATOM 560 C VAL A 40 31.511 17.574 0.688 1.00 0.00 C ATOM 561 O VAL A 40 32.191 16.862 1.427 1.00 0.00 O ATOM 562 CB VAL A 40 31.921 19.412 -0.951 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.786 20.123 0.079 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.364 19.761 -2.363 1.00 0.00 C ATOM 0 H VAL A 40 31.052 17.670 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 40 32.989 17.539 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 40 30.893 19.751 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.743 21.199 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.419 19.898 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.817 19.782 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.327 20.842 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.384 19.410 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.700 19.281 -3.082 1.00 0.00 H new ATOM 574 N THR A 41 30.354 18.110 1.065 1.00 0.00 N ATOM 575 CA THR A 41 29.808 17.889 2.398 1.00 0.00 C ATOM 576 C THR A 41 28.448 17.205 2.328 1.00 0.00 C ATOM 577 O THR A 41 27.631 17.330 3.241 1.00 0.00 O ATOM 578 CB THR A 41 29.665 19.212 3.173 1.00 0.00 C ATOM 579 OG1 THR A 41 28.907 20.152 2.403 1.00 0.00 O ATOM 580 CG2 THR A 41 31.030 19.800 3.498 1.00 0.00 C ATOM 0 H THR A 41 29.777 18.700 0.466 1.00 0.00 H new ATOM 0 HA THR A 41 30.510 17.243 2.924 1.00 0.00 H new ATOM 0 HB THR A 41 29.144 19.004 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.819 20.990 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.903 20.734 4.045 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.594 19.095 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.573 19.993 2.573 1.00 0.00 H new ATOM 588 N SER A 42 28.210 16.480 1.239 1.00 0.00 N ATOM 589 CA SER A 42 26.947 15.777 1.049 1.00 0.00 C ATOM 590 C SER A 42 27.149 14.508 0.227 1.00 0.00 C ATOM 591 O SER A 42 28.270 14.181 -0.164 1.00 0.00 O ATOM 592 CB SER A 42 25.931 16.689 0.358 1.00 0.00 C ATOM 593 OG SER A 42 25.988 18.005 0.882 1.00 0.00 O ATOM 0 H SER A 42 28.876 16.364 0.475 1.00 0.00 H new ATOM 0 HA SER A 42 26.565 15.496 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.128 16.712 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.927 16.285 0.489 1.00 0.00 H new ATOM 0 HG SER A 42 25.331 18.569 0.423 1.00 0.00 H new ATOM 599 N ILE A 43 26.057 13.798 -0.031 1.00 0.00 N ATOM 600 CA ILE A 43 26.113 12.565 -0.808 1.00 0.00 C ATOM 601 C ILE A 43 24.756 12.240 -1.423 1.00 0.00 C ATOM 602 O ILE A 43 23.836 11.808 -0.729 1.00 0.00 O ATOM 603 CB ILE A 43 26.571 11.376 0.057 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.953 11.651 0.652 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.588 10.097 -0.767 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.475 10.525 1.516 1.00 0.00 C ATOM 0 H ILE A 43 25.122 14.055 0.286 1.00 0.00 H new ATOM 0 HA ILE A 43 26.840 12.726 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 43 25.863 11.248 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.659 11.833 -0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.908 12.563 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.914 9.266 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.586 9.895 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.276 10.213 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.459 10.790 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.791 10.357 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.553 9.615 0.920 1.00 0.00 H new ATOM 618 N VAL A 44 24.640 12.449 -2.730 1.00 0.00 N ATOM 619 CA VAL A 44 23.396 12.176 -3.440 1.00 0.00 C ATOM 620 C VAL A 44 23.186 10.677 -3.624 1.00 0.00 C ATOM 621 O VAL A 44 23.709 10.076 -4.562 1.00 0.00 O ATOM 622 CB VAL A 44 23.377 12.858 -4.821 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.106 12.499 -5.576 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.510 14.366 -4.671 1.00 0.00 C ATOM 0 H VAL A 44 25.392 12.806 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 44 22.588 12.582 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 44 24.228 12.496 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.110 12.990 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.058 11.419 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.238 12.831 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.495 14.832 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.680 14.747 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.451 14.601 -4.173 1.00 0.00 H new ATOM 634 N VAL A 45 22.417 10.078 -2.720 1.00 0.00 N ATOM 635 CA VAL A 45 22.136 8.648 -2.782 1.00 0.00 C ATOM 636 C VAL A 45 20.939 8.362 -3.683 1.00 0.00 C ATOM 637 O VAL A 45 19.789 8.515 -3.272 1.00 0.00 O ATOM 638 CB VAL A 45 21.860 8.069 -1.382 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.640 6.566 -1.460 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.003 8.400 -0.435 1.00 0.00 C ATOM 0 H VAL A 45 21.978 10.561 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 45 23.023 8.169 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 45 20.951 8.525 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.446 6.174 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.786 6.356 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.530 6.089 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.792 7.983 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.929 7.972 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.109 9.482 -0.356 1.00 0.00 H new ATOM 650 N SER A 46 21.219 7.946 -4.914 1.00 0.00 N ATOM 651 CA SER A 46 20.165 7.642 -5.875 1.00 0.00 C ATOM 652 C SER A 46 20.014 6.134 -6.056 1.00 0.00 C ATOM 653 O SER A 46 20.986 5.431 -6.335 1.00 0.00 O ATOM 654 CB SER A 46 20.468 8.301 -7.222 1.00 0.00 C ATOM 655 OG SER A 46 19.710 7.708 -8.262 1.00 0.00 O ATOM 0 H SER A 46 22.166 7.812 -5.269 1.00 0.00 H new ATOM 0 HA SER A 46 19.227 8.040 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.245 9.367 -7.167 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.531 8.209 -7.445 1.00 0.00 H new ATOM 0 HG SER A 46 19.921 8.148 -9.112 1.00 0.00 H new ATOM 661 N TRP A 47 18.790 5.646 -5.896 1.00 0.00 N ATOM 662 CA TRP A 47 18.511 4.221 -6.041 1.00 0.00 C ATOM 663 C TRP A 47 17.353 3.989 -7.006 1.00 0.00 C ATOM 664 O TRP A 47 16.844 4.929 -7.619 1.00 0.00 O ATOM 665 CB TRP A 47 18.188 3.602 -4.680 1.00 0.00 C ATOM 666 CG TRP A 47 16.931 4.140 -4.066 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.671 3.631 -4.200 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.814 5.291 -3.223 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.777 4.396 -3.491 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.453 5.421 -2.882 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.725 6.224 -2.722 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.985 6.446 -2.065 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.259 7.242 -1.911 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.900 7.346 -1.588 1.00 0.00 C ATOM 0 H TRP A 47 17.975 6.215 -5.666 1.00 0.00 H new ATOM 0 HA TRP A 47 19.401 3.742 -6.448 1.00 0.00 H new ATOM 0 HB2 TRP A 47 18.095 2.522 -4.793 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.021 3.781 -4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.415 2.756 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.773 4.228 -3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.775 6.151 -2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.937 6.529 -1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.955 7.970 -1.520 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.567 8.152 -0.950 1.00 0.00 H new ATOM 685 N THR A 48 16.940 2.733 -7.137 1.00 0.00 N ATOM 686 CA THR A 48 15.842 2.378 -8.028 1.00 0.00 C ATOM 687 C THR A 48 14.975 1.280 -7.422 1.00 0.00 C ATOM 688 O THR A 48 15.394 0.549 -6.525 1.00 0.00 O ATOM 689 CB THR A 48 16.362 1.907 -9.399 1.00 0.00 C ATOM 690 OG1 THR A 48 17.627 1.253 -9.246 1.00 0.00 O ATOM 691 CG2 THR A 48 16.506 3.081 -10.356 1.00 0.00 C ATOM 0 H THR A 48 17.349 1.944 -6.637 1.00 0.00 H new ATOM 0 HA THR A 48 15.242 3.278 -8.164 1.00 0.00 H new ATOM 0 HB THR A 48 15.639 1.206 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.572 0.345 -9.611 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.875 2.724 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.536 3.559 -10.494 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.211 3.803 -9.943 1.00 0.00 H new ATOM 699 N PRO A 49 13.737 1.160 -7.922 1.00 0.00 N ATOM 700 CA PRO A 49 12.785 0.152 -7.446 1.00 0.00 C ATOM 701 C PRO A 49 13.189 -1.263 -7.845 1.00 0.00 C ATOM 702 O PRO A 49 13.992 -1.471 -8.755 1.00 0.00 O ATOM 703 CB PRO A 49 11.475 0.548 -8.133 1.00 0.00 C ATOM 704 CG PRO A 49 11.897 1.284 -9.357 1.00 0.00 C ATOM 705 CD PRO A 49 13.170 1.997 -8.993 1.00 0.00 C ATOM 0 HA PRO A 49 12.723 0.133 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.879 -0.329 -8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.862 1.175 -7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.058 0.598 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.130 1.991 -9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.846 2.072 -9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.977 3.013 -8.649 1.00 0.00 H new ATOM 713 N PRO A 50 12.621 -2.260 -7.150 1.00 0.00 N ATOM 714 CA PRO A 50 12.908 -3.673 -7.416 1.00 0.00 C ATOM 715 C PRO A 50 12.331 -4.141 -8.748 1.00 0.00 C ATOM 716 O PRO A 50 11.151 -3.936 -9.029 1.00 0.00 O ATOM 717 CB PRO A 50 12.225 -4.398 -6.254 1.00 0.00 C ATOM 718 CG PRO A 50 11.137 -3.477 -5.819 1.00 0.00 C ATOM 719 CD PRO A 50 11.656 -2.085 -6.053 1.00 0.00 C ATOM 0 HA PRO A 50 13.979 -3.865 -7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.825 -5.362 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.926 -4.594 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.225 -3.654 -6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.892 -3.631 -4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.855 -1.399 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.132 -1.678 -5.161 1.00 0.00 H new ATOM 727 N GLU A 51 13.172 -4.770 -9.563 1.00 0.00 N ATOM 728 CA GLU A 51 12.744 -5.266 -10.866 1.00 0.00 C ATOM 729 C GLU A 51 11.300 -5.756 -10.814 1.00 0.00 C ATOM 730 O GLU A 51 10.522 -5.526 -11.738 1.00 0.00 O ATOM 731 CB GLU A 51 13.662 -6.399 -11.331 1.00 0.00 C ATOM 732 CG GLU A 51 13.867 -6.436 -12.836 1.00 0.00 C ATOM 733 CD GLU A 51 14.068 -7.844 -13.363 1.00 0.00 C ATOM 734 OE1 GLU A 51 13.271 -8.733 -12.997 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.022 -8.056 -14.141 1.00 0.00 O ATOM 0 H GLU A 51 14.152 -4.948 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 51 12.805 -4.443 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.631 -6.294 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.243 -7.351 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.004 -5.988 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.733 -5.828 -13.096 1.00 0.00 H new ATOM 742 N ASN A 52 10.950 -6.434 -9.725 1.00 0.00 N ATOM 743 CA ASN A 52 9.600 -6.957 -9.552 1.00 0.00 C ATOM 744 C ASN A 52 8.717 -5.955 -8.815 1.00 0.00 C ATOM 745 O ASN A 52 8.857 -5.762 -7.607 1.00 0.00 O ATOM 746 CB ASN A 52 9.638 -8.281 -8.785 1.00 0.00 C ATOM 747 CG ASN A 52 8.366 -9.087 -8.960 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.495 -8.731 -9.754 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.252 -10.181 -8.215 1.00 0.00 N ATOM 0 H ASN A 52 11.582 -6.634 -8.950 1.00 0.00 H new ATOM 0 HA ASN A 52 9.175 -7.129 -10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.489 -8.871 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.794 -8.079 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.418 -10.763 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.999 -10.439 -7.570 1.00 0.00 H new ATOM 756 N GLN A 53 7.810 -5.320 -9.550 1.00 0.00 N ATOM 757 CA GLN A 53 6.905 -4.337 -8.965 1.00 0.00 C ATOM 758 C GLN A 53 5.775 -5.023 -8.205 1.00 0.00 C ATOM 759 O GLN A 53 5.280 -4.501 -7.207 1.00 0.00 O ATOM 760 CB GLN A 53 6.328 -3.433 -10.055 1.00 0.00 C ATOM 761 CG GLN A 53 7.282 -2.338 -10.506 1.00 0.00 C ATOM 762 CD GLN A 53 7.132 -1.064 -9.699 1.00 0.00 C ATOM 763 OE1 GLN A 53 6.392 -0.157 -10.080 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.836 -0.989 -8.575 1.00 0.00 N ATOM 0 H GLN A 53 7.682 -5.468 -10.551 1.00 0.00 H new ATOM 0 HA GLN A 53 7.474 -3.729 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.056 -4.044 -10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.410 -2.975 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.307 -2.698 -10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.106 -2.119 -11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.437 -1.765 -8.297 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.775 -0.156 -7.990 1.00 0.00 H new ATOM 773 N ASN A 54 5.371 -6.195 -8.685 1.00 0.00 N ATOM 774 CA ASN A 54 4.297 -6.951 -8.050 1.00 0.00 C ATOM 775 C ASN A 54 4.386 -6.852 -6.531 1.00 0.00 C ATOM 776 O ASN A 54 3.376 -6.670 -5.851 1.00 0.00 O ATOM 777 CB ASN A 54 4.356 -8.418 -8.481 1.00 0.00 C ATOM 778 CG ASN A 54 3.566 -8.681 -9.748 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.065 -8.177 -10.871 1.00 0.00 O flip ATOM 780 ND2 ASN A 54 2.520 -9.330 -9.718 1.00 0.00 N flip ATOM 0 H ASN A 54 5.771 -6.641 -9.511 1.00 0.00 H new ATOM 0 HA ASN A 54 3.347 -6.523 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.395 -8.706 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.969 -9.045 -7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.174 -9.698 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.000 -9.499 -10.579 1.00 0.00 H new ATOM 787 N ILE A 55 5.601 -6.971 -6.005 1.00 0.00 N ATOM 788 CA ILE A 55 5.821 -6.892 -4.567 1.00 0.00 C ATOM 789 C ILE A 55 5.561 -5.482 -4.047 1.00 0.00 C ATOM 790 O ILE A 55 6.155 -4.514 -4.522 1.00 0.00 O ATOM 791 CB ILE A 55 7.256 -7.308 -4.194 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.579 -8.686 -4.775 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.431 -7.310 -2.682 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.041 -9.060 -4.669 1.00 0.00 C ATOM 0 H ILE A 55 6.447 -7.122 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 55 5.118 -7.583 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 55 7.950 -6.584 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.982 -9.438 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.282 -8.708 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.450 -7.606 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.238 -6.310 -2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.730 -8.015 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.196 -10.049 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.643 -8.330 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.339 -9.071 -3.620 1.00 0.00 H new ATOM 806 N VAL A 56 4.670 -5.374 -3.066 1.00 0.00 N ATOM 807 CA VAL A 56 4.332 -4.083 -2.479 1.00 0.00 C ATOM 808 C VAL A 56 5.526 -3.487 -1.741 1.00 0.00 C ATOM 809 O VAL A 56 6.253 -4.192 -1.041 1.00 0.00 O ATOM 810 CB VAL A 56 3.147 -4.203 -1.503 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.884 -2.872 -0.816 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.904 -4.691 -2.232 1.00 0.00 C ATOM 0 H VAL A 56 4.169 -6.165 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 56 4.050 -3.425 -3.301 1.00 0.00 H new ATOM 0 HB VAL A 56 3.402 -4.935 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.043 -2.976 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.771 -2.568 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.649 -2.116 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.076 -4.770 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.643 -3.984 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.101 -5.669 -2.672 1.00 0.00 H new ATOM 822 N VAL A 57 5.721 -2.182 -1.901 1.00 0.00 N ATOM 823 CA VAL A 57 6.826 -1.489 -1.249 1.00 0.00 C ATOM 824 C VAL A 57 6.338 -0.240 -0.522 1.00 0.00 C ATOM 825 O VAL A 57 5.985 0.758 -1.150 1.00 0.00 O ATOM 826 CB VAL A 57 7.913 -1.087 -2.263 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.009 -0.283 -1.580 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.490 -2.320 -2.941 1.00 0.00 C ATOM 0 H VAL A 57 5.128 -1.583 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 57 7.253 -2.184 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 57 7.457 -0.459 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.768 -0.008 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.580 0.620 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.465 -0.884 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.257 -2.018 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.931 -2.975 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.696 -2.852 -3.465 1.00 0.00 H new ATOM 838 N ARG A 58 6.322 -0.303 0.806 1.00 0.00 N ATOM 839 CA ARG A 58 5.878 0.822 1.619 1.00 0.00 C ATOM 840 C ARG A 58 6.933 1.924 1.646 1.00 0.00 C ATOM 841 O ARG A 58 6.607 3.108 1.721 1.00 0.00 O ATOM 842 CB ARG A 58 5.572 0.359 3.044 1.00 0.00 C ATOM 843 CG ARG A 58 4.323 -0.501 3.151 1.00 0.00 C ATOM 844 CD ARG A 58 3.059 0.342 3.091 1.00 0.00 C ATOM 845 NE ARG A 58 1.894 -0.445 2.699 1.00 0.00 N ATOM 846 CZ ARG A 58 0.647 0.011 2.751 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.406 1.243 3.176 1.00 0.00 N ATOM 848 NH2 ARG A 58 -0.361 -0.767 2.376 1.00 0.00 N ATOM 0 H ARG A 58 6.612 -1.122 1.341 1.00 0.00 H new ATOM 0 HA ARG A 58 4.969 1.225 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.424 -0.204 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.456 1.234 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.313 -1.232 2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.344 -1.061 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.879 0.795 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.201 1.158 2.382 1.00 0.00 H new ATOM 0 HE ARG A 58 2.045 -1.397 2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.179 1.843 3.464 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.552 1.591 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.179 -1.715 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.318 -0.416 2.416 1.00 0.00 H new ATOM 862 N GLY A 59 8.200 1.525 1.584 1.00 0.00 N ATOM 863 CA GLY A 59 9.283 2.490 1.603 1.00 0.00 C ATOM 864 C GLY A 59 10.647 1.832 1.544 1.00 0.00 C ATOM 865 O GLY A 59 10.754 0.630 1.298 1.00 0.00 O ATOM 0 H GLY A 59 8.495 0.551 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.174 3.170 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.213 3.093 2.508 1.00 0.00 H new ATOM 869 N TYR A 60 11.693 2.620 1.769 1.00 0.00 N ATOM 870 CA TYR A 60 13.057 2.108 1.736 1.00 0.00 C ATOM 871 C TYR A 60 13.868 2.641 2.913 1.00 0.00 C ATOM 872 O TYR A 60 13.597 3.726 3.426 1.00 0.00 O ATOM 873 CB TYR A 60 13.736 2.490 0.420 1.00 0.00 C ATOM 874 CG TYR A 60 12.882 2.229 -0.800 1.00 0.00 C ATOM 875 CD1 TYR A 60 11.943 3.160 -1.227 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.015 1.052 -1.527 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.160 2.925 -2.341 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.238 0.810 -2.643 1.00 0.00 C ATOM 879 CZ TYR A 60 11.311 1.749 -3.046 1.00 0.00 C ATOM 880 OH TYR A 60 10.534 1.512 -4.156 1.00 0.00 O ATOM 0 H TYR A 60 11.622 3.616 1.976 1.00 0.00 H new ATOM 0 HA TYR A 60 13.012 1.022 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.998 3.548 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.668 1.933 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.823 4.083 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.738 0.314 -1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.433 3.658 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.355 -0.109 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 60 10.766 0.640 -4.537 1.00 0.00 H new ATOM 890 N ALA A 61 14.864 1.869 3.335 1.00 0.00 N ATOM 891 CA ALA A 61 15.717 2.264 4.449 1.00 0.00 C ATOM 892 C ALA A 61 17.167 2.418 4.003 1.00 0.00 C ATOM 893 O ALA A 61 17.761 1.486 3.458 1.00 0.00 O ATOM 894 CB ALA A 61 15.615 1.248 5.577 1.00 0.00 C ATOM 0 H ALA A 61 15.100 0.967 2.922 1.00 0.00 H new ATOM 0 HA ALA A 61 15.372 3.232 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.257 1.555 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.583 1.190 5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.932 0.270 5.215 1.00 0.00 H new ATOM 900 N ILE A 62 17.731 3.598 4.237 1.00 0.00 N ATOM 901 CA ILE A 62 19.112 3.872 3.859 1.00 0.00 C ATOM 902 C ILE A 62 20.013 3.947 5.087 1.00 0.00 C ATOM 903 O ILE A 62 19.623 4.479 6.125 1.00 0.00 O ATOM 904 CB ILE A 62 19.229 5.189 3.069 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.335 5.145 1.828 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.677 5.445 2.678 1.00 0.00 C ATOM 907 CD1 ILE A 62 18.010 6.513 1.269 1.00 0.00 C ATOM 0 H ILE A 62 17.253 4.379 4.686 1.00 0.00 H new ATOM 0 HA ILE A 62 19.435 3.047 3.224 1.00 0.00 H new ATOM 0 HB ILE A 62 18.895 6.009 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.827 4.554 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.406 4.633 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.744 6.379 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.290 5.514 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.036 4.625 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.373 6.405 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.489 7.101 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.933 7.020 0.988 1.00 0.00 H new ATOM 919 N GLY A 63 21.224 3.411 4.960 1.00 0.00 N ATOM 920 CA GLY A 63 22.163 3.430 6.066 1.00 0.00 C ATOM 921 C GLY A 63 23.560 3.828 5.634 1.00 0.00 C ATOM 922 O GLY A 63 24.161 3.179 4.776 1.00 0.00 O ATOM 0 H GLY A 63 21.571 2.964 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.809 4.126 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.196 2.443 6.527 1.00 0.00 H new ATOM 926 N TYR A 64 24.079 4.898 6.226 1.00 0.00 N ATOM 927 CA TYR A 64 25.413 5.384 5.894 1.00 0.00 C ATOM 928 C TYR A 64 26.345 5.281 7.097 1.00 0.00 C ATOM 929 O TYR A 64 25.910 4.994 8.212 1.00 0.00 O ATOM 930 CB TYR A 64 25.344 6.834 5.410 1.00 0.00 C ATOM 931 CG TYR A 64 24.656 7.765 6.383 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.285 7.689 6.596 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.377 8.720 7.088 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.652 8.538 7.483 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.752 9.572 7.979 1.00 0.00 C ATOM 936 CZ TYR A 64 23.390 9.478 8.172 1.00 0.00 C ATOM 937 OH TYR A 64 22.764 10.326 9.057 1.00 0.00 O ATOM 0 H TYR A 64 23.596 5.445 6.938 1.00 0.00 H new ATOM 0 HA TYR A 64 25.812 4.760 5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.356 7.196 5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.817 6.865 4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.704 6.954 6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.444 8.798 6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.585 8.466 7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.328 10.308 8.521 1.00 0.00 H new ATOM 0 HH TYR A 64 23.426 10.926 9.459 1.00 0.00 H new ATOM 947 N GLY A 65 27.632 5.519 6.863 1.00 0.00 N ATOM 948 CA GLY A 65 28.607 5.449 7.935 1.00 0.00 C ATOM 949 C GLY A 65 29.971 5.000 7.451 1.00 0.00 C ATOM 950 O GLY A 65 30.099 3.949 6.823 1.00 0.00 O ATOM 0 H GLY A 65 28.017 5.759 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.696 6.428 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.252 4.759 8.700 1.00 0.00 H new ATOM 954 N ILE A 66 30.993 5.799 7.741 1.00 0.00 N ATOM 955 CA ILE A 66 32.354 5.477 7.330 1.00 0.00 C ATOM 956 C ILE A 66 32.705 4.033 7.671 1.00 0.00 C ATOM 957 O ILE A 66 32.715 3.645 8.838 1.00 0.00 O ATOM 958 CB ILE A 66 33.379 6.414 7.995 1.00 0.00 C ATOM 959 CG1 ILE A 66 33.088 7.870 7.626 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.792 6.030 7.584 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.581 8.865 8.653 1.00 0.00 C ATOM 0 H ILE A 66 30.904 6.673 8.259 1.00 0.00 H new ATOM 0 HA ILE A 66 32.398 5.613 6.249 1.00 0.00 H new ATOM 0 HB ILE A 66 33.295 6.310 9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.552 8.092 6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 66 32.013 7.996 7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.505 6.701 8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.995 5.005 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.890 6.108 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.340 9.876 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 66 33.098 8.669 9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.661 8.768 8.765 1.00 0.00 H new ATOM 973 N GLY A 67 32.994 3.241 6.643 1.00 0.00 N ATOM 974 CA GLY A 67 33.344 1.849 6.854 1.00 0.00 C ATOM 975 C GLY A 67 32.140 0.995 7.199 1.00 0.00 C ATOM 976 O GLY A 67 31.833 0.030 6.497 1.00 0.00 O ATOM 0 H GLY A 67 32.992 3.539 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.818 1.456 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.077 1.780 7.658 1.00 0.00 H new ATOM 980 N SER A 68 31.456 1.348 8.282 1.00 0.00 N ATOM 981 CA SER A 68 30.282 0.603 8.722 1.00 0.00 C ATOM 982 C SER A 68 29.030 1.473 8.655 1.00 0.00 C ATOM 983 O SER A 68 28.929 2.511 9.308 1.00 0.00 O ATOM 984 CB SER A 68 30.483 0.088 10.148 1.00 0.00 C ATOM 985 OG SER A 68 31.171 -1.151 10.151 1.00 0.00 O ATOM 0 H SER A 68 31.694 2.146 8.871 1.00 0.00 H new ATOM 0 HA SER A 68 30.150 -0.247 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 68 31.045 0.821 10.727 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.515 -0.029 10.636 1.00 0.00 H new ATOM 0 HG SER A 68 31.288 -1.458 11.074 1.00 0.00 H new ATOM 991 N PRO A 69 28.052 1.040 7.845 1.00 0.00 N ATOM 992 CA PRO A 69 26.789 1.763 7.673 1.00 0.00 C ATOM 993 C PRO A 69 25.915 1.707 8.921 1.00 0.00 C ATOM 994 O PRO A 69 24.805 2.242 8.938 1.00 0.00 O ATOM 995 CB PRO A 69 26.114 1.026 6.514 1.00 0.00 C ATOM 996 CG PRO A 69 26.690 -0.347 6.551 1.00 0.00 C ATOM 997 CD PRO A 69 28.105 -0.190 7.036 1.00 0.00 C ATOM 0 HA PRO A 69 26.949 2.825 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 69 25.031 1.004 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.318 1.515 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 69 26.118 -0.992 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.665 -0.807 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.425 -1.047 7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.806 -0.096 6.207 1.00 0.00 H new ATOM 1005 N HIS A 70 26.421 1.058 9.965 1.00 0.00 N ATOM 1006 CA HIS A 70 25.685 0.934 11.218 1.00 0.00 C ATOM 1007 C HIS A 70 25.843 2.192 12.067 1.00 0.00 C ATOM 1008 O HIS A 70 26.069 2.113 13.274 1.00 0.00 O ATOM 1009 CB HIS A 70 26.170 -0.287 12.000 1.00 0.00 C ATOM 1010 CG HIS A 70 26.048 -1.572 11.240 1.00 0.00 C ATOM 1011 ND1 HIS A 70 26.514 -1.926 10.020 1.00 0.00 N flip ATOM 1012 CD2 HIS A 70 25.377 -2.674 11.727 1.00 0.00 C flip ATOM 1013 CE1 HIS A 70 26.122 -3.223 9.795 1.00 0.00 C flip ATOM 1014 NE2 HIS A 70 25.438 -3.651 10.840 1.00 0.00 N flip ATOM 0 H HIS A 70 27.337 0.610 9.968 1.00 0.00 H new ATOM 0 HA HIS A 70 24.629 0.807 10.980 1.00 0.00 H new ATOM 0 HB2 HIS A 70 27.213 -0.138 12.281 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.599 -0.366 12.925 1.00 0.00 H new ATOM 0 HD2 HIS A 70 24.879 -2.730 12.684 1.00 0.00 H new ATOM 0 HE1 HIS A 70 26.338 -3.799 8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 70 25.027 -4.578 10.945 1.00 0.00 H new ATOM 1023 N ALA A 71 25.723 3.351 11.428 1.00 0.00 N ATOM 1024 CA ALA A 71 25.851 4.625 12.124 1.00 0.00 C ATOM 1025 C ALA A 71 24.498 5.314 12.261 1.00 0.00 C ATOM 1026 O ALA A 71 24.080 5.668 13.363 1.00 0.00 O ATOM 1027 CB ALA A 71 26.834 5.528 11.395 1.00 0.00 C ATOM 0 H ALA A 71 25.537 3.434 10.428 1.00 0.00 H new ATOM 0 HA ALA A 71 26.231 4.427 13.126 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.920 6.476 11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.810 5.045 11.354 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.477 5.711 10.381 1.00 0.00 H new ATOM 1033 N GLN A 72 23.818 5.501 11.135 1.00 0.00 N ATOM 1034 CA GLN A 72 22.512 6.150 11.130 1.00 0.00 C ATOM 1035 C GLN A 72 21.606 5.543 10.063 1.00 0.00 C ATOM 1036 O GLN A 72 22.072 5.117 9.006 1.00 0.00 O ATOM 1037 CB GLN A 72 22.666 7.653 10.890 1.00 0.00 C ATOM 1038 CG GLN A 72 22.858 8.456 12.166 1.00 0.00 C ATOM 1039 CD GLN A 72 23.456 9.826 11.910 1.00 0.00 C ATOM 1040 OE1 GLN A 72 22.743 10.829 11.869 1.00 0.00 O ATOM 1041 NE2 GLN A 72 24.771 9.874 11.735 1.00 0.00 N ATOM 0 H GLN A 72 24.149 5.213 10.214 1.00 0.00 H new ATOM 0 HA GLN A 72 22.052 5.990 12.105 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.519 7.822 10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.783 8.022 10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 72 21.896 8.571 12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.506 7.902 12.845 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.323 9.017 11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.230 10.768 11.558 1.00 0.00 H new ATOM 1050 N THR A 73 20.308 5.507 10.347 1.00 0.00 N ATOM 1051 CA THR A 73 19.337 4.951 9.413 1.00 0.00 C ATOM 1052 C THR A 73 18.303 5.996 9.008 1.00 0.00 C ATOM 1053 O THR A 73 17.791 6.734 9.850 1.00 0.00 O ATOM 1054 CB THR A 73 18.611 3.734 10.016 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.565 2.807 10.546 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.752 3.042 8.968 1.00 0.00 C ATOM 0 H THR A 73 19.905 5.856 11.216 1.00 0.00 H new ATOM 0 HA THR A 73 19.893 4.633 8.531 1.00 0.00 H new ATOM 0 HB THR A 73 17.963 4.087 10.819 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.095 2.037 10.929 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.249 2.186 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.008 3.742 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.383 2.702 8.147 1.00 0.00 H new ATOM 1064 N ILE A 74 18.000 6.052 7.716 1.00 0.00 N ATOM 1065 CA ILE A 74 17.026 7.005 7.200 1.00 0.00 C ATOM 1066 C ILE A 74 15.984 6.310 6.330 1.00 0.00 C ATOM 1067 O ILE A 74 16.278 5.879 5.215 1.00 0.00 O ATOM 1068 CB ILE A 74 17.706 8.116 6.379 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.825 8.770 7.192 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.683 9.156 5.945 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.463 9.954 6.500 1.00 0.00 C ATOM 0 H ILE A 74 18.415 5.448 7.007 1.00 0.00 H new ATOM 0 HA ILE A 74 16.534 7.452 8.064 1.00 0.00 H new ATOM 0 HB ILE A 74 18.144 7.670 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.424 9.094 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.593 8.026 7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.179 9.935 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.918 8.680 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.219 9.599 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.247 10.367 7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.895 9.632 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.707 10.717 6.314 1.00 0.00 H new ATOM 1083 N LYS A 75 14.764 6.206 6.847 1.00 0.00 N ATOM 1084 CA LYS A 75 13.676 5.567 6.117 1.00 0.00 C ATOM 1085 C LYS A 75 12.771 6.609 5.466 1.00 0.00 C ATOM 1086 O LYS A 75 12.080 7.361 6.153 1.00 0.00 O ATOM 1087 CB LYS A 75 12.856 4.680 7.057 1.00 0.00 C ATOM 1088 CG LYS A 75 13.402 3.269 7.192 1.00 0.00 C ATOM 1089 CD LYS A 75 12.568 2.438 8.152 1.00 0.00 C ATOM 1090 CE LYS A 75 13.006 2.645 9.594 1.00 0.00 C ATOM 1091 NZ LYS A 75 11.879 2.454 10.549 1.00 0.00 N ATOM 0 H LYS A 75 14.504 6.556 7.769 1.00 0.00 H new ATOM 0 HA LYS A 75 14.112 4.949 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.822 5.143 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.830 4.630 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.418 2.789 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.433 3.309 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.517 2.706 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.655 1.383 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.808 1.946 9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.413 3.649 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.218 2.604 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.124 3.137 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.506 1.487 10.457 1.00 0.00 H new ATOM 1105 N VAL A 76 12.780 6.647 4.138 1.00 0.00 N ATOM 1106 CA VAL A 76 11.958 7.594 3.395 1.00 0.00 C ATOM 1107 C VAL A 76 10.801 6.889 2.697 1.00 0.00 C ATOM 1108 O VAL A 76 10.849 5.682 2.457 1.00 0.00 O ATOM 1109 CB VAL A 76 12.789 8.355 2.344 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.860 9.199 3.020 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.411 7.384 1.352 1.00 0.00 C ATOM 0 H VAL A 76 13.348 6.033 3.554 1.00 0.00 H new ATOM 0 HA VAL A 76 11.562 8.305 4.120 1.00 0.00 H new ATOM 0 HB VAL A 76 12.126 9.024 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.437 9.729 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.388 9.920 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.523 8.553 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.994 7.939 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.062 6.689 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.623 6.827 0.845 1.00 0.00 H new ATOM 1121 N ASP A 77 9.761 7.650 2.372 1.00 0.00 N ATOM 1122 CA ASP A 77 8.590 7.098 1.700 1.00 0.00 C ATOM 1123 C ASP A 77 8.997 6.314 0.457 1.00 0.00 C ATOM 1124 O ASP A 77 10.180 6.224 0.126 1.00 0.00 O ATOM 1125 CB ASP A 77 7.621 8.217 1.318 1.00 0.00 C ATOM 1126 CG ASP A 77 7.030 8.910 2.529 1.00 0.00 C ATOM 1127 OD1 ASP A 77 7.722 9.765 3.121 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.874 8.599 2.886 1.00 0.00 O ATOM 0 H ASP A 77 9.705 8.650 2.563 1.00 0.00 H new ATOM 0 HA ASP A 77 8.092 6.417 2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.142 8.950 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.816 7.804 0.710 1.00 0.00 H new ATOM 1133 N TYR A 78 8.010 5.747 -0.228 1.00 0.00 N ATOM 1134 CA TYR A 78 8.266 4.967 -1.433 1.00 0.00 C ATOM 1135 C TYR A 78 8.400 5.875 -2.652 1.00 0.00 C ATOM 1136 O TYR A 78 9.004 5.500 -3.657 1.00 0.00 O ATOM 1137 CB TYR A 78 7.141 3.955 -1.659 1.00 0.00 C ATOM 1138 CG TYR A 78 5.767 4.583 -1.726 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.297 5.148 -2.905 1.00 0.00 C ATOM 1140 CD2 TYR A 78 4.939 4.611 -0.611 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.042 5.723 -2.971 1.00 0.00 C ATOM 1142 CE2 TYR A 78 3.683 5.182 -0.668 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.239 5.737 -1.850 1.00 0.00 C ATOM 1144 OH TYR A 78 1.988 6.309 -1.911 1.00 0.00 O ATOM 0 H TYR A 78 7.026 5.813 0.031 1.00 0.00 H new ATOM 0 HA TYR A 78 9.206 4.432 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.330 3.415 -2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.157 3.221 -0.854 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.923 5.138 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.284 4.179 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.692 6.159 -3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.052 5.194 0.208 1.00 0.00 H new ATOM 0 HH TYR A 78 1.551 6.235 -1.037 1.00 0.00 H new ATOM 1154 N LYS A 79 7.833 7.073 -2.554 1.00 0.00 N ATOM 1155 CA LYS A 79 7.890 8.038 -3.645 1.00 0.00 C ATOM 1156 C LYS A 79 9.210 8.803 -3.627 1.00 0.00 C ATOM 1157 O LYS A 79 9.243 10.006 -3.885 1.00 0.00 O ATOM 1158 CB LYS A 79 6.719 9.018 -3.549 1.00 0.00 C ATOM 1159 CG LYS A 79 5.481 8.563 -4.302 1.00 0.00 C ATOM 1160 CD LYS A 79 5.494 9.051 -5.742 1.00 0.00 C ATOM 1161 CE LYS A 79 4.085 9.170 -6.302 1.00 0.00 C ATOM 1162 NZ LYS A 79 4.092 9.521 -7.749 1.00 0.00 N ATOM 0 H LYS A 79 7.329 7.399 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 79 7.821 7.490 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.463 9.163 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.034 9.987 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.424 7.475 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.590 8.937 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.991 10.020 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.074 8.362 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.557 8.227 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.536 9.930 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.113 9.593 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.574 10.433 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.594 8.783 -8.283 1.00 0.00 H new ATOM 1176 N GLN A 80 10.294 8.097 -3.322 1.00 0.00 N ATOM 1177 CA GLN A 80 11.615 8.711 -3.271 1.00 0.00 C ATOM 1178 C GLN A 80 12.600 7.958 -4.159 1.00 0.00 C ATOM 1179 O GLN A 80 12.816 6.759 -3.985 1.00 0.00 O ATOM 1180 CB GLN A 80 12.131 8.744 -1.831 1.00 0.00 C ATOM 1181 CG GLN A 80 11.153 9.368 -0.849 1.00 0.00 C ATOM 1182 CD GLN A 80 10.266 10.415 -1.494 1.00 0.00 C ATOM 1183 OE1 GLN A 80 9.040 10.353 -1.395 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.882 11.385 -2.160 1.00 0.00 N ATOM 0 H GLN A 80 10.283 7.100 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 80 11.527 9.732 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.355 7.727 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.067 9.301 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.529 8.586 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.708 9.823 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.900 11.398 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.337 12.117 -2.615 1.00 0.00 H new ATOM 1193 N ARG A 81 13.194 8.670 -5.112 1.00 0.00 N ATOM 1194 CA ARG A 81 14.155 8.067 -6.028 1.00 0.00 C ATOM 1195 C ARG A 81 15.576 8.194 -5.487 1.00 0.00 C ATOM 1196 O ARG A 81 16.412 7.316 -5.698 1.00 0.00 O ATOM 1197 CB ARG A 81 14.061 8.728 -7.405 1.00 0.00 C ATOM 1198 CG ARG A 81 14.589 7.859 -8.534 1.00 0.00 C ATOM 1199 CD ARG A 81 16.094 8.006 -8.694 1.00 0.00 C ATOM 1200 NE ARG A 81 16.445 9.125 -9.565 1.00 0.00 N ATOM 1201 CZ ARG A 81 16.437 9.054 -10.892 1.00 0.00 C ATOM 1202 NH1 ARG A 81 16.097 7.924 -11.496 1.00 0.00 N ATOM 1203 NH2 ARG A 81 16.769 10.115 -11.616 1.00 0.00 N ATOM 0 H ARG A 81 13.027 9.664 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 81 13.915 7.008 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.020 8.980 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.618 9.665 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.343 6.816 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.095 8.132 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.550 8.152 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.507 7.084 -9.104 1.00 0.00 H new ATOM 0 HE ARG A 81 16.711 10.009 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.841 7.107 -10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.092 7.872 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.031 10.986 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.763 10.060 -12.634 1.00 0.00 H new ATOM 1217 N TYR A 82 15.841 9.293 -4.789 1.00 0.00 N ATOM 1218 CA TYR A 82 17.161 9.536 -4.220 1.00 0.00 C ATOM 1219 C TYR A 82 17.057 10.335 -2.924 1.00 0.00 C ATOM 1220 O TYR A 82 15.994 10.858 -2.587 1.00 0.00 O ATOM 1221 CB TYR A 82 18.043 10.282 -5.223 1.00 0.00 C ATOM 1222 CG TYR A 82 17.607 11.709 -5.468 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.396 11.990 -6.089 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.405 12.777 -5.077 1.00 0.00 C ATOM 1225 CE1 TYR A 82 15.994 13.292 -6.316 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.011 14.082 -5.298 1.00 0.00 C ATOM 1227 CZ TYR A 82 16.805 14.334 -5.919 1.00 0.00 C ATOM 1228 OH TYR A 82 16.408 15.633 -6.141 1.00 0.00 O ATOM 0 H TYR A 82 15.160 10.029 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 82 17.615 8.571 -3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.071 10.282 -4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 82 18.039 9.742 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.758 11.176 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.350 12.583 -4.592 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.050 13.492 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.643 14.900 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 82 17.092 16.247 -5.801 1.00 0.00 H new ATOM 1238 N TYR A 83 18.169 10.427 -2.203 1.00 0.00 N ATOM 1239 CA TYR A 83 18.204 11.161 -0.943 1.00 0.00 C ATOM 1240 C TYR A 83 19.517 11.924 -0.794 1.00 0.00 C ATOM 1241 O TYR A 83 20.600 11.357 -0.945 1.00 0.00 O ATOM 1242 CB TYR A 83 18.022 10.202 0.235 1.00 0.00 C ATOM 1243 CG TYR A 83 17.717 10.900 1.541 1.00 0.00 C ATOM 1244 CD1 TYR A 83 16.416 11.255 1.875 1.00 0.00 C ATOM 1245 CD2 TYR A 83 18.731 11.204 2.442 1.00 0.00 C ATOM 1246 CE1 TYR A 83 16.133 11.893 3.067 1.00 0.00 C ATOM 1247 CE2 TYR A 83 18.457 11.840 3.637 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.157 12.183 3.945 1.00 0.00 C ATOM 1249 OH TYR A 83 16.880 12.819 5.134 1.00 0.00 O ATOM 0 H TYR A 83 19.058 10.003 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 83 17.385 11.880 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.214 9.508 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.928 9.608 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.612 11.028 1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 83 19.750 10.938 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 83 15.116 12.163 3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.256 12.068 4.327 1.00 0.00 H new ATOM 0 HH TYR A 83 17.711 12.948 5.637 1.00 0.00 H new ATOM 1259 N THR A 84 19.412 13.215 -0.496 1.00 0.00 N ATOM 1260 CA THR A 84 20.589 14.058 -0.326 1.00 0.00 C ATOM 1261 C THR A 84 21.047 14.076 1.128 1.00 0.00 C ATOM 1262 O THR A 84 20.454 14.755 1.967 1.00 0.00 O ATOM 1263 CB THR A 84 20.316 15.503 -0.784 1.00 0.00 C ATOM 1264 OG1 THR A 84 19.838 15.507 -2.134 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.576 16.350 -0.684 1.00 0.00 C ATOM 0 H THR A 84 18.524 13.700 -0.367 1.00 0.00 H new ATOM 0 HA THR A 84 21.376 13.630 -0.947 1.00 0.00 H new ATOM 0 HB THR A 84 19.557 15.931 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.665 16.429 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.358 17.366 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.920 16.369 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.353 15.922 -1.317 1.00 0.00 H new ATOM 1273 N ILE A 85 22.105 13.327 1.419 1.00 0.00 N ATOM 1274 CA ILE A 85 22.644 13.260 2.772 1.00 0.00 C ATOM 1275 C ILE A 85 23.624 14.398 3.031 1.00 0.00 C ATOM 1276 O ILE A 85 24.753 14.382 2.540 1.00 0.00 O ATOM 1277 CB ILE A 85 23.353 11.917 3.029 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.407 10.751 2.736 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.856 11.850 4.463 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.099 9.406 2.702 1.00 0.00 C ATOM 0 H ILE A 85 22.606 12.758 0.736 1.00 0.00 H new ATOM 0 HA ILE A 85 21.798 13.351 3.454 1.00 0.00 H new ATOM 0 HB ILE A 85 24.210 11.842 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.625 10.729 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.917 10.923 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.355 10.895 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.560 12.663 4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 85 23.014 11.944 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.368 8.626 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.863 9.409 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.566 9.212 3.668 1.00 0.00 H new ATOM 1292 N GLU A 86 23.186 15.385 3.807 1.00 0.00 N ATOM 1293 CA GLU A 86 24.027 16.531 4.131 1.00 0.00 C ATOM 1294 C GLU A 86 24.577 16.418 5.550 1.00 0.00 C ATOM 1295 O GLU A 86 24.219 15.506 6.295 1.00 0.00 O ATOM 1296 CB GLU A 86 23.234 17.832 3.983 1.00 0.00 C ATOM 1297 CG GLU A 86 22.883 18.170 2.543 1.00 0.00 C ATOM 1298 CD GLU A 86 22.253 19.542 2.403 1.00 0.00 C ATOM 1299 OE1 GLU A 86 21.457 19.923 3.287 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.556 20.234 1.409 1.00 0.00 O ATOM 0 H GLU A 86 22.255 15.414 4.222 1.00 0.00 H new ATOM 0 HA GLU A 86 24.865 16.543 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.315 17.756 4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.813 18.651 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.785 18.125 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.197 17.418 2.154 1.00 0.00 H new ATOM 1307 N ASN A 87 25.450 17.350 5.916 1.00 0.00 N ATOM 1308 CA ASN A 87 26.052 17.355 7.245 1.00 0.00 C ATOM 1309 C ASN A 87 27.109 16.262 7.367 1.00 0.00 C ATOM 1310 O ASN A 87 27.158 15.539 8.363 1.00 0.00 O ATOM 1311 CB ASN A 87 24.976 17.161 8.315 1.00 0.00 C ATOM 1312 CG ASN A 87 23.727 17.973 8.033 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.722 19.196 8.178 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.659 17.296 7.629 1.00 0.00 N ATOM 0 H ASN A 87 25.757 18.112 5.311 1.00 0.00 H new ATOM 0 HA ASN A 87 26.534 18.321 7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.713 16.105 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.379 17.445 9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.790 17.789 7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.708 16.283 7.522 1.00 0.00 H new ATOM 1321 N LEU A 88 27.955 16.148 6.349 1.00 0.00 N ATOM 1322 CA LEU A 88 29.013 15.144 6.341 1.00 0.00 C ATOM 1323 C LEU A 88 30.384 15.800 6.215 1.00 0.00 C ATOM 1324 O LEU A 88 30.504 16.923 5.726 1.00 0.00 O ATOM 1325 CB LEU A 88 28.799 14.158 5.192 1.00 0.00 C ATOM 1326 CG LEU A 88 27.460 13.420 5.181 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.277 12.664 3.875 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.365 12.470 6.367 1.00 0.00 C ATOM 0 H LEU A 88 27.929 16.739 5.518 1.00 0.00 H new ATOM 0 HA LEU A 88 28.975 14.603 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.900 14.700 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.599 13.418 5.221 1.00 0.00 H new ATOM 0 HG LEU A 88 26.661 14.156 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.318 12.145 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.300 13.366 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.081 11.938 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.406 11.953 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.172 11.739 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.449 13.036 7.294 1.00 0.00 H new ATOM 1340 N ASP A 89 31.416 15.090 6.658 1.00 0.00 N ATOM 1341 CA ASP A 89 32.781 15.601 6.592 1.00 0.00 C ATOM 1342 C ASP A 89 33.425 15.257 5.253 1.00 0.00 C ATOM 1343 O ASP A 89 33.405 14.112 4.802 1.00 0.00 O ATOM 1344 CB ASP A 89 33.618 15.029 7.737 1.00 0.00 C ATOM 1345 CG ASP A 89 35.099 15.305 7.565 1.00 0.00 C ATOM 1346 OD1 ASP A 89 35.487 16.492 7.586 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.870 14.335 7.409 1.00 0.00 O ATOM 0 H ASP A 89 31.334 14.159 7.067 1.00 0.00 H new ATOM 0 HA ASP A 89 32.742 16.686 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.279 15.457 8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.457 13.953 7.799 1.00 0.00 H new ATOM 1352 N PRO A 90 34.011 16.272 4.600 1.00 0.00 N ATOM 1353 CA PRO A 90 34.672 16.103 3.303 1.00 0.00 C ATOM 1354 C PRO A 90 35.963 15.298 3.411 1.00 0.00 C ATOM 1355 O PRO A 90 36.682 15.391 4.406 1.00 0.00 O ATOM 1356 CB PRO A 90 34.972 17.539 2.867 1.00 0.00 C ATOM 1357 CG PRO A 90 35.051 18.312 4.138 1.00 0.00 C ATOM 1358 CD PRO A 90 34.073 17.664 5.078 1.00 0.00 C ATOM 0 HA PRO A 90 34.051 15.551 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.907 17.596 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.189 17.927 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 90 36.061 18.287 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.799 19.360 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.413 17.719 6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.097 18.147 5.037 1.00 0.00 H new ATOM 1366 N SER A 91 36.252 14.510 2.380 1.00 0.00 N ATOM 1367 CA SER A 91 37.455 13.687 2.362 1.00 0.00 C ATOM 1368 C SER A 91 37.301 12.479 3.281 1.00 0.00 C ATOM 1369 O SER A 91 38.121 12.255 4.172 1.00 0.00 O ATOM 1370 CB SER A 91 38.671 14.513 2.785 1.00 0.00 C ATOM 1371 OG SER A 91 39.878 13.874 2.409 1.00 0.00 O ATOM 0 H SER A 91 35.670 14.424 1.547 1.00 0.00 H new ATOM 0 HA SER A 91 37.605 13.329 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.621 15.501 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.656 14.662 3.865 1.00 0.00 H new ATOM 0 HG SER A 91 39.931 12.995 2.840 1.00 0.00 H new ATOM 1377 N SER A 92 36.245 11.704 3.057 1.00 0.00 N ATOM 1378 CA SER A 92 35.981 10.520 3.867 1.00 0.00 C ATOM 1379 C SER A 92 35.060 9.552 3.131 1.00 0.00 C ATOM 1380 O SER A 92 34.001 9.940 2.634 1.00 0.00 O ATOM 1381 CB SER A 92 35.354 10.921 5.204 1.00 0.00 C ATOM 1382 OG SER A 92 34.330 11.883 5.019 1.00 0.00 O ATOM 0 H SER A 92 35.559 11.874 2.322 1.00 0.00 H new ATOM 0 HA SER A 92 36.931 10.019 4.054 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.944 10.039 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 92 36.122 11.325 5.863 1.00 0.00 H new ATOM 0 HG SER A 92 34.718 12.783 5.044 1.00 0.00 H new ATOM 1388 N HIS A 93 35.470 8.290 3.063 1.00 0.00 N ATOM 1389 CA HIS A 93 34.683 7.265 2.387 1.00 0.00 C ATOM 1390 C HIS A 93 33.528 6.798 3.269 1.00 0.00 C ATOM 1391 O HIS A 93 33.731 6.405 4.418 1.00 0.00 O ATOM 1392 CB HIS A 93 35.568 6.076 2.014 1.00 0.00 C ATOM 1393 CG HIS A 93 34.803 4.808 1.786 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.066 3.638 2.467 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.777 4.532 0.948 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.236 2.696 2.056 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.442 3.213 1.135 1.00 0.00 N ATOM 0 H HIS A 93 36.343 7.952 3.468 1.00 0.00 H new ATOM 0 HA HIS A 93 34.270 7.700 1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.128 6.320 1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.297 5.913 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.309 5.221 0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.211 1.677 2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.701 2.714 0.643 1.00 0.00 H new ATOM 1406 N TYR A 94 32.318 6.844 2.723 1.00 0.00 N ATOM 1407 CA TYR A 94 31.131 6.429 3.461 1.00 0.00 C ATOM 1408 C TYR A 94 30.465 5.230 2.792 1.00 0.00 C ATOM 1409 O TYR A 94 30.348 5.173 1.568 1.00 0.00 O ATOM 1410 CB TYR A 94 30.137 7.587 3.563 1.00 0.00 C ATOM 1411 CG TYR A 94 30.416 8.525 4.716 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.286 9.598 4.570 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.808 8.338 5.951 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.544 10.456 5.620 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.059 9.193 7.007 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.928 10.250 6.837 1.00 0.00 C ATOM 1417 OH TYR A 94 31.182 11.104 7.886 1.00 0.00 O ATOM 0 H TYR A 94 32.133 7.164 1.772 1.00 0.00 H new ATOM 0 HA TYR A 94 31.442 6.137 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.155 8.154 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.131 7.182 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 94 31.769 9.764 3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.128 7.510 6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.225 11.284 5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.577 9.034 7.960 1.00 0.00 H new ATOM 0 HH TYR A 94 30.668 10.820 8.671 1.00 0.00 H new ATOM 1427 N VAL A 95 30.031 4.273 3.606 1.00 0.00 N ATOM 1428 CA VAL A 95 29.375 3.075 3.095 1.00 0.00 C ATOM 1429 C VAL A 95 27.858 3.224 3.124 1.00 0.00 C ATOM 1430 O VAL A 95 27.231 3.089 4.175 1.00 0.00 O ATOM 1431 CB VAL A 95 29.773 1.828 3.907 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.050 0.596 3.382 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.280 1.628 3.871 1.00 0.00 C ATOM 0 H VAL A 95 30.122 4.304 4.621 1.00 0.00 H new ATOM 0 HA VAL A 95 29.705 2.949 2.064 1.00 0.00 H new ATOM 0 HB VAL A 95 29.475 1.980 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.343 -0.275 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.973 0.743 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.315 0.437 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.543 0.743 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.605 1.497 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.773 2.501 4.299 1.00 0.00 H new ATOM 1443 N ILE A 96 27.274 3.503 1.963 1.00 0.00 N ATOM 1444 CA ILE A 96 25.830 3.669 1.855 1.00 0.00 C ATOM 1445 C ILE A 96 25.146 2.342 1.545 1.00 0.00 C ATOM 1446 O ILE A 96 25.631 1.555 0.731 1.00 0.00 O ATOM 1447 CB ILE A 96 25.461 4.692 0.764 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.937 6.090 1.163 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.959 4.687 0.520 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.338 6.409 0.690 1.00 0.00 C ATOM 0 H ILE A 96 27.779 3.619 1.084 1.00 0.00 H new ATOM 0 HA ILE A 96 25.481 4.038 2.820 1.00 0.00 H new ATOM 0 HB ILE A 96 25.961 4.410 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.248 6.830 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.899 6.182 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.714 5.415 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.646 3.694 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.440 4.948 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.609 7.416 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.039 5.692 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.377 6.350 -0.398 1.00 0.00 H new ATOM 1462 N THR A 97 24.014 2.099 2.198 1.00 0.00 N ATOM 1463 CA THR A 97 23.262 0.868 1.992 1.00 0.00 C ATOM 1464 C THR A 97 21.778 1.157 1.790 1.00 0.00 C ATOM 1465 O THR A 97 21.265 2.175 2.257 1.00 0.00 O ATOM 1466 CB THR A 97 23.428 -0.097 3.181 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.120 0.577 4.406 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.846 -0.645 3.239 1.00 0.00 C ATOM 0 H THR A 97 23.598 2.739 2.874 1.00 0.00 H new ATOM 0 HA THR A 97 23.664 0.399 1.094 1.00 0.00 H new ATOM 0 HB THR A 97 22.739 -0.930 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.641 1.405 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.939 -1.324 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.066 -1.183 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.550 0.179 3.355 1.00 0.00 H new ATOM 1476 N LEU A 98 21.095 0.256 1.093 1.00 0.00 N ATOM 1477 CA LEU A 98 19.668 0.414 0.830 1.00 0.00 C ATOM 1478 C LEU A 98 18.964 -0.938 0.818 1.00 0.00 C ATOM 1479 O LEU A 98 19.413 -1.879 0.163 1.00 0.00 O ATOM 1480 CB LEU A 98 19.452 1.127 -0.506 1.00 0.00 C ATOM 1481 CG LEU A 98 18.017 1.145 -1.032 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.280 2.377 -0.530 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.006 1.098 -2.553 1.00 0.00 C ATOM 0 H LEU A 98 21.505 -0.591 0.700 1.00 0.00 H new ATOM 0 HA LEU A 98 19.240 1.018 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.794 2.157 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.086 0.653 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 98 17.502 0.261 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.260 2.373 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.257 2.368 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.794 3.274 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.976 1.112 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.538 1.963 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.496 0.185 -2.892 1.00 0.00 H new ATOM 1495 N LYS A 99 17.855 -1.029 1.545 1.00 0.00 N ATOM 1496 CA LYS A 99 17.085 -2.264 1.616 1.00 0.00 C ATOM 1497 C LYS A 99 15.593 -1.985 1.463 1.00 0.00 C ATOM 1498 O LYS A 99 15.054 -1.079 2.097 1.00 0.00 O ATOM 1499 CB LYS A 99 17.348 -2.978 2.944 1.00 0.00 C ATOM 1500 CG LYS A 99 16.941 -2.165 4.162 1.00 0.00 C ATOM 1501 CD LYS A 99 16.885 -3.026 5.413 1.00 0.00 C ATOM 1502 CE LYS A 99 18.232 -3.073 6.118 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.261 -4.107 7.189 1.00 0.00 N ATOM 0 H LYS A 99 17.470 -0.260 2.094 1.00 0.00 H new ATOM 0 HA LYS A 99 17.402 -2.908 0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.807 -3.924 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.409 -3.217 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.650 -1.351 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.966 -1.710 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.130 -2.632 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.577 -4.037 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.016 -3.282 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.450 -2.096 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.195 -4.108 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.530 -3.894 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.078 -5.043 6.773 1.00 0.00 H new ATOM 1517 N ALA A 100 14.932 -2.771 0.619 1.00 0.00 N ATOM 1518 CA ALA A 100 13.502 -2.610 0.386 1.00 0.00 C ATOM 1519 C ALA A 100 12.688 -3.344 1.446 1.00 0.00 C ATOM 1520 O ALA A 100 12.931 -4.518 1.728 1.00 0.00 O ATOM 1521 CB ALA A 100 13.135 -3.108 -1.004 1.00 0.00 C ATOM 0 H ALA A 100 15.364 -3.525 0.085 1.00 0.00 H new ATOM 0 HA ALA A 100 13.264 -1.548 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.064 -2.982 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.684 -2.536 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.393 -4.163 -1.092 1.00 0.00 H new ATOM 1527 N PHE A 101 11.720 -2.646 2.030 1.00 0.00 N ATOM 1528 CA PHE A 101 10.870 -3.232 3.061 1.00 0.00 C ATOM 1529 C PHE A 101 9.400 -2.919 2.796 1.00 0.00 C ATOM 1530 O PHE A 101 9.075 -2.050 1.988 1.00 0.00 O ATOM 1531 CB PHE A 101 11.274 -2.711 4.441 1.00 0.00 C ATOM 1532 CG PHE A 101 10.889 -1.278 4.678 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.693 -0.247 4.218 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.724 -0.963 5.358 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.342 1.072 4.435 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.368 0.354 5.578 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.177 1.373 5.114 1.00 0.00 C ATOM 0 H PHE A 101 11.504 -1.674 1.807 1.00 0.00 H new ATOM 0 HA PHE A 101 11.003 -4.314 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.811 -3.334 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.353 -2.813 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.603 -0.477 3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.087 -1.756 5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.978 1.867 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.458 0.586 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.899 2.403 5.282 1.00 0.00 H new ATOM 1547 N ASN A 102 8.516 -3.634 3.484 1.00 0.00 N ATOM 1548 CA ASN A 102 7.080 -3.434 3.323 1.00 0.00 C ATOM 1549 C ASN A 102 6.308 -4.097 4.460 1.00 0.00 C ATOM 1550 O ASN A 102 6.898 -4.699 5.355 1.00 0.00 O ATOM 1551 CB ASN A 102 6.613 -3.995 1.979 1.00 0.00 C ATOM 1552 CG ASN A 102 6.614 -5.511 1.954 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.295 -6.156 2.751 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.848 -6.088 1.034 1.00 0.00 N ATOM 0 H ASN A 102 8.768 -4.357 4.158 1.00 0.00 H new ATOM 0 HA ASN A 102 6.882 -2.362 3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.608 -3.631 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.262 -3.621 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.808 -7.105 0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.300 -5.514 0.394 1.00 0.00 H new ATOM 1561 N ASN A 103 4.985 -3.981 4.415 1.00 0.00 N ATOM 1562 CA ASN A 103 4.131 -4.569 5.440 1.00 0.00 C ATOM 1563 C ASN A 103 4.553 -6.004 5.742 1.00 0.00 C ATOM 1564 O ASN A 103 4.454 -6.466 6.879 1.00 0.00 O ATOM 1565 CB ASN A 103 2.668 -4.539 4.994 1.00 0.00 C ATOM 1566 CG ASN A 103 2.186 -3.134 4.687 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.065 -2.748 3.525 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.908 -2.363 5.732 1.00 0.00 N ATOM 0 H ASN A 103 4.481 -3.485 3.680 1.00 0.00 H new ATOM 0 HA ASN A 103 4.238 -3.978 6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.548 -5.163 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.044 -4.972 5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.579 -1.408 5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.023 -2.726 6.678 1.00 0.00 H new ATOM 1575 N VAL A 104 5.023 -6.705 4.715 1.00 0.00 N ATOM 1576 CA VAL A 104 5.462 -8.087 4.870 1.00 0.00 C ATOM 1577 C VAL A 104 6.696 -8.175 5.761 1.00 0.00 C ATOM 1578 O VAL A 104 6.756 -8.995 6.676 1.00 0.00 O ATOM 1579 CB VAL A 104 5.780 -8.731 3.507 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.088 -10.211 3.675 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.625 -8.524 2.539 1.00 0.00 C ATOM 0 H VAL A 104 5.110 -6.339 3.767 1.00 0.00 H new ATOM 0 HA VAL A 104 4.640 -8.630 5.337 1.00 0.00 H new ATOM 0 HB VAL A 104 6.663 -8.246 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.310 -10.649 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.949 -10.331 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.226 -10.715 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.866 -8.985 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.723 -8.982 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.457 -7.457 2.396 1.00 0.00 H new ATOM 1591 N GLY A 105 7.679 -7.323 5.488 1.00 0.00 N ATOM 1592 CA GLY A 105 8.899 -7.321 6.274 1.00 0.00 C ATOM 1593 C GLY A 105 9.968 -6.423 5.684 1.00 0.00 C ATOM 1594 O GLY A 105 9.707 -5.262 5.369 1.00 0.00 O ATOM 0 H GLY A 105 7.652 -6.634 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.673 -6.993 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.283 -8.339 6.346 1.00 0.00 H new ATOM 1598 N GLU A 106 11.175 -6.960 5.535 1.00 0.00 N ATOM 1599 CA GLU A 106 12.287 -6.197 4.980 1.00 0.00 C ATOM 1600 C GLU A 106 13.000 -6.990 3.888 1.00 0.00 C ATOM 1601 O GLU A 106 12.777 -8.189 3.731 1.00 0.00 O ATOM 1602 CB GLU A 106 13.278 -5.824 6.085 1.00 0.00 C ATOM 1603 CG GLU A 106 12.730 -4.814 7.079 1.00 0.00 C ATOM 1604 CD GLU A 106 13.823 -4.023 7.770 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.537 -4.608 8.611 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.966 -2.819 7.469 1.00 0.00 O ATOM 0 H GLU A 106 11.408 -7.920 5.791 1.00 0.00 H new ATOM 0 HA GLU A 106 11.885 -5.285 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.569 -6.728 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.182 -5.419 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.061 -4.126 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.134 -5.334 7.829 1.00 0.00 H new ATOM 1613 N GLY A 107 13.859 -6.309 3.136 1.00 0.00 N ATOM 1614 CA GLY A 107 14.591 -6.964 2.068 1.00 0.00 C ATOM 1615 C GLY A 107 16.087 -6.975 2.312 1.00 0.00 C ATOM 1616 O GLY A 107 16.549 -6.594 3.388 1.00 0.00 O ATOM 0 H GLY A 107 14.061 -5.315 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.236 -7.989 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.383 -6.457 1.126 1.00 0.00 H new ATOM 1620 N ILE A 108 16.845 -7.414 1.313 1.00 0.00 N ATOM 1621 CA ILE A 108 18.297 -7.473 1.425 1.00 0.00 C ATOM 1622 C ILE A 108 18.930 -6.129 1.082 1.00 0.00 C ATOM 1623 O ILE A 108 18.700 -5.560 0.014 1.00 0.00 O ATOM 1624 CB ILE A 108 18.889 -8.556 0.504 1.00 0.00 C ATOM 1625 CG1 ILE A 108 17.974 -9.783 0.470 1.00 0.00 C ATOM 1626 CG2 ILE A 108 20.284 -8.943 0.970 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.956 -10.560 1.768 1.00 0.00 C ATOM 0 H ILE A 108 16.478 -7.734 0.417 1.00 0.00 H new ATOM 0 HA ILE A 108 18.523 -7.725 2.461 1.00 0.00 H new ATOM 0 HB ILE A 108 18.963 -8.152 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 108 16.959 -9.463 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.296 -10.444 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.689 -9.709 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.931 -8.066 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 108 20.233 -9.331 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 108 17.287 -11.415 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 108 18.963 -10.911 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 108 17.605 -9.915 2.573 1.00 0.00 H new ATOM 1639 N PRO A 109 19.749 -5.608 2.007 1.00 0.00 N ATOM 1640 CA PRO A 109 20.435 -4.325 1.825 1.00 0.00 C ATOM 1641 C PRO A 109 21.524 -4.396 0.759 1.00 0.00 C ATOM 1642 O PRO A 109 21.988 -5.480 0.402 1.00 0.00 O ATOM 1643 CB PRO A 109 21.050 -4.053 3.200 1.00 0.00 C ATOM 1644 CG PRO A 109 21.213 -5.400 3.815 1.00 0.00 C ATOM 1645 CD PRO A 109 20.070 -6.230 3.302 1.00 0.00 C ATOM 0 HA PRO A 109 19.755 -3.544 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 109 22.008 -3.540 3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.403 -3.417 3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.171 -5.842 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.192 -5.337 4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.354 -7.276 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.218 -6.204 3.982 1.00 0.00 H new ATOM 1653 N LEU A 110 21.928 -3.236 0.254 1.00 0.00 N ATOM 1654 CA LEU A 110 22.963 -3.166 -0.771 1.00 0.00 C ATOM 1655 C LEU A 110 24.227 -2.510 -0.225 1.00 0.00 C ATOM 1656 O LEU A 110 24.183 -1.785 0.769 1.00 0.00 O ATOM 1657 CB LEU A 110 22.455 -2.388 -1.985 1.00 0.00 C ATOM 1658 CG LEU A 110 21.496 -3.138 -2.911 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.959 -2.210 -3.989 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.190 -4.340 -3.536 1.00 0.00 C ATOM 0 H LEU A 110 21.554 -2.330 0.538 1.00 0.00 H new ATOM 0 HA LEU A 110 23.207 -4.184 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.955 -1.487 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.316 -2.066 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 110 20.655 -3.497 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.279 -2.761 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.425 -1.382 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.788 -1.820 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.493 -4.862 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.050 -4.003 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.524 -5.017 -2.750 1.00 0.00 H new ATOM 1672 N TYR A 111 25.352 -2.768 -0.882 1.00 0.00 N ATOM 1673 CA TYR A 111 26.629 -2.203 -0.462 1.00 0.00 C ATOM 1674 C TYR A 111 27.219 -1.317 -1.556 1.00 0.00 C ATOM 1675 O TYR A 111 27.357 -1.739 -2.703 1.00 0.00 O ATOM 1676 CB TYR A 111 27.614 -3.319 -0.109 1.00 0.00 C ATOM 1677 CG TYR A 111 27.432 -3.867 1.289 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.228 -4.438 1.681 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.466 -3.814 2.216 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.058 -4.939 2.958 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.305 -4.314 3.494 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.099 -4.875 3.860 1.00 0.00 C ATOM 1683 OH TYR A 111 26.934 -5.374 5.132 1.00 0.00 O ATOM 0 H TYR A 111 25.406 -3.365 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 111 26.452 -1.590 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.502 -4.132 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.631 -2.941 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.411 -4.491 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.411 -3.375 1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.115 -5.378 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.119 -4.266 4.202 1.00 0.00 H new ATOM 0 HH TYR A 111 27.762 -5.252 5.641 1.00 0.00 H new ATOM 1693 N GLU A 112 27.564 -0.087 -1.189 1.00 0.00 N ATOM 1694 CA GLU A 112 28.139 0.859 -2.138 1.00 0.00 C ATOM 1695 C GLU A 112 29.303 1.621 -1.511 1.00 0.00 C ATOM 1696 O GLU A 112 29.629 1.423 -0.340 1.00 0.00 O ATOM 1697 CB GLU A 112 27.071 1.844 -2.620 1.00 0.00 C ATOM 1698 CG GLU A 112 26.305 1.361 -3.841 1.00 0.00 C ATOM 1699 CD GLU A 112 27.219 0.871 -4.947 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.786 1.719 -5.667 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.366 -0.361 -5.093 1.00 0.00 O ATOM 0 H GLU A 112 27.456 0.277 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 112 28.515 0.295 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.367 2.029 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.546 2.797 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.632 0.556 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.684 2.173 -4.221 1.00 0.00 H new ATOM 1708 N SER A 113 29.926 2.492 -2.298 1.00 0.00 N ATOM 1709 CA SER A 113 31.056 3.280 -1.822 1.00 0.00 C ATOM 1710 C SER A 113 30.990 4.706 -2.362 1.00 0.00 C ATOM 1711 O SER A 113 30.665 4.925 -3.529 1.00 0.00 O ATOM 1712 CB SER A 113 32.374 2.625 -2.240 1.00 0.00 C ATOM 1713 OG SER A 113 32.439 2.462 -3.646 1.00 0.00 O ATOM 0 H SER A 113 29.667 2.670 -3.268 1.00 0.00 H new ATOM 0 HA SER A 113 31.007 3.319 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.211 3.237 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.472 1.655 -1.753 1.00 0.00 H new ATOM 0 HG SER A 113 33.291 2.043 -3.888 1.00 0.00 H new ATOM 1719 N ALA A 114 31.300 5.672 -1.504 1.00 0.00 N ATOM 1720 CA ALA A 114 31.277 7.076 -1.894 1.00 0.00 C ATOM 1721 C ALA A 114 32.037 7.937 -0.890 1.00 0.00 C ATOM 1722 O ALA A 114 31.644 8.048 0.271 1.00 0.00 O ATOM 1723 CB ALA A 114 29.843 7.564 -2.030 1.00 0.00 C ATOM 0 H ALA A 114 31.570 5.508 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 114 31.773 7.166 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.842 8.614 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.329 6.976 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.329 7.452 -1.076 1.00 0.00 H new ATOM 1729 N VAL A 115 33.129 8.544 -1.344 1.00 0.00 N ATOM 1730 CA VAL A 115 33.944 9.395 -0.486 1.00 0.00 C ATOM 1731 C VAL A 115 33.814 10.861 -0.882 1.00 0.00 C ATOM 1732 O VAL A 115 34.131 11.243 -2.009 1.00 0.00 O ATOM 1733 CB VAL A 115 35.429 8.990 -0.542 1.00 0.00 C ATOM 1734 CG1 VAL A 115 35.819 8.582 -1.954 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.310 10.126 -0.044 1.00 0.00 C ATOM 0 H VAL A 115 33.470 8.462 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 115 33.576 9.263 0.532 1.00 0.00 H new ATOM 0 HB VAL A 115 35.578 8.131 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 115 36.872 8.299 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 115 35.210 7.735 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 115 35.656 9.419 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.356 9.823 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.159 11.005 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 115 36.047 10.365 0.986 1.00 0.00 H new ATOM 1745 N THR A 116 33.344 11.681 0.053 1.00 0.00 N ATOM 1746 CA THR A 116 33.170 13.106 -0.198 1.00 0.00 C ATOM 1747 C THR A 116 34.346 13.674 -0.985 1.00 0.00 C ATOM 1748 O THR A 116 35.435 13.099 -0.993 1.00 0.00 O ATOM 1749 CB THR A 116 33.020 13.894 1.117 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.007 13.464 2.061 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.631 13.703 1.707 1.00 0.00 C ATOM 0 H THR A 116 33.077 11.382 0.991 1.00 0.00 H new ATOM 0 HA THR A 116 32.258 13.214 -0.784 1.00 0.00 H new ATOM 0 HB THR A 116 33.163 14.952 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.673 13.607 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.549 14.269 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.883 14.058 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.465 12.645 1.911 1.00 0.00 H new ATOM 1759 N ARG A 117 34.119 14.804 -1.646 1.00 0.00 N ATOM 1760 CA ARG A 117 35.161 15.449 -2.437 1.00 0.00 C ATOM 1761 C ARG A 117 35.979 16.409 -1.579 1.00 0.00 C ATOM 1762 O ARG A 117 35.541 16.863 -0.522 1.00 0.00 O ATOM 1763 CB ARG A 117 34.543 16.202 -3.616 1.00 0.00 C ATOM 1764 CG ARG A 117 34.406 15.358 -4.873 1.00 0.00 C ATOM 1765 CD ARG A 117 33.707 16.125 -5.985 1.00 0.00 C ATOM 1766 NE ARG A 117 33.164 15.233 -7.006 1.00 0.00 N ATOM 1767 CZ ARG A 117 33.916 14.561 -7.871 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.236 14.678 -7.838 1.00 0.00 N ATOM 1769 NH2 ARG A 117 33.347 13.769 -8.771 1.00 0.00 N ATOM 0 H ARG A 117 33.223 15.292 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 117 35.825 14.674 -2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.559 16.569 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.156 17.075 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.393 15.044 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.844 14.452 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 117 32.901 16.724 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.411 16.818 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 117 32.152 15.120 -7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.677 15.285 -7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.811 14.161 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 117 32.332 13.676 -8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 117 33.925 13.253 -9.435 1.00 0.00 H new ATOM 1783 N PRO A 118 37.197 16.727 -2.043 1.00 0.00 N ATOM 1784 CA PRO A 118 38.102 17.636 -1.334 1.00 0.00 C ATOM 1785 C PRO A 118 37.610 19.079 -1.357 1.00 0.00 C ATOM 1786 O PRO A 118 37.676 19.752 -2.386 1.00 0.00 O ATOM 1787 CB PRO A 118 39.415 17.507 -2.110 1.00 0.00 C ATOM 1788 CG PRO A 118 39.006 17.080 -3.477 1.00 0.00 C ATOM 1789 CD PRO A 118 37.784 16.223 -3.296 1.00 0.00 C ATOM 0 HA PRO A 118 38.188 17.382 -0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.954 18.454 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.078 16.775 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 118 38.788 17.943 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.804 16.522 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.094 16.326 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.041 15.166 -3.223 1.00 0.00 H new