USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 769 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 120 MET CE :methyl -123:sc= -1.87! (180deg=-0.445) USER MOD Set 1.2: A 125 GLN : amide:sc= -3.36 X(o=-5.2,f=-5) USER MOD Set 2.1: A 121 THR OG1 : rot 158:sc= 0.0629 USER MOD Set 2.2: A 123 GLN :FLIP amide:sc= 0.641 F(o=-0.72,f=0.7) USER MOD Set 3.1: A 70 THR OG1 : rot -63:sc= 0.779 USER MOD Set 3.2: A 109 THR OG1 : rot -114:sc= 0.118 USER MOD Set 4.1: A 86 HIS :FLIP no HE2:sc=0.000102 F(o=-0.56,f=0.0001) USER MOD Set 4.2: A 108 SER OG : rot -150:sc= 0 USER MOD Set 5.1: A 74 LYS NZ :NH3+ 156:sc= -1.19 (180deg=-2.1!) USER MOD Set 5.2: A 111 SER OG : rot -159:sc= -0.478 USER MOD Set 6.1: A 36 ASN : amide:sc= 0.928 K(o=1.4,f=-0.23) USER MOD Set 6.2: A 77 TYR OH : rot -23:sc= 0.482 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 80:sc= -2.98! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 108:sc= -1.67! USER MOD Single : A 35 THR OG1 : rot -58:sc= 0.23 USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 57 GLN : amide:sc= -3.25! C(o=-3.2!,f=-3.4!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 95:sc= 0.886 USER MOD Single : A 62 MET CE :methyl -114:sc= -7.04! (180deg=-16.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.09 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 115:sc= 1.14 USER MOD Single : A 88 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.7) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -114:sc= -2.84 (180deg=-4.24!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.00791 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 141:sc= -0.0475 (180deg=-0.875) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 77:sc=-0.00813 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -4.970 -13.217 -8.574 1.00 0.00 N ATOM 319 CA ASP A 21 -4.816 -14.343 -7.657 1.00 0.00 C ATOM 320 C ASP A 21 -3.839 -14.002 -6.536 1.00 0.00 C ATOM 321 O ASP A 21 -2.659 -13.756 -6.781 1.00 0.00 O ATOM 322 CB ASP A 21 -4.331 -15.581 -8.413 1.00 0.00 C ATOM 323 CG ASP A 21 -5.455 -16.290 -9.142 1.00 0.00 C ATOM 324 OD1 ASP A 21 -6.229 -17.013 -8.480 1.00 0.00 O ATOM 325 OD2 ASP A 21 -5.561 -16.122 -10.376 1.00 0.00 O ATOM 0 HA ASP A 21 -5.789 -14.555 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.564 -15.288 -9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.864 -16.272 -7.711 1.00 0.00 H new ATOM 330 N ARG A 22 -4.343 -13.988 -5.304 1.00 0.00 N ATOM 331 CA ARG A 22 -3.525 -13.674 -4.132 1.00 0.00 C ATOM 332 C ARG A 22 -2.182 -14.413 -4.162 1.00 0.00 C ATOM 333 O ARG A 22 -1.202 -13.953 -3.577 1.00 0.00 O ATOM 334 CB ARG A 22 -4.285 -14.033 -2.853 1.00 0.00 C ATOM 335 CG ARG A 22 -4.725 -12.821 -2.046 1.00 0.00 C ATOM 336 CD ARG A 22 -6.220 -12.573 -2.180 1.00 0.00 C ATOM 337 NE ARG A 22 -6.973 -13.158 -1.073 1.00 0.00 N ATOM 338 CZ ARG A 22 -8.059 -13.916 -1.222 1.00 0.00 C ATOM 339 NH1 ARG A 22 -8.537 -14.185 -2.432 1.00 0.00 N ATOM 340 NH2 ARG A 22 -8.673 -14.406 -0.155 1.00 0.00 N ATOM 0 H ARG A 22 -5.319 -14.191 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.319 -12.604 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.163 -14.623 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.652 -14.664 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.473 -12.971 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.178 -11.941 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.407 -11.500 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.574 -12.993 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.646 -12.974 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.072 -13.810 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.369 -14.766 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.314 -14.203 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.504 -14.986 -0.267 1.00 0.00 H new ATOM 354 N GLU A 23 -2.148 -15.563 -4.830 1.00 0.00 N ATOM 355 CA GLU A 23 -0.927 -16.364 -4.915 1.00 0.00 C ATOM 356 C GLU A 23 -0.216 -16.177 -6.255 1.00 0.00 C ATOM 357 O GLU A 23 0.987 -15.916 -6.296 1.00 0.00 O ATOM 358 CB GLU A 23 -1.252 -17.844 -4.699 1.00 0.00 C ATOM 359 CG GLU A 23 -0.355 -18.518 -3.672 1.00 0.00 C ATOM 360 CD GLU A 23 -0.213 -20.008 -3.913 1.00 0.00 C ATOM 361 OE1 GLU A 23 0.406 -20.390 -4.927 1.00 0.00 O ATOM 362 OE2 GLU A 23 -0.722 -20.793 -3.084 1.00 0.00 O ATOM 0 H GLU A 23 -2.949 -15.962 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.253 -16.020 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.290 -17.937 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.162 -18.370 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.631 -18.054 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.762 -18.352 -2.674 1.00 0.00 H new ATOM 369 N LYS A 24 -0.959 -16.318 -7.350 1.00 0.00 N ATOM 370 CA LYS A 24 -0.390 -16.169 -8.690 1.00 0.00 C ATOM 371 C LYS A 24 -0.441 -14.716 -9.159 1.00 0.00 C ATOM 372 O LYS A 24 -0.546 -14.441 -10.354 1.00 0.00 O ATOM 373 CB LYS A 24 -1.135 -17.064 -9.683 1.00 0.00 C ATOM 374 CG LYS A 24 -0.903 -18.549 -9.456 1.00 0.00 C ATOM 375 CD LYS A 24 0.470 -18.983 -9.949 1.00 0.00 C ATOM 376 CE LYS A 24 1.426 -19.235 -8.792 1.00 0.00 C ATOM 377 NZ LYS A 24 2.731 -18.544 -8.987 1.00 0.00 N ATOM 0 H LYS A 24 -1.956 -16.535 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 24 0.656 -16.473 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.203 -16.857 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.824 -16.807 -10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.997 -18.774 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.673 -19.121 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.373 -19.890 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.883 -18.214 -10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.970 -18.893 -7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.595 -20.307 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.353 -18.741 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.179 -18.889 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.573 -17.519 -9.061 1.00 0.00 H new ATOM 391 N THR A 25 -0.374 -13.794 -8.208 1.00 0.00 N ATOM 392 CA THR A 25 -0.419 -12.367 -8.505 1.00 0.00 C ATOM 393 C THR A 25 0.919 -11.857 -9.031 1.00 0.00 C ATOM 394 O THR A 25 1.966 -12.461 -8.797 1.00 0.00 O ATOM 395 CB THR A 25 -0.783 -11.596 -7.242 1.00 0.00 C ATOM 396 OG1 THR A 25 -0.643 -10.203 -7.449 1.00 0.00 O ATOM 397 CG2 THR A 25 0.078 -11.979 -6.057 1.00 0.00 C ATOM 0 H THR A 25 -0.287 -14.011 -7.215 1.00 0.00 H new ATOM 0 HA THR A 25 -1.171 -12.212 -9.278 1.00 0.00 H new ATOM 0 HB THR A 25 -1.819 -11.854 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.428 -9.863 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.225 -11.399 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.044 -13.042 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.124 -11.772 -6.285 1.00 0.00 H new ATOM 405 N SER A 26 0.873 -10.722 -9.724 1.00 0.00 N ATOM 406 CA SER A 26 2.076 -10.100 -10.266 1.00 0.00 C ATOM 407 C SER A 26 2.434 -8.852 -9.455 1.00 0.00 C ATOM 408 O SER A 26 1.546 -8.127 -9.010 1.00 0.00 O ATOM 409 CB SER A 26 1.872 -9.731 -11.736 1.00 0.00 C ATOM 410 OG SER A 26 2.138 -10.836 -12.582 1.00 0.00 O ATOM 0 H SER A 26 0.012 -10.213 -9.923 1.00 0.00 H new ATOM 0 HA SER A 26 2.897 -10.814 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.848 -9.390 -11.890 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.527 -8.901 -12.000 1.00 0.00 H new ATOM 0 HG SER A 26 1.999 -10.574 -13.516 1.00 0.00 H new ATOM 416 N PRO A 27 3.736 -8.583 -9.245 1.00 0.00 N ATOM 417 CA PRO A 27 4.182 -7.419 -8.482 1.00 0.00 C ATOM 418 C PRO A 27 4.115 -6.128 -9.293 1.00 0.00 C ATOM 419 O PRO A 27 4.272 -6.140 -10.514 1.00 0.00 O ATOM 420 CB PRO A 27 5.639 -7.749 -8.115 1.00 0.00 C ATOM 421 CG PRO A 27 5.923 -9.107 -8.684 1.00 0.00 C ATOM 422 CD PRO A 27 4.870 -9.377 -9.723 1.00 0.00 C ATOM 0 HA PRO A 27 3.546 -7.243 -7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.321 -7.005 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.778 -7.744 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.919 -9.139 -9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.897 -9.866 -7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.192 -9.066 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.625 -10.437 -9.785 1.00 0.00 H new ATOM 430 N LEU A 28 3.883 -5.015 -8.602 1.00 0.00 N ATOM 431 CA LEU A 28 3.795 -3.711 -9.249 1.00 0.00 C ATOM 432 C LEU A 28 4.523 -2.650 -8.426 1.00 0.00 C ATOM 433 O LEU A 28 4.754 -2.831 -7.231 1.00 0.00 O ATOM 434 CB LEU A 28 2.327 -3.311 -9.446 1.00 0.00 C ATOM 435 CG LEU A 28 1.621 -2.774 -8.197 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.787 -1.266 -8.098 1.00 0.00 C ATOM 437 CD2 LEU A 28 0.147 -3.147 -8.213 1.00 0.00 C ATOM 0 H LEU A 28 3.752 -4.991 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 28 4.275 -3.781 -10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.276 -2.552 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.777 -4.179 -9.809 1.00 0.00 H new ATOM 0 HG LEU A 28 2.081 -3.230 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.279 -0.902 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.847 -1.020 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.354 -0.794 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.337 -2.757 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.327 -2.720 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.047 -4.232 -8.236 1.00 0.00 H new ATOM 449 N LEU A 29 4.877 -1.544 -9.070 1.00 0.00 N ATOM 450 CA LEU A 29 5.574 -0.457 -8.394 1.00 0.00 C ATOM 451 C LEU A 29 4.584 0.501 -7.736 1.00 0.00 C ATOM 452 O LEU A 29 3.717 1.064 -8.402 1.00 0.00 O ATOM 453 CB LEU A 29 6.464 0.303 -9.388 1.00 0.00 C ATOM 454 CG LEU A 29 6.944 1.684 -8.928 1.00 0.00 C ATOM 455 CD1 LEU A 29 7.370 1.648 -7.467 1.00 0.00 C ATOM 456 CD2 LEU A 29 8.088 2.168 -9.808 1.00 0.00 C ATOM 0 H LEU A 29 4.693 -1.377 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 29 6.201 -0.889 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.338 -0.310 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.915 0.422 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 29 6.114 2.385 -9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.707 2.639 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.525 1.346 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.184 0.934 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.418 3.150 -9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.918 1.465 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.748 2.237 -10.841 1.00 0.00 H new ATOM 468 N LEU A 30 4.721 0.682 -6.424 1.00 0.00 N ATOM 469 CA LEU A 30 3.833 1.576 -5.684 1.00 0.00 C ATOM 470 C LEU A 30 4.619 2.554 -4.819 1.00 0.00 C ATOM 471 O LEU A 30 5.701 2.231 -4.329 1.00 0.00 O ATOM 472 CB LEU A 30 2.875 0.768 -4.806 1.00 0.00 C ATOM 473 CG LEU A 30 1.711 1.562 -4.219 1.00 0.00 C ATOM 474 CD1 LEU A 30 0.811 2.083 -5.326 1.00 0.00 C ATOM 475 CD2 LEU A 30 0.919 0.703 -3.244 1.00 0.00 C ATOM 0 H LEU A 30 5.433 0.225 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 30 3.261 2.149 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.472 -0.055 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.442 0.325 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 30 2.114 2.416 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.014 2.647 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.385 2.733 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.414 1.244 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.093 1.285 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.525 -0.170 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.571 0.378 -2.433 1.00 0.00 H new ATOM 487 N ARG A 31 4.063 3.748 -4.638 1.00 0.00 N ATOM 488 CA ARG A 31 4.706 4.778 -3.833 1.00 0.00 C ATOM 489 C ARG A 31 3.952 5.008 -2.524 1.00 0.00 C ATOM 490 O ARG A 31 2.751 5.304 -2.522 1.00 0.00 O ATOM 491 CB ARG A 31 4.807 6.084 -4.619 1.00 0.00 C ATOM 492 CG ARG A 31 3.504 6.506 -5.275 1.00 0.00 C ATOM 493 CD ARG A 31 3.524 7.978 -5.645 1.00 0.00 C ATOM 494 NE ARG A 31 4.267 8.224 -6.880 1.00 0.00 N ATOM 495 CZ ARG A 31 3.736 8.132 -8.099 1.00 0.00 C ATOM 496 NH1 ARG A 31 2.463 7.793 -8.254 1.00 0.00 N ATOM 497 NH2 ARG A 31 4.483 8.379 -9.166 1.00 0.00 N ATOM 0 H ARG A 31 3.167 4.025 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 31 5.711 4.433 -3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.139 6.876 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.572 5.976 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.334 5.906 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.673 6.311 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.501 8.336 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.972 8.550 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 31 5.251 8.482 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.883 7.601 -7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.064 7.725 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.463 8.639 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.078 8.309 -10.099 1.00 0.00 H new ATOM 511 N VAL A 32 4.673 4.874 -1.414 1.00 0.00 N ATOM 512 CA VAL A 32 4.093 5.067 -0.093 1.00 0.00 C ATOM 513 C VAL A 32 4.912 6.052 0.730 1.00 0.00 C ATOM 514 O VAL A 32 6.137 5.969 0.782 1.00 0.00 O ATOM 515 CB VAL A 32 3.990 3.742 0.684 1.00 0.00 C ATOM 516 CG1 VAL A 32 2.964 2.822 0.049 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.349 3.062 0.770 1.00 0.00 C ATOM 0 H VAL A 32 5.664 4.631 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 32 3.091 5.466 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 32 3.658 3.967 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.909 1.892 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.988 3.308 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.257 2.604 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.254 2.128 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.716 2.853 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.052 3.718 1.284 1.00 0.00 H new ATOM 527 N PHE A 33 4.222 6.976 1.388 1.00 0.00 N ATOM 528 CA PHE A 33 4.876 7.972 2.227 1.00 0.00 C ATOM 529 C PHE A 33 4.690 7.609 3.694 1.00 0.00 C ATOM 530 O PHE A 33 3.592 7.727 4.237 1.00 0.00 O ATOM 531 CB PHE A 33 4.310 9.363 1.938 1.00 0.00 C ATOM 532 CG PHE A 33 4.186 9.657 0.468 1.00 0.00 C ATOM 533 CD1 PHE A 33 3.228 9.014 -0.301 1.00 0.00 C ATOM 534 CD2 PHE A 33 5.031 10.568 -0.143 1.00 0.00 C ATOM 535 CE1 PHE A 33 3.115 9.276 -1.653 1.00 0.00 C ATOM 536 CE2 PHE A 33 4.922 10.835 -1.495 1.00 0.00 C ATOM 537 CZ PHE A 33 3.963 10.187 -2.252 1.00 0.00 C ATOM 0 H PHE A 33 3.206 7.056 1.356 1.00 0.00 H new ATOM 0 HA PHE A 33 5.942 7.986 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.329 9.453 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.953 10.113 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.563 8.300 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.783 11.075 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.364 8.769 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.585 11.549 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.877 10.393 -3.309 1.00 0.00 H new ATOM 547 N THR A 34 5.759 7.134 4.321 1.00 0.00 N ATOM 548 CA THR A 34 5.699 6.719 5.713 1.00 0.00 C ATOM 549 C THR A 34 6.403 7.696 6.646 1.00 0.00 C ATOM 550 O THR A 34 7.528 8.124 6.393 1.00 0.00 O ATOM 551 CB THR A 34 6.322 5.330 5.868 1.00 0.00 C ATOM 552 OG1 THR A 34 7.650 5.320 5.375 1.00 0.00 O ATOM 553 CG2 THR A 34 5.555 4.247 5.145 1.00 0.00 C ATOM 0 H THR A 34 6.676 7.027 3.887 1.00 0.00 H new ATOM 0 HA THR A 34 4.646 6.697 5.995 1.00 0.00 H new ATOM 0 HB THR A 34 6.296 5.118 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.277 5.259 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.050 3.288 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.539 4.197 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.521 4.474 4.080 1.00 0.00 H new ATOM 561 N THR A 35 5.731 8.007 7.748 1.00 0.00 N ATOM 562 CA THR A 35 6.278 8.898 8.768 1.00 0.00 C ATOM 563 C THR A 35 6.843 8.050 9.905 1.00 0.00 C ATOM 564 O THR A 35 6.593 6.847 9.958 1.00 0.00 O ATOM 565 CB THR A 35 5.196 9.848 9.301 1.00 0.00 C ATOM 566 OG1 THR A 35 4.551 9.295 10.434 1.00 0.00 O ATOM 567 CG2 THR A 35 4.121 10.181 8.285 1.00 0.00 C ATOM 0 H THR A 35 4.798 7.653 7.960 1.00 0.00 H new ATOM 0 HA THR A 35 7.068 9.507 8.329 1.00 0.00 H new ATOM 0 HB THR A 35 5.730 10.764 9.553 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.156 8.430 10.196 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.393 10.856 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.575 10.662 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.621 9.265 7.971 1.00 0.00 H new ATOM 575 N ASN A 36 7.607 8.657 10.808 1.00 0.00 N ATOM 576 CA ASN A 36 8.188 7.906 11.920 1.00 0.00 C ATOM 577 C ASN A 36 7.487 8.230 13.240 1.00 0.00 C ATOM 578 O ASN A 36 8.041 8.014 14.318 1.00 0.00 O ATOM 579 CB ASN A 36 9.683 8.201 12.038 1.00 0.00 C ATOM 580 CG ASN A 36 10.450 7.062 12.686 1.00 0.00 C ATOM 581 OD1 ASN A 36 11.087 6.261 12.001 1.00 0.00 O ATOM 582 ND2 ASN A 36 10.389 6.984 14.008 1.00 0.00 N ATOM 0 H ASN A 36 7.837 9.651 10.795 1.00 0.00 H new ATOM 0 HA ASN A 36 8.047 6.845 11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.092 8.392 11.046 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.826 9.110 12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.882 6.238 14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.849 7.670 14.535 1.00 0.00 H new ATOM 589 N ASN A 37 6.265 8.746 13.148 1.00 0.00 N ATOM 590 CA ASN A 37 5.491 9.092 14.338 1.00 0.00 C ATOM 591 C ASN A 37 3.993 8.867 14.118 1.00 0.00 C ATOM 592 O ASN A 37 3.175 9.204 14.975 1.00 0.00 O ATOM 593 CB ASN A 37 5.750 10.547 14.729 1.00 0.00 C ATOM 594 CG ASN A 37 6.066 10.702 16.202 1.00 0.00 C ATOM 595 OD1 ASN A 37 5.158 11.333 16.939 1.00 0.00 O flip ATOM 596 ND2 ASN A 37 7.111 10.259 16.676 1.00 0.00 N flip ATOM 0 H ASN A 37 5.790 8.934 12.265 1.00 0.00 H new ATOM 0 HA ASN A 37 5.813 8.437 15.148 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.580 10.937 14.139 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.874 11.148 14.483 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.781 9.781 16.074 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.307 10.370 17.671 1.00 0.00 H new ATOM 603 N GLY A 38 3.634 8.292 12.968 1.00 0.00 N ATOM 604 CA GLY A 38 2.241 8.036 12.671 1.00 0.00 C ATOM 605 C GLY A 38 1.415 9.306 12.622 1.00 0.00 C ATOM 606 O GLY A 38 0.436 9.440 13.355 1.00 0.00 O ATOM 0 H GLY A 38 4.287 8.001 12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.166 7.520 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.829 7.367 13.427 1.00 0.00 H new ATOM 610 N ARG A 39 1.812 10.243 11.766 1.00 0.00 N ATOM 611 CA ARG A 39 1.098 11.510 11.645 1.00 0.00 C ATOM 612 C ARG A 39 0.561 11.725 10.231 1.00 0.00 C ATOM 613 O ARG A 39 1.314 11.735 9.258 1.00 0.00 O ATOM 614 CB ARG A 39 2.013 12.668 12.048 1.00 0.00 C ATOM 615 CG ARG A 39 1.986 12.968 13.539 1.00 0.00 C ATOM 616 CD ARG A 39 2.474 11.782 14.356 1.00 0.00 C ATOM 617 NE ARG A 39 1.405 11.189 15.155 1.00 0.00 N ATOM 618 CZ ARG A 39 0.905 11.748 16.256 1.00 0.00 C ATOM 619 NH1 ARG A 39 1.367 12.916 16.684 1.00 0.00 N ATOM 620 NH2 ARG A 39 -0.061 11.137 16.929 1.00 0.00 N ATOM 0 H ARG A 39 2.619 10.150 11.149 1.00 0.00 H new ATOM 0 HA ARG A 39 0.242 11.476 12.319 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.035 12.434 11.750 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.718 13.562 11.499 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.611 13.836 13.748 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.971 13.226 13.841 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.888 11.027 13.687 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.282 12.103 15.013 1.00 0.00 H new ATOM 0 HE ARG A 39 1.019 10.295 14.852 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.109 13.391 16.169 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.980 13.339 17.528 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.421 10.240 16.603 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.444 11.564 17.772 1.00 0.00 H new ATOM 864 N GLU A 55 8.848 9.064 0.424 1.00 0.00 N ATOM 865 CA GLU A 55 8.181 8.028 -0.357 1.00 0.00 C ATOM 866 C GLU A 55 9.098 6.828 -0.572 1.00 0.00 C ATOM 867 O GLU A 55 10.282 6.985 -0.864 1.00 0.00 O ATOM 868 CB GLU A 55 7.733 8.589 -1.709 1.00 0.00 C ATOM 869 CG GLU A 55 8.834 9.319 -2.460 1.00 0.00 C ATOM 870 CD GLU A 55 8.479 9.577 -3.911 1.00 0.00 C ATOM 871 OE1 GLU A 55 8.168 8.602 -4.628 1.00 0.00 O ATOM 872 OE2 GLU A 55 8.510 10.753 -4.330 1.00 0.00 O ATOM 0 HA GLU A 55 7.306 7.696 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.363 7.771 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.898 9.272 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.038 10.269 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.751 8.732 -2.413 1.00 0.00 H new ATOM 879 N LEU A 56 8.539 5.631 -0.430 1.00 0.00 N ATOM 880 CA LEU A 56 9.307 4.401 -0.617 1.00 0.00 C ATOM 881 C LEU A 56 8.659 3.513 -1.673 1.00 0.00 C ATOM 882 O LEU A 56 7.437 3.372 -1.716 1.00 0.00 O ATOM 883 CB LEU A 56 9.442 3.629 0.703 1.00 0.00 C ATOM 884 CG LEU A 56 8.389 3.941 1.770 1.00 0.00 C ATOM 885 CD1 LEU A 56 8.058 2.692 2.570 1.00 0.00 C ATOM 886 CD2 LEU A 56 8.873 5.051 2.691 1.00 0.00 C ATOM 0 H LEU A 56 7.559 5.484 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 56 10.303 4.683 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.404 2.562 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.427 3.833 1.122 1.00 0.00 H new ATOM 0 HG LEU A 56 7.482 4.282 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.308 2.931 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.668 1.924 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.960 2.324 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.111 5.258 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.794 4.739 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.062 5.952 2.107 1.00 0.00 H new ATOM 898 N GLN A 57 9.488 2.915 -2.524 1.00 0.00 N ATOM 899 CA GLN A 57 8.995 2.041 -3.581 1.00 0.00 C ATOM 900 C GLN A 57 8.973 0.587 -3.119 1.00 0.00 C ATOM 901 O GLN A 57 9.966 0.073 -2.604 1.00 0.00 O ATOM 902 CB GLN A 57 9.868 2.176 -4.831 1.00 0.00 C ATOM 903 CG GLN A 57 10.140 3.616 -5.231 1.00 0.00 C ATOM 904 CD GLN A 57 9.014 4.216 -6.049 1.00 0.00 C ATOM 905 OE1 GLN A 57 9.157 4.443 -7.251 1.00 0.00 O ATOM 906 NE2 GLN A 57 7.885 4.478 -5.401 1.00 0.00 N ATOM 0 H GLN A 57 10.502 3.020 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 57 7.976 2.343 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.818 1.671 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.382 1.663 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.292 4.216 -4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.065 3.661 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.810 4.274 -4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.093 4.883 -5.900 1.00 0.00 H new ATOM 915 N ILE A 58 7.834 -0.070 -3.311 1.00 0.00 N ATOM 916 CA ILE A 58 7.681 -1.469 -2.919 1.00 0.00 C ATOM 917 C ILE A 58 6.962 -2.256 -4.008 1.00 0.00 C ATOM 918 O ILE A 58 6.020 -1.759 -4.630 1.00 0.00 O ATOM 919 CB ILE A 58 6.911 -1.634 -1.584 1.00 0.00 C ATOM 920 CG1 ILE A 58 6.472 -0.281 -1.008 1.00 0.00 C ATOM 921 CG2 ILE A 58 7.773 -2.381 -0.577 1.00 0.00 C ATOM 922 CD1 ILE A 58 5.058 0.105 -1.386 1.00 0.00 C ATOM 0 H ILE A 58 7.003 0.342 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 58 8.689 -1.859 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 58 6.009 -2.211 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.553 -0.314 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.157 0.493 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.225 -2.493 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.023 -3.366 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.690 -1.820 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.814 1.072 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.976 0.170 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.364 -0.649 -1.015 1.00 0.00 H new ATOM 934 N TYR A 59 7.412 -3.486 -4.235 1.00 0.00 N ATOM 935 CA TYR A 59 6.810 -4.344 -5.247 1.00 0.00 C ATOM 936 C TYR A 59 5.712 -5.207 -4.634 1.00 0.00 C ATOM 937 O TYR A 59 5.989 -6.244 -4.031 1.00 0.00 O ATOM 938 CB TYR A 59 7.876 -5.230 -5.894 1.00 0.00 C ATOM 939 CG TYR A 59 8.854 -4.464 -6.757 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.456 -3.908 -7.966 1.00 0.00 C ATOM 941 CD2 TYR A 59 10.175 -4.293 -6.360 1.00 0.00 C ATOM 942 CE1 TYR A 59 9.346 -3.206 -8.756 1.00 0.00 C ATOM 943 CE2 TYR A 59 11.070 -3.592 -7.144 1.00 0.00 C ATOM 944 CZ TYR A 59 10.651 -3.050 -8.341 1.00 0.00 C ATOM 945 OH TYR A 59 11.541 -2.350 -9.124 1.00 0.00 O ATOM 0 H TYR A 59 8.191 -3.910 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 59 6.365 -3.710 -6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.426 -5.753 -5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.385 -5.990 -6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.434 -4.026 -8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.507 -4.715 -5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.021 -2.782 -9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 59 12.093 -3.469 -6.821 1.00 0.00 H new ATOM 0 HH TYR A 59 12.418 -2.332 -8.687 1.00 0.00 H new ATOM 955 N THR A 60 4.468 -4.766 -4.786 1.00 0.00 N ATOM 956 CA THR A 60 3.330 -5.491 -4.240 1.00 0.00 C ATOM 957 C THR A 60 2.222 -5.639 -5.276 1.00 0.00 C ATOM 958 O THR A 60 2.372 -5.229 -6.424 1.00 0.00 O ATOM 959 CB THR A 60 2.800 -4.778 -2.998 1.00 0.00 C ATOM 960 OG1 THR A 60 1.826 -5.570 -2.340 1.00 0.00 O ATOM 961 CG2 THR A 60 2.174 -3.433 -3.296 1.00 0.00 C ATOM 0 H THR A 60 4.224 -3.910 -5.283 1.00 0.00 H new ATOM 0 HA THR A 60 3.666 -6.490 -3.962 1.00 0.00 H new ATOM 0 HB THR A 60 3.673 -4.619 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.254 -6.093 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.819 -2.983 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.916 -2.780 -3.755 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.335 -3.566 -3.979 1.00 0.00 H new ATOM 969 N TRP A 61 1.112 -6.237 -4.865 1.00 0.00 N ATOM 970 CA TRP A 61 -0.015 -6.445 -5.776 1.00 0.00 C ATOM 971 C TRP A 61 -1.340 -5.958 -5.199 1.00 0.00 C ATOM 972 O TRP A 61 -1.772 -6.398 -4.139 1.00 0.00 O ATOM 973 CB TRP A 61 -0.133 -7.919 -6.150 1.00 0.00 C ATOM 974 CG TRP A 61 -0.201 -8.836 -4.970 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.313 -9.456 -4.475 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.890 -9.238 -4.136 1.00 0.00 C ATOM 977 NE1 TRP A 61 -0.975 -10.233 -3.393 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.371 -10.110 -3.161 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.256 -8.948 -4.123 1.00 0.00 C ATOM 980 CZ2 TRP A 61 1.172 -10.694 -2.184 1.00 0.00 C ATOM 981 CZ3 TRP A 61 3.050 -9.526 -3.152 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.507 -10.391 -2.193 1.00 0.00 C ATOM 0 H TRP A 61 0.964 -6.585 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 61 0.193 -5.850 -6.666 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.025 -8.060 -6.760 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.722 -8.198 -6.767 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.311 -9.351 -4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.620 -10.808 -2.851 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.684 -8.284 -4.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.755 -11.362 -1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.107 -9.307 -3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.154 -10.827 -1.446 1.00 0.00 H new ATOM 993 N MET A 62 -1.953 -5.021 -5.919 1.00 0.00 N ATOM 994 CA MET A 62 -3.232 -4.413 -5.527 1.00 0.00 C ATOM 995 C MET A 62 -4.129 -5.386 -4.753 1.00 0.00 C ATOM 996 O MET A 62 -4.857 -4.984 -3.848 1.00 0.00 O ATOM 997 CB MET A 62 -3.976 -3.918 -6.771 1.00 0.00 C ATOM 998 CG MET A 62 -3.565 -2.524 -7.213 1.00 0.00 C ATOM 999 SD MET A 62 -3.888 -1.273 -5.956 1.00 0.00 S ATOM 1000 CE MET A 62 -2.363 -0.336 -6.014 1.00 0.00 C ATOM 0 H MET A 62 -1.579 -4.657 -6.795 1.00 0.00 H new ATOM 0 HA MET A 62 -3.001 -3.578 -4.866 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.801 -4.616 -7.590 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.047 -3.925 -6.570 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.503 -2.523 -7.456 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.101 -2.264 -8.125 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.827 -0.454 -5.072 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.743 -0.701 -6.833 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.590 0.718 -6.173 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.071 -6.669 -5.112 1.00 0.00 N ATOM 1011 CA ASP A 63 -4.878 -7.691 -4.445 1.00 0.00 C ATOM 1012 C ASP A 63 -4.171 -8.255 -3.209 1.00 0.00 C ATOM 1013 O ASP A 63 -4.365 -9.418 -2.855 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.194 -8.826 -5.422 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.475 -9.555 -5.068 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -6.541 -10.138 -3.967 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.414 -9.541 -5.894 1.00 0.00 O ATOM 0 H ASP A 63 -3.475 -7.025 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.804 -7.219 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.277 -8.421 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.366 -9.535 -5.430 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.345 -7.434 -2.563 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.610 -7.859 -1.377 1.00 0.00 C ATOM 1024 C ALA A 64 -3.357 -7.507 -0.098 1.00 0.00 C ATOM 1025 O ALA A 64 -4.076 -6.509 -0.041 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.228 -7.220 -1.360 1.00 0.00 C ATOM 0 H ALA A 64 -3.169 -6.469 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.510 -8.944 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.688 -7.544 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.676 -7.523 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.329 -6.135 -1.348 1.00 0.00 H new ATOM 1032 N THR A 65 -3.167 -8.321 0.936 1.00 0.00 N ATOM 1033 CA THR A 65 -3.808 -8.079 2.221 1.00 0.00 C ATOM 1034 C THR A 65 -3.045 -6.997 2.982 1.00 0.00 C ATOM 1035 O THR A 65 -1.848 -6.818 2.758 1.00 0.00 O ATOM 1036 CB THR A 65 -3.875 -9.367 3.045 1.00 0.00 C ATOM 1037 OG1 THR A 65 -2.931 -10.313 2.576 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.239 -10.023 3.013 1.00 0.00 C ATOM 0 H THR A 65 -2.576 -9.152 0.908 1.00 0.00 H new ATOM 0 HA THR A 65 -4.828 -7.738 2.045 1.00 0.00 H new ATOM 0 HB THR A 65 -3.656 -9.068 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.989 -11.128 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.220 -10.931 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.983 -9.335 3.415 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.497 -10.276 1.985 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.723 -6.296 3.899 1.00 0.00 N ATOM 1047 CA LEU A 66 -3.078 -5.251 4.677 1.00 0.00 C ATOM 1048 C LEU A 66 -1.763 -5.746 5.268 1.00 0.00 C ATOM 1049 O LEU A 66 -0.818 -4.975 5.439 1.00 0.00 O ATOM 1050 CB LEU A 66 -4.010 -4.769 5.790 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.689 -3.425 5.521 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -5.628 -3.062 6.660 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -3.645 -2.335 5.317 1.00 0.00 C ATOM 0 H LEU A 66 -4.710 -6.438 4.114 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.860 -4.416 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.780 -5.523 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.439 -4.693 6.715 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.279 -3.512 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.101 -2.103 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.394 -3.831 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.063 -2.992 7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.144 -1.385 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.029 -2.249 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.014 -2.590 4.466 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.713 -7.035 5.579 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.518 -7.635 6.151 1.00 0.00 C ATOM 1067 C LYS A 67 0.656 -7.505 5.184 1.00 0.00 C ATOM 1068 O LYS A 67 1.739 -7.046 5.561 1.00 0.00 O ATOM 1069 CB LYS A 67 -0.758 -9.108 6.479 1.00 0.00 C ATOM 1070 CG LYS A 67 0.010 -9.592 7.697 1.00 0.00 C ATOM 1071 CD LYS A 67 -0.502 -10.940 8.179 1.00 0.00 C ATOM 1072 CE LYS A 67 0.493 -12.053 7.889 1.00 0.00 C ATOM 1073 NZ LYS A 67 0.216 -12.720 6.587 1.00 0.00 N ATOM 0 H LYS A 67 -2.488 -7.684 5.444 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.280 -7.105 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.824 -9.266 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.477 -9.714 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.069 -9.670 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.079 -8.860 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.696 -10.894 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.451 -11.164 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.503 -11.644 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.456 -12.791 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.916 -13.472 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.738 -13.133 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.277 -12.021 5.819 1.00 0.00 H new ATOM 1087 N GLU A 68 0.455 -7.910 3.914 1.00 0.00 N ATOM 1088 CA GLU A 68 1.505 -7.827 2.923 1.00 0.00 C ATOM 1089 C GLU A 68 2.092 -6.427 2.843 1.00 0.00 C ATOM 1090 O GLU A 68 3.305 -6.264 2.701 1.00 0.00 O ATOM 1091 CB GLU A 68 0.941 -8.229 1.560 1.00 0.00 C ATOM 1092 CG GLU A 68 1.928 -9.001 0.698 1.00 0.00 C ATOM 1093 CD GLU A 68 3.020 -8.119 0.128 1.00 0.00 C ATOM 1094 OE1 GLU A 68 2.828 -7.574 -0.981 1.00 0.00 O ATOM 1095 OE2 GLU A 68 4.068 -7.971 0.789 1.00 0.00 O ATOM 0 H GLU A 68 -0.425 -8.293 3.568 1.00 0.00 H new ATOM 0 HA GLU A 68 2.306 -8.506 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.049 -8.837 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.629 -7.332 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.381 -9.794 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.391 -9.482 -0.120 1.00 0.00 H new ATOM 1102 N LEU A 69 1.232 -5.421 2.927 1.00 0.00 N ATOM 1103 CA LEU A 69 1.682 -4.039 2.862 1.00 0.00 C ATOM 1104 C LEU A 69 2.483 -3.683 4.116 1.00 0.00 C ATOM 1105 O LEU A 69 3.343 -2.802 4.085 1.00 0.00 O ATOM 1106 CB LEU A 69 0.493 -3.084 2.691 1.00 0.00 C ATOM 1107 CG LEU A 69 -0.443 -3.390 1.510 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.318 -3.985 0.333 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.559 -4.321 1.947 1.00 0.00 C ATOM 0 H LEU A 69 0.225 -5.536 3.040 1.00 0.00 H new ATOM 0 HA LEU A 69 2.330 -3.929 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.094 -3.096 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.878 -2.071 2.573 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.880 -2.448 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.375 -4.189 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.077 -3.279 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.797 -4.914 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.213 -4.528 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.132 -5.255 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.135 -3.850 2.743 1.00 0.00 H new ATOM 1121 N THR A 70 2.210 -4.389 5.213 1.00 0.00 N ATOM 1122 CA THR A 70 2.920 -4.164 6.470 1.00 0.00 C ATOM 1123 C THR A 70 4.390 -4.541 6.310 1.00 0.00 C ATOM 1124 O THR A 70 5.277 -3.902 6.882 1.00 0.00 O ATOM 1125 CB THR A 70 2.298 -4.995 7.589 1.00 0.00 C ATOM 1126 OG1 THR A 70 0.919 -4.707 7.722 1.00 0.00 O ATOM 1127 CG2 THR A 70 2.949 -4.761 8.934 1.00 0.00 C ATOM 0 H THR A 70 1.502 -5.122 5.256 1.00 0.00 H new ATOM 0 HA THR A 70 2.842 -3.108 6.729 1.00 0.00 H new ATOM 0 HB THR A 70 2.455 -6.034 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.804 -3.768 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.462 -5.381 9.687 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.006 -5.023 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.849 -3.711 9.209 1.00 0.00 H new ATOM 1135 N SER A 71 4.651 -5.550 5.472 1.00 0.00 N ATOM 1136 CA SER A 71 6.013 -5.982 5.208 1.00 0.00 C ATOM 1137 C SER A 71 6.690 -5.037 4.223 1.00 0.00 C ATOM 1138 O SER A 71 7.862 -4.699 4.376 1.00 0.00 O ATOM 1139 CB SER A 71 6.016 -7.411 4.657 1.00 0.00 C ATOM 1140 OG SER A 71 5.670 -8.347 5.663 1.00 0.00 O ATOM 0 H SER A 71 3.935 -6.076 4.971 1.00 0.00 H new ATOM 0 HA SER A 71 6.571 -5.964 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.312 -7.486 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.003 -7.648 4.259 1.00 0.00 H new ATOM 0 HG SER A 71 5.678 -9.251 5.285 1.00 0.00 H new ATOM 1146 N LEU A 72 5.935 -4.606 3.211 1.00 0.00 N ATOM 1147 CA LEU A 72 6.450 -3.685 2.197 1.00 0.00 C ATOM 1148 C LEU A 72 7.184 -2.522 2.858 1.00 0.00 C ATOM 1149 O LEU A 72 8.354 -2.264 2.561 1.00 0.00 O ATOM 1150 CB LEU A 72 5.302 -3.139 1.353 1.00 0.00 C ATOM 1151 CG LEU A 72 4.559 -4.175 0.514 1.00 0.00 C ATOM 1152 CD1 LEU A 72 3.396 -3.524 -0.213 1.00 0.00 C ATOM 1153 CD2 LEU A 72 5.502 -4.842 -0.475 1.00 0.00 C ATOM 0 H LEU A 72 4.963 -4.881 3.072 1.00 0.00 H new ATOM 0 HA LEU A 72 7.144 -4.232 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.587 -2.651 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.696 -2.371 0.687 1.00 0.00 H new ATOM 0 HG LEU A 72 4.167 -4.944 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.874 -4.273 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.707 -3.094 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.771 -2.737 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.952 -5.577 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.925 -4.088 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.306 -5.339 0.068 1.00 0.00 H new ATOM 1165 N VAL A 73 6.508 -1.853 3.795 1.00 0.00 N ATOM 1166 CA VAL A 73 7.106 -0.748 4.512 1.00 0.00 C ATOM 1167 C VAL A 73 8.312 -1.226 5.298 1.00 0.00 C ATOM 1168 O VAL A 73 9.333 -0.548 5.353 1.00 0.00 O ATOM 1169 CB VAL A 73 6.093 -0.091 5.466 1.00 0.00 C ATOM 1170 CG1 VAL A 73 6.687 1.155 6.102 1.00 0.00 C ATOM 1171 CG2 VAL A 73 4.802 0.240 4.732 1.00 0.00 C ATOM 0 H VAL A 73 5.548 -2.064 4.067 1.00 0.00 H new ATOM 0 HA VAL A 73 7.421 -0.005 3.780 1.00 0.00 H new ATOM 0 HB VAL A 73 5.860 -0.800 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.955 1.605 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.579 0.885 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.953 1.870 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.099 0.704 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.015 0.929 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.366 -0.675 4.331 1.00 0.00 H new ATOM 1181 N LYS A 74 8.180 -2.385 5.935 1.00 0.00 N ATOM 1182 CA LYS A 74 9.263 -2.943 6.740 1.00 0.00 C ATOM 1183 C LYS A 74 10.545 -3.072 5.929 1.00 0.00 C ATOM 1184 O LYS A 74 11.626 -2.715 6.396 1.00 0.00 O ATOM 1185 CB LYS A 74 8.858 -4.312 7.295 1.00 0.00 C ATOM 1186 CG LYS A 74 8.116 -4.244 8.622 1.00 0.00 C ATOM 1187 CD LYS A 74 7.303 -2.964 8.745 1.00 0.00 C ATOM 1188 CE LYS A 74 6.139 -3.134 9.704 1.00 0.00 C ATOM 1189 NZ LYS A 74 6.590 -3.592 11.047 1.00 0.00 N ATOM 0 H LYS A 74 7.335 -2.956 5.910 1.00 0.00 H new ATOM 0 HA LYS A 74 9.451 -2.259 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.228 -4.818 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.753 -4.921 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.455 -5.106 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.831 -4.302 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.946 -2.155 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.928 -2.674 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.608 -2.187 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.432 -3.855 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.886 -3.317 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.694 -4.627 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.505 -3.153 11.275 1.00 0.00 H new ATOM 1203 N GLU A 75 10.418 -3.584 4.713 1.00 0.00 N ATOM 1204 CA GLU A 75 11.570 -3.759 3.839 1.00 0.00 C ATOM 1205 C GLU A 75 12.189 -2.414 3.467 1.00 0.00 C ATOM 1206 O GLU A 75 13.381 -2.334 3.170 1.00 0.00 O ATOM 1207 CB GLU A 75 11.169 -4.525 2.575 1.00 0.00 C ATOM 1208 CG GLU A 75 11.820 -5.894 2.467 1.00 0.00 C ATOM 1209 CD GLU A 75 11.442 -6.622 1.191 1.00 0.00 C ATOM 1210 OE1 GLU A 75 11.936 -6.225 0.115 1.00 0.00 O ATOM 1211 OE2 GLU A 75 10.654 -7.586 1.268 1.00 0.00 O ATOM 0 H GLU A 75 9.531 -3.885 4.310 1.00 0.00 H new ATOM 0 HA GLU A 75 12.318 -4.338 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.086 -4.644 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.437 -3.933 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.903 -5.781 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.529 -6.499 3.326 1.00 0.00 H new ATOM 1218 N VAL A 76 11.377 -1.359 3.473 1.00 0.00 N ATOM 1219 CA VAL A 76 11.872 -0.026 3.120 1.00 0.00 C ATOM 1220 C VAL A 76 11.984 0.883 4.344 1.00 0.00 C ATOM 1221 O VAL A 76 12.253 2.077 4.213 1.00 0.00 O ATOM 1222 CB VAL A 76 10.978 0.672 2.069 1.00 0.00 C ATOM 1223 CG1 VAL A 76 11.831 1.464 1.091 1.00 0.00 C ATOM 1224 CG2 VAL A 76 10.106 -0.332 1.327 1.00 0.00 C ATOM 0 H VAL A 76 10.387 -1.397 3.714 1.00 0.00 H new ATOM 0 HA VAL A 76 12.863 -0.186 2.695 1.00 0.00 H new ATOM 0 HB VAL A 76 10.317 1.360 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.187 1.950 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.399 2.220 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.519 0.791 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.490 0.191 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.740 -1.056 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.463 -0.851 2.038 1.00 0.00 H new ATOM 1234 N TYR A 77 11.766 0.323 5.529 1.00 0.00 N ATOM 1235 CA TYR A 77 11.835 1.098 6.762 1.00 0.00 C ATOM 1236 C TYR A 77 12.282 0.223 7.932 1.00 0.00 C ATOM 1237 O TYR A 77 11.544 -0.660 8.371 1.00 0.00 O ATOM 1238 CB TYR A 77 10.472 1.724 7.061 1.00 0.00 C ATOM 1239 CG TYR A 77 10.556 3.105 7.670 1.00 0.00 C ATOM 1240 CD1 TYR A 77 11.361 3.351 8.776 1.00 0.00 C ATOM 1241 CD2 TYR A 77 9.830 4.163 7.140 1.00 0.00 C ATOM 1242 CE1 TYR A 77 11.439 4.612 9.335 1.00 0.00 C ATOM 1243 CE2 TYR A 77 9.904 5.428 7.692 1.00 0.00 C ATOM 1244 CZ TYR A 77 10.710 5.647 8.789 1.00 0.00 C ATOM 1245 OH TYR A 77 10.785 6.904 9.343 1.00 0.00 O ATOM 0 H TYR A 77 11.540 -0.663 5.662 1.00 0.00 H new ATOM 0 HA TYR A 77 12.572 1.891 6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.897 1.779 6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.923 1.071 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 77 11.935 2.543 9.205 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.197 3.995 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.068 4.786 10.196 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.334 6.240 7.266 1.00 0.00 H new ATOM 0 HH TYR A 77 11.071 6.833 10.278 1.00 0.00 H new ATOM 1255 N PRO A 78 13.501 0.450 8.453 1.00 0.00 N ATOM 1256 CA PRO A 78 14.039 -0.329 9.571 1.00 0.00 C ATOM 1257 C PRO A 78 13.305 -0.057 10.881 1.00 0.00 C ATOM 1258 O PRO A 78 12.997 -0.980 11.635 1.00 0.00 O ATOM 1259 CB PRO A 78 15.502 0.132 9.676 1.00 0.00 C ATOM 1260 CG PRO A 78 15.774 0.911 8.433 1.00 0.00 C ATOM 1261 CD PRO A 78 14.454 1.471 7.994 1.00 0.00 C ATOM 0 HA PRO A 78 13.929 -1.400 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.656 0.746 10.563 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.176 -0.721 9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.492 1.709 8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.203 0.274 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.256 2.443 8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.411 1.608 6.913 1.00 0.00 H new ATOM 1269 N GLU A 79 13.038 1.216 11.153 1.00 0.00 N ATOM 1270 CA GLU A 79 12.351 1.613 12.377 1.00 0.00 C ATOM 1271 C GLU A 79 10.950 1.009 12.459 1.00 0.00 C ATOM 1272 O GLU A 79 10.361 0.935 13.538 1.00 0.00 O ATOM 1273 CB GLU A 79 12.263 3.138 12.464 1.00 0.00 C ATOM 1274 CG GLU A 79 12.388 3.675 13.879 1.00 0.00 C ATOM 1275 CD GLU A 79 13.827 3.942 14.276 1.00 0.00 C ATOM 1276 OE1 GLU A 79 14.408 4.929 13.776 1.00 0.00 O ATOM 1277 OE2 GLU A 79 14.373 3.165 15.088 1.00 0.00 O ATOM 0 H GLU A 79 13.288 1.992 10.541 1.00 0.00 H new ATOM 0 HA GLU A 79 12.932 1.233 13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.049 3.575 11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.311 3.463 12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.814 4.597 13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.950 2.960 14.575 1.00 0.00 H new ATOM 1284 N ALA A 80 10.414 0.583 11.318 1.00 0.00 N ATOM 1285 CA ALA A 80 9.078 -0.004 11.275 1.00 0.00 C ATOM 1286 C ALA A 80 9.099 -1.462 11.721 1.00 0.00 C ATOM 1287 O ALA A 80 8.141 -1.952 12.318 1.00 0.00 O ATOM 1288 CB ALA A 80 8.495 0.115 9.875 1.00 0.00 C ATOM 0 H ALA A 80 10.883 0.633 10.414 1.00 0.00 H new ATOM 0 HA ALA A 80 8.445 0.548 11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.499 -0.327 9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.431 1.167 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.137 -0.410 9.168 1.00 0.00 H new ATOM 1294 N ARG A 81 10.187 -2.159 11.410 1.00 0.00 N ATOM 1295 CA ARG A 81 10.327 -3.569 11.767 1.00 0.00 C ATOM 1296 C ARG A 81 10.220 -3.789 13.274 1.00 0.00 C ATOM 1297 O ARG A 81 10.035 -4.917 13.730 1.00 0.00 O ATOM 1298 CB ARG A 81 11.662 -4.113 11.254 1.00 0.00 C ATOM 1299 CG ARG A 81 11.626 -4.533 9.793 1.00 0.00 C ATOM 1300 CD ARG A 81 12.696 -5.566 9.481 1.00 0.00 C ATOM 1301 NE ARG A 81 12.771 -5.855 8.050 1.00 0.00 N ATOM 1302 CZ ARG A 81 12.964 -7.072 7.541 1.00 0.00 C ATOM 1303 NH1 ARG A 81 13.123 -8.122 8.338 1.00 0.00 N ATOM 1304 NH2 ARG A 81 13.004 -7.238 6.225 1.00 0.00 N ATOM 0 H ARG A 81 10.987 -1.771 10.910 1.00 0.00 H new ATOM 0 HA ARG A 81 9.507 -4.109 11.294 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.430 -3.351 11.386 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.954 -4.969 11.863 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.644 -4.942 9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.768 -3.658 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.663 -5.204 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.484 -6.485 10.027 1.00 0.00 H new ATOM 0 HE ARG A 81 12.669 -5.076 7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.098 -8.002 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.270 -9.049 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.887 -6.436 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.152 -8.168 5.833 1.00 0.00 H new ATOM 1318 N LYS A 82 10.339 -2.714 14.051 1.00 0.00 N ATOM 1319 CA LYS A 82 10.255 -2.813 15.504 1.00 0.00 C ATOM 1320 C LYS A 82 8.898 -3.359 15.935 1.00 0.00 C ATOM 1321 O LYS A 82 7.865 -2.994 15.376 1.00 0.00 O ATOM 1322 CB LYS A 82 10.496 -1.446 16.145 1.00 0.00 C ATOM 1323 CG LYS A 82 11.969 -1.104 16.316 1.00 0.00 C ATOM 1324 CD LYS A 82 12.302 -0.754 17.759 1.00 0.00 C ATOM 1325 CE LYS A 82 13.086 -1.865 18.442 1.00 0.00 C ATOM 1326 NZ LYS A 82 14.357 -1.367 19.036 1.00 0.00 N ATOM 0 H LYS A 82 10.493 -1.769 13.699 1.00 0.00 H new ATOM 0 HA LYS A 82 11.027 -3.504 15.841 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.022 -0.679 15.533 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.010 -1.421 17.120 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.578 -1.950 15.997 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.225 -0.265 15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.881 0.169 17.785 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.380 -0.567 18.310 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.473 -2.314 19.223 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.307 -2.650 17.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.860 -2.155 19.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.954 -0.961 18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.146 -0.636 19.745 1.00 0.00 H new ATOM 1340 N LYS A 83 8.909 -4.239 16.931 1.00 0.00 N ATOM 1341 CA LYS A 83 7.680 -4.837 17.436 1.00 0.00 C ATOM 1342 C LYS A 83 6.848 -3.812 18.199 1.00 0.00 C ATOM 1343 O LYS A 83 7.387 -2.987 18.938 1.00 0.00 O ATOM 1344 CB LYS A 83 8.001 -6.028 18.341 1.00 0.00 C ATOM 1345 CG LYS A 83 8.076 -7.353 17.600 1.00 0.00 C ATOM 1346 CD LYS A 83 9.445 -7.561 16.972 1.00 0.00 C ATOM 1347 CE LYS A 83 10.384 -8.304 17.910 1.00 0.00 C ATOM 1348 NZ LYS A 83 10.551 -9.732 17.517 1.00 0.00 N ATOM 0 H LYS A 83 9.756 -4.553 17.404 1.00 0.00 H new ATOM 0 HA LYS A 83 7.099 -5.185 16.582 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.952 -5.847 18.842 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.240 -6.099 19.118 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.863 -8.170 18.290 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.310 -7.382 16.825 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.339 -8.122 16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.878 -6.595 16.713 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.357 -7.813 17.913 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.997 -8.251 18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.198 -10.202 18.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.627 -10.208 17.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.945 -9.784 16.556 1.00 0.00 H new ATOM 1362 N GLY A 84 5.533 -3.871 18.017 1.00 0.00 N ATOM 1363 CA GLY A 84 4.648 -2.943 18.695 1.00 0.00 C ATOM 1364 C GLY A 84 4.434 -1.658 17.914 1.00 0.00 C ATOM 1365 O GLY A 84 3.850 -0.704 18.427 1.00 0.00 O ATOM 0 H GLY A 84 5.065 -4.545 17.412 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.685 -3.424 18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.062 -2.703 19.675 1.00 0.00 H new ATOM 1369 N THR A 85 4.909 -1.629 16.671 1.00 0.00 N ATOM 1370 CA THR A 85 4.766 -0.448 15.828 1.00 0.00 C ATOM 1371 C THR A 85 3.394 -0.413 15.159 1.00 0.00 C ATOM 1372 O THR A 85 3.088 -1.241 14.302 1.00 0.00 O ATOM 1373 CB THR A 85 5.864 -0.423 14.765 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.137 -0.617 15.357 1.00 0.00 O ATOM 1375 CG2 THR A 85 5.913 0.873 13.989 1.00 0.00 C ATOM 0 H THR A 85 5.395 -2.408 16.227 1.00 0.00 H new ATOM 0 HA THR A 85 4.860 0.433 16.463 1.00 0.00 H new ATOM 0 HB THR A 85 5.620 -1.232 14.076 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.521 -1.461 15.039 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.714 0.825 13.251 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.961 1.030 13.482 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.100 1.700 14.674 1.00 0.00 H new ATOM 1383 N HIS A 86 2.575 0.555 15.556 1.00 0.00 N ATOM 1384 CA HIS A 86 1.236 0.708 14.996 1.00 0.00 C ATOM 1385 C HIS A 86 1.244 1.704 13.842 1.00 0.00 C ATOM 1386 O HIS A 86 1.499 2.893 14.038 1.00 0.00 O ATOM 1387 CB HIS A 86 0.261 1.178 16.079 1.00 0.00 C ATOM 1388 CG HIS A 86 -1.178 0.972 15.722 1.00 0.00 C ATOM 1389 ND1 HIS A 86 -1.943 -0.144 15.738 1.00 0.00 N flip ATOM 1390 CD2 HIS A 86 -2.000 1.991 15.287 1.00 0.00 C flip ATOM 1391 CE1 HIS A 86 -3.199 0.216 15.317 1.00 0.00 C flip ATOM 1392 NE2 HIS A 86 -3.208 1.508 15.052 1.00 0.00 N flip ATOM 0 H HIS A 86 2.815 1.247 16.265 1.00 0.00 H new ATOM 0 HA HIS A 86 0.912 -0.261 14.618 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.476 0.646 17.005 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.430 2.237 16.273 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.642 -1.079 16.012 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.703 3.021 15.159 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.043 -0.451 15.219 1.00 0.00 H new ATOM 1400 N PHE A 87 0.969 1.216 12.636 1.00 0.00 N ATOM 1401 CA PHE A 87 0.953 2.072 11.454 1.00 0.00 C ATOM 1402 C PHE A 87 -0.427 2.102 10.809 1.00 0.00 C ATOM 1403 O PHE A 87 -1.069 1.065 10.640 1.00 0.00 O ATOM 1404 CB PHE A 87 1.996 1.610 10.427 1.00 0.00 C ATOM 1405 CG PHE A 87 2.542 0.237 10.688 1.00 0.00 C ATOM 1406 CD1 PHE A 87 1.826 -0.890 10.321 1.00 0.00 C ATOM 1407 CD2 PHE A 87 3.773 0.073 11.301 1.00 0.00 C ATOM 1408 CE1 PHE A 87 2.328 -2.154 10.559 1.00 0.00 C ATOM 1409 CE2 PHE A 87 4.280 -1.187 11.542 1.00 0.00 C ATOM 1410 CZ PHE A 87 3.557 -2.303 11.169 1.00 0.00 C ATOM 0 H PHE A 87 0.755 0.236 12.452 1.00 0.00 H new ATOM 0 HA PHE A 87 1.203 3.081 11.782 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.546 1.629 9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.821 2.322 10.417 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.864 -0.779 9.843 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.343 0.942 11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.760 -3.025 10.268 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.241 -1.301 12.022 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.953 -3.291 11.354 1.00 0.00 H new ATOM 1420 N ASN A 88 -0.874 3.302 10.445 1.00 0.00 N ATOM 1421 CA ASN A 88 -2.176 3.474 9.813 1.00 0.00 C ATOM 1422 C ASN A 88 -2.029 3.680 8.310 1.00 0.00 C ATOM 1423 O ASN A 88 -1.070 4.298 7.846 1.00 0.00 O ATOM 1424 CB ASN A 88 -2.914 4.662 10.433 1.00 0.00 C ATOM 1425 CG ASN A 88 -3.400 4.372 11.840 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -2.602 4.182 12.757 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -4.715 4.333 12.016 1.00 0.00 N ATOM 0 H ASN A 88 -0.352 4.168 10.578 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.756 2.567 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.252 5.528 10.452 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.765 4.925 9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.100 4.139 12.940 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.340 4.497 11.227 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.986 3.155 7.553 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.967 3.277 6.101 1.00 0.00 C ATOM 1436 C PHE A 89 -4.043 4.241 5.619 1.00 0.00 C ATOM 1437 O PHE A 89 -5.209 4.143 6.020 1.00 0.00 O ATOM 1438 CB PHE A 89 -3.161 1.911 5.444 1.00 0.00 C ATOM 1439 CG PHE A 89 -2.124 0.903 5.840 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -2.310 0.112 6.958 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -0.964 0.749 5.098 1.00 0.00 C ATOM 1442 CE1 PHE A 89 -1.365 -0.815 7.333 1.00 0.00 C ATOM 1443 CE2 PHE A 89 -0.009 -0.179 5.469 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.209 -0.963 6.589 1.00 0.00 C ATOM 0 H PHE A 89 -3.786 2.640 7.922 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.993 3.673 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.147 1.528 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.143 2.032 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.209 0.223 7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.804 1.360 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.526 -1.427 8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.892 -0.291 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.535 -1.689 6.882 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.631 5.164 4.756 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.530 6.161 4.197 1.00 0.00 C ATOM 1456 C ALA A 90 -4.148 6.499 2.763 1.00 0.00 C ATOM 1457 O ALA A 90 -2.996 6.337 2.366 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.508 7.419 5.055 1.00 0.00 C ATOM 0 H ALA A 90 -2.668 5.240 4.427 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.538 5.747 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.184 8.161 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.828 7.174 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.496 7.823 5.082 1.00 0.00 H new ATOM 1464 N ILE A 91 -5.118 6.979 1.997 1.00 0.00 N ATOM 1465 CA ILE A 91 -4.875 7.353 0.611 1.00 0.00 C ATOM 1466 C ILE A 91 -4.793 8.867 0.475 1.00 0.00 C ATOM 1467 O ILE A 91 -5.792 9.567 0.648 1.00 0.00 O ATOM 1468 CB ILE A 91 -5.980 6.824 -0.323 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -6.218 5.332 -0.083 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -5.614 7.082 -1.779 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -7.676 4.936 -0.138 1.00 0.00 C ATOM 0 H ILE A 91 -6.078 7.118 2.311 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.927 6.903 0.318 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.904 7.357 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.666 4.760 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.813 5.060 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.405 6.702 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.496 8.154 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.678 6.575 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.769 3.865 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.230 5.481 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.081 5.176 -1.121 1.00 0.00 H new ATOM 1483 N VAL A 92 -3.594 9.363 0.178 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.369 10.797 0.024 1.00 0.00 C ATOM 1485 C VAL A 92 -2.503 11.080 -1.204 1.00 0.00 C ATOM 1486 O VAL A 92 -1.503 10.401 -1.434 1.00 0.00 O ATOM 1487 CB VAL A 92 -2.711 11.413 1.291 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -3.011 10.566 2.521 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -1.207 11.585 1.115 1.00 0.00 C ATOM 0 H VAL A 92 -2.761 8.790 0.039 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.344 11.265 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.144 12.403 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.541 11.015 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.089 10.516 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.618 9.560 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.782 12.018 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.749 10.614 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.013 12.247 0.271 1.00 0.00 H new ATOM 1673 N VAL A 103 -8.279 12.645 1.083 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.241 12.025 1.898 1.00 0.00 C ATOM 1675 C VAL A 103 -7.838 11.468 3.186 1.00 0.00 C ATOM 1676 O VAL A 103 -8.330 12.219 4.030 1.00 0.00 O ATOM 1677 CB VAL A 103 -6.103 13.021 2.226 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -6.668 14.395 2.559 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -5.225 12.508 3.363 1.00 0.00 C ATOM 0 HA VAL A 103 -6.813 11.207 1.319 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.477 13.112 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.851 15.079 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.231 14.773 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.327 14.318 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.436 13.231 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.832 12.370 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.779 11.556 3.077 1.00 0.00 H new ATOM 1689 N LYS A 104 -7.800 10.146 3.330 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.351 9.497 4.520 1.00 0.00 C ATOM 1691 C LYS A 104 -7.753 8.109 4.730 1.00 0.00 C ATOM 1692 O LYS A 104 -7.175 7.526 3.812 1.00 0.00 O ATOM 1693 CB LYS A 104 -9.875 9.394 4.405 1.00 0.00 C ATOM 1694 CG LYS A 104 -10.609 9.777 5.680 1.00 0.00 C ATOM 1695 CD LYS A 104 -12.115 9.787 5.474 1.00 0.00 C ATOM 1696 CE LYS A 104 -12.855 10.106 6.764 1.00 0.00 C ATOM 1697 NZ LYS A 104 -13.676 11.341 6.640 1.00 0.00 N ATOM 0 H LYS A 104 -7.398 9.506 2.645 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.091 10.110 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.214 10.038 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.142 8.372 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.354 9.074 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.279 10.762 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.374 10.524 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.438 8.816 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.498 9.267 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.136 10.227 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.165 11.525 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.059 12.146 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.379 11.216 5.883 1.00 0.00 H new ATOM 1711 N GLU A 105 -7.894 7.585 5.949 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.367 6.265 6.279 1.00 0.00 C ATOM 1713 C GLU A 105 -8.426 5.185 6.093 1.00 0.00 C ATOM 1714 O GLU A 105 -9.623 5.451 6.190 1.00 0.00 O ATOM 1715 CB GLU A 105 -6.837 6.234 7.716 1.00 0.00 C ATOM 1716 CG GLU A 105 -5.737 7.249 7.983 1.00 0.00 C ATOM 1717 CD GLU A 105 -5.731 7.734 9.419 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -6.463 8.699 9.724 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -4.995 7.149 10.240 1.00 0.00 O ATOM 0 H GLU A 105 -8.368 8.055 6.720 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.543 6.061 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.663 6.418 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.458 5.235 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.770 6.802 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.864 8.101 7.316 1.00 0.00 H new ATOM 1726 N ILE A 106 -7.972 3.966 5.818 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.878 2.842 5.609 1.00 0.00 C ATOM 1728 C ILE A 106 -8.607 1.703 6.592 1.00 0.00 C ATOM 1729 O ILE A 106 -9.454 0.829 6.784 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.789 2.294 4.166 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.375 2.465 3.596 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.810 2.988 3.273 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -6.368 1.486 4.159 1.00 0.00 C ATOM 0 H ILE A 106 -6.983 3.732 5.735 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.883 3.228 5.782 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.014 1.228 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.413 2.350 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.033 3.480 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.736 2.592 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.813 2.809 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.612 4.060 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.392 1.668 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.299 1.615 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.686 0.468 3.935 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.429 1.708 7.213 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.095 0.657 8.166 1.00 0.00 C ATOM 1747 C GLY A 107 -5.643 0.713 8.599 1.00 0.00 C ATOM 1748 O GLY A 107 -4.817 1.266 7.885 1.00 0.00 O ATOM 0 H GLY A 107 -6.705 2.413 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.737 0.747 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.301 -0.315 7.718 1.00 0.00 H new ATOM 1752 N SER A 108 -5.341 0.160 9.774 1.00 0.00 N ATOM 1753 CA SER A 108 -3.981 0.169 10.297 1.00 0.00 C ATOM 1754 C SER A 108 -3.519 -1.228 10.703 1.00 0.00 C ATOM 1755 O SER A 108 -4.293 -2.017 11.246 1.00 0.00 O ATOM 1756 CB SER A 108 -3.903 1.106 11.503 1.00 0.00 C ATOM 1757 OG SER A 108 -4.739 0.653 12.552 1.00 0.00 O ATOM 0 H SER A 108 -6.022 -0.299 10.379 1.00 0.00 H new ATOM 0 HA SER A 108 -3.321 0.521 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.873 1.167 11.855 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.199 2.112 11.206 1.00 0.00 H new ATOM 0 HG SER A 108 -5.055 1.420 13.073 1.00 0.00 H new ATOM 1763 N THR A 109 -2.249 -1.524 10.438 1.00 0.00 N ATOM 1764 CA THR A 109 -1.671 -2.820 10.783 1.00 0.00 C ATOM 1765 C THR A 109 -0.627 -2.659 11.884 1.00 0.00 C ATOM 1766 O THR A 109 -0.524 -1.597 12.497 1.00 0.00 O ATOM 1767 CB THR A 109 -1.045 -3.485 9.552 1.00 0.00 C ATOM 1768 OG1 THR A 109 -0.005 -2.684 9.019 1.00 0.00 O ATOM 1769 CG2 THR A 109 -2.041 -3.744 8.443 1.00 0.00 C ATOM 0 H THR A 109 -1.599 -0.882 9.984 1.00 0.00 H new ATOM 0 HA THR A 109 -2.472 -3.463 11.148 1.00 0.00 H new ATOM 0 HB THR A 109 -0.661 -4.442 9.906 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.264 -2.359 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.534 -4.216 7.601 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.829 -4.403 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.479 -2.800 8.120 1.00 0.00 H new ATOM 1777 N MET A 110 0.139 -3.714 12.138 1.00 0.00 N ATOM 1778 CA MET A 110 1.163 -3.673 13.175 1.00 0.00 C ATOM 1779 C MET A 110 2.375 -4.517 12.794 1.00 0.00 C ATOM 1780 O MET A 110 2.316 -5.326 11.870 1.00 0.00 O ATOM 1781 CB MET A 110 0.593 -4.168 14.503 1.00 0.00 C ATOM 1782 CG MET A 110 -0.390 -3.206 15.149 1.00 0.00 C ATOM 1783 SD MET A 110 -0.165 -3.094 16.934 1.00 0.00 S ATOM 1784 CE MET A 110 1.551 -2.591 17.015 1.00 0.00 C ATOM 0 H MET A 110 0.071 -4.603 11.643 1.00 0.00 H new ATOM 0 HA MET A 110 1.484 -2.637 13.280 1.00 0.00 H new ATOM 0 HB2 MET A 110 0.096 -5.124 14.340 1.00 0.00 H new ATOM 0 HB3 MET A 110 1.416 -4.350 15.195 1.00 0.00 H new ATOM 0 HG2 MET A 110 -0.270 -2.217 14.707 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.408 -3.531 14.933 1.00 0.00 H new ATOM 0 HE1 MET A 110 2.142 -3.385 17.472 1.00 0.00 H new ATOM 0 HE2 MET A 110 1.921 -2.397 16.008 1.00 0.00 H new ATOM 0 HE3 MET A 110 1.637 -1.684 17.614 1.00 0.00 H new ATOM 1794 N SER A 111 3.472 -4.321 13.519 1.00 0.00 N ATOM 1795 CA SER A 111 4.701 -5.062 13.267 1.00 0.00 C ATOM 1796 C SER A 111 4.592 -6.492 13.783 1.00 0.00 C ATOM 1797 O SER A 111 5.029 -6.796 14.894 1.00 0.00 O ATOM 1798 CB SER A 111 5.888 -4.361 13.930 1.00 0.00 C ATOM 1799 OG SER A 111 7.118 -4.826 13.399 1.00 0.00 O ATOM 0 H SER A 111 3.534 -3.653 14.287 1.00 0.00 H new ATOM 0 HA SER A 111 4.860 -5.095 12.189 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.808 -3.284 13.781 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.863 -4.536 15.006 1.00 0.00 H new ATOM 0 HG SER A 111 7.841 -4.631 14.031 1.00 0.00 H new ATOM 1805 N GLY A 112 4.007 -7.367 12.973 1.00 0.00 N ATOM 1806 CA GLY A 112 3.853 -8.755 13.367 1.00 0.00 C ATOM 1807 C GLY A 112 2.647 -8.979 14.258 1.00 0.00 C ATOM 1808 O GLY A 112 2.592 -9.954 15.006 1.00 0.00 O ATOM 0 H GLY A 112 3.636 -7.140 12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.760 -9.374 12.474 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.752 -9.082 13.890 1.00 0.00 H new ATOM 1812 N ARG A 113 1.673 -8.076 14.177 1.00 0.00 N ATOM 1813 CA ARG A 113 0.461 -8.184 14.980 1.00 0.00 C ATOM 1814 C ARG A 113 -0.771 -8.258 14.085 1.00 0.00 C ATOM 1815 O ARG A 113 -1.149 -7.277 13.446 1.00 0.00 O ATOM 1816 CB ARG A 113 0.353 -6.998 15.941 1.00 0.00 C ATOM 1817 CG ARG A 113 0.608 -7.369 17.392 1.00 0.00 C ATOM 1818 CD ARG A 113 -0.229 -6.525 18.342 1.00 0.00 C ATOM 1819 NE ARG A 113 -1.297 -7.302 18.966 1.00 0.00 N ATOM 1820 CZ ARG A 113 -2.594 -7.004 18.878 1.00 0.00 C ATOM 1821 NH1 ARG A 113 -3.002 -5.941 18.194 1.00 0.00 N ATOM 1822 NH2 ARG A 113 -3.489 -7.776 19.479 1.00 0.00 N ATOM 0 H ARG A 113 1.701 -7.262 13.563 1.00 0.00 H new ATOM 0 HA ARG A 113 0.515 -9.102 15.565 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.066 -6.230 15.640 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.642 -6.561 15.855 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.379 -8.424 17.544 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.665 -7.236 17.622 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.413 -6.105 19.116 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.662 -5.686 17.797 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.033 -8.127 19.505 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.320 -5.342 17.728 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.997 -5.724 18.134 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.185 -8.594 20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.482 -7.551 19.414 1.00 0.00 H new ATOM 1836 N LYS A 114 -1.389 -9.434 14.037 1.00 0.00 N ATOM 1837 CA LYS A 114 -2.571 -9.649 13.214 1.00 0.00 C ATOM 1838 C LYS A 114 -3.762 -8.838 13.720 1.00 0.00 C ATOM 1839 O LYS A 114 -4.377 -9.183 14.728 1.00 0.00 O ATOM 1840 CB LYS A 114 -2.930 -11.138 13.182 1.00 0.00 C ATOM 1841 CG LYS A 114 -3.022 -11.711 11.777 1.00 0.00 C ATOM 1842 CD LYS A 114 -3.598 -13.119 11.786 1.00 0.00 C ATOM 1843 CE LYS A 114 -5.005 -13.150 11.209 1.00 0.00 C ATOM 1844 NZ LYS A 114 -5.416 -14.528 10.821 1.00 0.00 N ATOM 0 H LYS A 114 -1.088 -10.255 14.562 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.337 -9.311 12.204 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.182 -11.696 13.745 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.884 -11.284 13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.646 -11.065 11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.031 -11.725 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.952 -13.781 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.614 -13.500 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.707 -12.755 11.943 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.054 -12.497 10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.380 -14.506 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.761 -14.896 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.394 -15.145 11.658 1.00 0.00 H new ATOM 1858 N GLY A 115 -4.087 -7.769 13.001 1.00 0.00 N ATOM 1859 CA GLY A 115 -5.212 -6.934 13.381 1.00 0.00 C ATOM 1860 C GLY A 115 -6.488 -7.352 12.677 1.00 0.00 C ATOM 1861 O GLY A 115 -6.562 -8.445 12.116 1.00 0.00 O ATOM 0 H GLY A 115 -3.592 -7.466 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.357 -6.989 14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -4.989 -5.894 13.142 1.00 0.00 H new ATOM 1865 N THR A 116 -7.495 -6.487 12.701 1.00 0.00 N ATOM 1866 CA THR A 116 -8.769 -6.784 12.051 1.00 0.00 C ATOM 1867 C THR A 116 -8.732 -6.388 10.579 1.00 0.00 C ATOM 1868 O THR A 116 -9.334 -7.046 9.732 1.00 0.00 O ATOM 1869 CB THR A 116 -9.913 -6.058 12.761 1.00 0.00 C ATOM 1870 OG1 THR A 116 -9.794 -6.186 14.166 1.00 0.00 O ATOM 1871 CG2 THR A 116 -11.281 -6.570 12.365 1.00 0.00 C ATOM 0 H THR A 116 -7.456 -5.577 13.161 1.00 0.00 H new ATOM 0 HA THR A 116 -8.939 -7.859 12.115 1.00 0.00 H new ATOM 0 HB THR A 116 -9.830 -5.016 12.453 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.534 -5.713 14.601 1.00 0.00 H new ATOM 0 HG21 THR A 116 -12.048 -6.014 12.904 1.00 0.00 H new ATOM 0 HG22 THR A 116 -11.423 -6.437 11.292 1.00 0.00 H new ATOM 0 HG23 THR A 116 -11.359 -7.629 12.613 1.00 0.00 H new ATOM 1879 N ASP A 117 -8.020 -5.304 10.284 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.902 -4.813 8.916 1.00 0.00 C ATOM 1881 C ASP A 117 -6.828 -5.579 8.147 1.00 0.00 C ATOM 1882 O ASP A 117 -6.866 -5.659 6.919 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.577 -3.316 8.918 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.415 -2.541 9.916 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -7.991 -2.426 11.086 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -9.496 -2.049 9.530 1.00 0.00 O ATOM 0 H ASP A 117 -7.516 -4.749 10.975 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.858 -4.972 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.521 -3.177 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.740 -2.911 7.919 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.866 -6.138 8.880 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.774 -6.898 8.274 1.00 0.00 C ATOM 1893 C ASP A 118 -5.293 -7.919 7.263 1.00 0.00 C ATOM 1894 O ASP A 118 -4.681 -8.134 6.215 1.00 0.00 O ATOM 1895 CB ASP A 118 -3.964 -7.608 9.361 1.00 0.00 C ATOM 1896 CG ASP A 118 -2.717 -6.840 9.747 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -1.705 -6.946 9.022 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -2.750 -6.131 10.776 1.00 0.00 O ATOM 0 H ASP A 118 -5.821 -6.078 9.897 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.134 -6.194 7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.589 -7.748 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.682 -8.601 9.010 1.00 0.00 H new ATOM 1903 N SER A 119 -6.415 -8.553 7.588 1.00 0.00 N ATOM 1904 CA SER A 119 -7.006 -9.561 6.709 1.00 0.00 C ATOM 1905 C SER A 119 -7.668 -8.931 5.483 1.00 0.00 C ATOM 1906 O SER A 119 -8.107 -9.639 4.578 1.00 0.00 O ATOM 1907 CB SER A 119 -8.030 -10.397 7.480 1.00 0.00 C ATOM 1908 OG SER A 119 -8.934 -9.569 8.191 1.00 0.00 O ATOM 0 H SER A 119 -6.934 -8.389 8.451 1.00 0.00 H new ATOM 0 HA SER A 119 -6.198 -10.203 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 119 -8.582 -11.032 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 119 -7.514 -11.059 8.176 1.00 0.00 H new ATOM 0 HG SER A 119 -9.579 -10.127 8.674 1.00 0.00 H new ATOM 1914 N MET A 120 -7.736 -7.604 5.452 1.00 0.00 N ATOM 1915 CA MET A 120 -8.343 -6.900 4.329 1.00 0.00 C ATOM 1916 C MET A 120 -7.354 -6.771 3.178 1.00 0.00 C ATOM 1917 O MET A 120 -6.150 -6.924 3.369 1.00 0.00 O ATOM 1918 CB MET A 120 -8.818 -5.512 4.765 1.00 0.00 C ATOM 1919 CG MET A 120 -9.800 -4.872 3.798 1.00 0.00 C ATOM 1920 SD MET A 120 -10.678 -3.472 4.523 1.00 0.00 S ATOM 1921 CE MET A 120 -9.312 -2.514 5.176 1.00 0.00 C ATOM 0 H MET A 120 -7.379 -6.996 6.190 1.00 0.00 H new ATOM 0 HA MET A 120 -9.202 -7.478 3.988 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.286 -5.589 5.746 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.952 -4.859 4.875 1.00 0.00 H new ATOM 0 HG2 MET A 120 -9.264 -4.539 2.909 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.523 -5.620 3.472 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.454 -2.360 6.246 1.00 0.00 H new ATOM 0 HE2 MET A 120 -8.378 -3.050 5.008 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.271 -1.548 4.672 1.00 0.00 H new ATOM 1931 N THR A 121 -7.867 -6.481 1.986 1.00 0.00 N ATOM 1932 CA THR A 121 -7.021 -6.321 0.805 1.00 0.00 C ATOM 1933 C THR A 121 -7.040 -4.874 0.328 1.00 0.00 C ATOM 1934 O THR A 121 -7.958 -4.122 0.654 1.00 0.00 O ATOM 1935 CB THR A 121 -7.486 -7.257 -0.315 1.00 0.00 C ATOM 1936 OG1 THR A 121 -8.898 -7.389 -0.309 1.00 0.00 O ATOM 1937 CG2 THR A 121 -6.894 -8.648 -0.218 1.00 0.00 C ATOM 0 H THR A 121 -8.864 -6.352 1.811 1.00 0.00 H new ATOM 0 HA THR A 121 -5.998 -6.583 1.075 1.00 0.00 H new ATOM 0 HB THR A 121 -7.138 -6.794 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.204 -7.671 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.264 -9.259 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.807 -8.586 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.184 -9.102 0.730 1.00 0.00 H new ATOM 1945 N LEU A 122 -6.029 -4.483 -0.450 1.00 0.00 N ATOM 1946 CA LEU A 122 -5.945 -3.121 -0.959 1.00 0.00 C ATOM 1947 C LEU A 122 -7.142 -2.797 -1.849 1.00 0.00 C ATOM 1948 O LEU A 122 -7.762 -1.744 -1.709 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.635 -2.926 -1.729 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.625 -1.993 -1.058 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -2.313 -1.990 -1.825 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -4.189 -0.583 -0.955 1.00 0.00 C ATOM 0 H LEU A 122 -5.262 -5.090 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.960 -2.435 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -4.167 -3.900 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.868 -2.534 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.432 -2.360 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.606 -1.321 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.902 -2.999 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.488 -1.647 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.458 0.067 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.410 -0.206 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.104 -0.599 -0.362 1.00 0.00 H new ATOM 1964 N GLN A 123 -7.432 -3.686 -2.795 1.00 0.00 N ATOM 1965 CA GLN A 123 -8.535 -3.482 -3.733 1.00 0.00 C ATOM 1966 C GLN A 123 -9.810 -3.052 -3.010 1.00 0.00 C ATOM 1967 O GLN A 123 -10.609 -2.285 -3.546 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.792 -4.765 -4.527 1.00 0.00 C ATOM 1969 CG GLN A 123 -9.300 -5.914 -3.673 1.00 0.00 C ATOM 1970 CD GLN A 123 -8.909 -7.270 -4.225 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -8.737 -8.243 -3.338 1.00 0.00 O flip ATOM 1972 NE2 GLN A 123 -8.762 -7.441 -5.436 1.00 0.00 N flip ATOM 0 H GLN A 123 -6.918 -4.556 -2.933 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.250 -2.683 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -9.519 -4.557 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.868 -5.069 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.907 -5.811 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -10.386 -5.855 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.905 -6.664 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -8.498 -8.359 -5.793 1.00 0.00 H new ATOM 1981 N SER A 124 -9.996 -3.556 -1.794 1.00 0.00 N ATOM 1982 CA SER A 124 -11.179 -3.228 -1.004 1.00 0.00 C ATOM 1983 C SER A 124 -11.084 -1.824 -0.406 1.00 0.00 C ATOM 1984 O SER A 124 -12.084 -1.264 0.043 1.00 0.00 O ATOM 1985 CB SER A 124 -11.372 -4.259 0.111 1.00 0.00 C ATOM 1986 OG SER A 124 -12.689 -4.781 0.101 1.00 0.00 O ATOM 0 H SER A 124 -9.344 -4.192 -1.334 1.00 0.00 H new ATOM 0 HA SER A 124 -12.040 -3.251 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.655 -5.071 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.168 -3.797 1.077 1.00 0.00 H new ATOM 0 HG SER A 124 -12.786 -5.438 0.821 1.00 0.00 H new ATOM 1992 N GLN A 125 -9.877 -1.261 -0.397 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.660 0.073 0.151 1.00 0.00 C ATOM 1994 C GLN A 125 -9.823 1.154 -0.919 1.00 0.00 C ATOM 1995 O GLN A 125 -9.432 2.303 -0.712 1.00 0.00 O ATOM 1996 CB GLN A 125 -8.265 0.165 0.770 1.00 0.00 C ATOM 1997 CG GLN A 125 -8.152 -0.540 2.109 1.00 0.00 C ATOM 1998 CD GLN A 125 -6.950 -1.460 2.185 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -5.833 -1.071 1.844 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -7.176 -2.688 2.632 1.00 0.00 N ATOM 0 H GLN A 125 -9.037 -1.709 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.414 0.243 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.540 -0.265 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.000 1.215 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.086 0.204 2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -9.059 -1.118 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.119 -2.966 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.407 -3.354 2.704 1.00 0.00 H new ATOM 2009 N LYS A 126 -10.400 0.780 -2.061 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.617 1.714 -3.165 1.00 0.00 C ATOM 2011 C LYS A 126 -9.301 2.148 -3.813 1.00 0.00 C ATOM 2012 O LYS A 126 -9.297 2.998 -4.704 1.00 0.00 O ATOM 2013 CB LYS A 126 -11.390 2.946 -2.686 1.00 0.00 C ATOM 2014 CG LYS A 126 -12.794 2.632 -2.196 1.00 0.00 C ATOM 2015 CD LYS A 126 -13.395 3.805 -1.439 1.00 0.00 C ATOM 2016 CE LYS A 126 -13.065 3.738 0.042 1.00 0.00 C ATOM 2017 NZ LYS A 126 -11.800 4.454 0.364 1.00 0.00 N ATOM 0 H LYS A 126 -10.727 -0.168 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 126 -11.205 1.189 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.832 3.424 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -11.452 3.666 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.430 2.382 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -12.767 1.755 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -13.018 4.739 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -14.477 3.810 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -13.884 4.172 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -12.979 2.695 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.906 4.957 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.022 3.768 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.587 5.138 -0.390 1.00 0.00 H new ATOM 2031 N PHE A 127 -8.186 1.565 -3.375 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.886 1.908 -3.934 1.00 0.00 C ATOM 2033 C PHE A 127 -6.652 1.177 -5.253 1.00 0.00 C ATOM 2034 O PHE A 127 -7.124 0.057 -5.444 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.773 1.561 -2.945 1.00 0.00 C ATOM 2036 CG PHE A 127 -4.466 2.216 -3.276 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -4.302 3.581 -3.116 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.404 1.467 -3.753 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -3.102 4.190 -3.425 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -2.200 2.068 -4.065 1.00 0.00 C ATOM 2041 CZ PHE A 127 -2.049 3.433 -3.900 1.00 0.00 C ATOM 0 H PHE A 127 -8.160 0.858 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.873 2.981 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -6.079 1.861 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.636 0.480 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -5.123 4.177 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.518 0.401 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -2.987 5.256 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.379 1.474 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.109 3.906 -4.142 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.922 1.818 -6.161 1.00 0.00 N ATOM 2052 CA GLN A 128 -5.630 1.226 -7.461 1.00 0.00 C ATOM 2053 C GLN A 128 -4.182 1.488 -7.868 1.00 0.00 C ATOM 2054 O GLN A 128 -3.511 2.346 -7.294 1.00 0.00 O ATOM 2055 CB GLN A 128 -6.578 1.782 -8.524 1.00 0.00 C ATOM 2056 CG GLN A 128 -6.597 3.301 -8.588 1.00 0.00 C ATOM 2057 CD GLN A 128 -7.994 3.858 -8.782 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -8.591 3.710 -9.848 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -8.521 4.504 -7.749 1.00 0.00 N ATOM 0 H GLN A 128 -5.523 2.746 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.777 0.149 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.288 1.389 -9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -7.587 1.422 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.173 3.705 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -5.960 3.635 -9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.989 4.603 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -9.458 4.902 -7.820 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.709 0.741 -8.859 1.00 0.00 N ATOM 2069 CA ILE A 129 -2.342 0.888 -9.344 1.00 0.00 C ATOM 2070 C ILE A 129 -2.087 2.304 -9.848 1.00 0.00 C ATOM 2071 O ILE A 129 -2.790 2.796 -10.731 1.00 0.00 O ATOM 2072 CB ILE A 129 -2.033 -0.111 -10.480 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -2.392 -1.535 -10.049 1.00 0.00 C ATOM 2074 CG2 ILE A 129 -0.566 -0.025 -10.881 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -2.078 -2.582 -11.096 1.00 0.00 C ATOM 0 H ILE A 129 -4.253 0.027 -9.343 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.685 0.680 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 129 -2.640 0.150 -11.347 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.852 -1.776 -9.133 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.455 -1.577 -9.813 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.366 -0.736 -11.683 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -0.342 0.984 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.061 -0.262 -10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.359 -3.567 -10.722 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -2.638 -2.366 -12.006 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.010 -2.568 -11.316 1.00 0.00 H new ATOM 2087 N GLY A 130 -1.075 2.954 -9.285 1.00 0.00 N ATOM 2088 CA GLY A 130 -0.742 4.306 -9.692 1.00 0.00 C ATOM 2089 C GLY A 130 -1.170 5.349 -8.678 1.00 0.00 C ATOM 2090 O GLY A 130 -0.667 6.472 -8.687 1.00 0.00 O ATOM 0 H GLY A 130 -0.479 2.568 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.334 4.378 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -1.218 4.520 -10.649 1.00 0.00 H new ATOM 2094 N ASP A 131 -2.107 4.986 -7.805 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.596 5.909 -6.793 1.00 0.00 C ATOM 2096 C ASP A 131 -1.541 6.157 -5.720 1.00 0.00 C ATOM 2097 O ASP A 131 -0.549 5.435 -5.611 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.884 5.383 -6.157 1.00 0.00 C ATOM 2099 CG ASP A 131 -5.124 5.924 -6.843 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -5.277 5.695 -8.060 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.942 6.576 -6.161 1.00 0.00 O ATOM 0 H ASP A 131 -2.539 4.062 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.812 6.857 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.891 4.294 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.905 5.658 -5.102 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.756 7.209 -4.924 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.825 7.578 -3.872 1.00 0.00 C ATOM 2108 C TYR A 132 -1.302 7.119 -2.492 1.00 0.00 C ATOM 2109 O TYR A 132 -2.357 7.540 -2.012 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.627 9.097 -3.859 1.00 0.00 C ATOM 2111 CG TYR A 132 -0.420 9.700 -5.229 1.00 0.00 C ATOM 2112 CD1 TYR A 132 -1.488 9.870 -6.101 1.00 0.00 C ATOM 2113 CD2 TYR A 132 0.841 10.101 -5.650 1.00 0.00 C ATOM 2114 CE1 TYR A 132 -1.304 10.421 -7.355 1.00 0.00 C ATOM 2115 CE2 TYR A 132 1.033 10.654 -6.901 1.00 0.00 C ATOM 2116 CZ TYR A 132 -0.042 10.813 -7.749 1.00 0.00 C ATOM 2117 OH TYR A 132 0.146 11.364 -8.997 1.00 0.00 O ATOM 0 H TYR A 132 -2.572 7.817 -4.995 1.00 0.00 H new ATOM 0 HA TYR A 132 0.119 7.076 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.497 9.563 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.233 9.336 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.478 9.567 -5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.686 9.978 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.144 10.544 -8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.020 10.960 -7.213 1.00 0.00 H new ATOM 0 HH TYR A 132 1.093 11.587 -9.117 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.501 6.273 -1.846 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.825 5.773 -0.512 1.00 0.00 C ATOM 2129 C LEU A 133 0.092 6.428 0.510 1.00 0.00 C ATOM 2130 O LEU A 133 1.303 6.494 0.309 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.644 4.246 -0.457 1.00 0.00 C ATOM 2132 CG LEU A 133 -1.921 3.385 -0.475 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.671 2.068 0.240 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -3.105 4.107 0.155 1.00 0.00 C ATOM 0 H LEU A 133 0.377 5.920 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.863 6.015 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.024 3.949 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -0.086 4.004 0.448 1.00 0.00 H new ATOM 0 HG LEU A 133 -2.173 3.192 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.580 1.466 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.868 1.528 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.386 2.264 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -3.984 3.463 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.873 4.350 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.306 5.025 -0.396 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.467 6.919 1.611 1.00 0.00 N ATOM 2147 CA ASP A 134 0.338 7.563 2.647 1.00 0.00 C ATOM 2148 C ASP A 134 0.224 6.794 3.957 1.00 0.00 C ATOM 2149 O ASP A 134 -0.864 6.662 4.515 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.118 9.007 2.856 1.00 0.00 C ATOM 2151 CG ASP A 134 1.039 9.951 3.116 1.00 0.00 C ATOM 2152 OD1 ASP A 134 1.639 9.868 4.208 1.00 0.00 O ATOM 2153 OD2 ASP A 134 1.347 10.772 2.225 1.00 0.00 O ATOM 0 H ASP A 134 -1.467 6.885 1.810 1.00 0.00 H new ATOM 0 HA ASP A 134 1.379 7.564 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -0.665 9.343 1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -0.811 9.047 3.696 1.00 0.00 H new ATOM 2158 N ILE A 135 1.346 6.276 4.439 1.00 0.00 N ATOM 2159 CA ILE A 135 1.356 5.506 5.674 1.00 0.00 C ATOM 2160 C ILE A 135 1.922 6.317 6.836 1.00 0.00 C ATOM 2161 O ILE A 135 2.761 7.200 6.656 1.00 0.00 O ATOM 2162 CB ILE A 135 2.159 4.194 5.510 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.397 3.219 4.608 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.447 3.554 6.865 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.129 2.886 3.327 1.00 0.00 C ATOM 0 H ILE A 135 2.259 6.375 3.994 1.00 0.00 H new ATOM 0 HA ILE A 135 0.319 5.257 5.901 1.00 0.00 H new ATOM 0 HB ILE A 135 3.114 4.434 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.208 2.298 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.426 3.648 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 135 3.013 2.634 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.028 4.244 7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.507 3.327 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.532 2.191 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.294 3.799 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.089 2.428 3.565 1.00 0.00 H new ATOM 2177 N ALA A 136 1.448 6.000 8.033 1.00 0.00 N ATOM 2178 CA ALA A 136 1.888 6.675 9.245 1.00 0.00 C ATOM 2179 C ALA A 136 2.369 5.652 10.269 1.00 0.00 C ATOM 2180 O ALA A 136 1.565 4.952 10.880 1.00 0.00 O ATOM 2181 CB ALA A 136 0.755 7.515 9.816 1.00 0.00 C ATOM 0 H ALA A 136 0.751 5.272 8.191 1.00 0.00 H new ATOM 0 HA ALA A 136 2.719 7.337 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.095 8.016 10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.449 8.261 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.092 6.871 10.053 1.00 0.00 H new ATOM 2187 N ILE A 137 3.684 5.563 10.445 1.00 0.00 N ATOM 2188 CA ILE A 137 4.264 4.614 11.389 1.00 0.00 C ATOM 2189 C ILE A 137 4.421 5.226 12.778 1.00 0.00 C ATOM 2190 O ILE A 137 5.138 6.211 12.956 1.00 0.00 O ATOM 2191 CB ILE A 137 5.635 4.108 10.900 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.535 3.612 9.457 1.00 0.00 C ATOM 2193 CG2 ILE A 137 6.154 3.005 11.810 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.875 3.503 8.762 1.00 0.00 C ATOM 0 H ILE A 137 4.366 6.135 9.948 1.00 0.00 H new ATOM 0 HA ILE A 137 3.573 3.774 11.452 1.00 0.00 H new ATOM 0 HB ILE A 137 6.341 4.938 10.932 1.00 0.00 H new ATOM 0 HG12 ILE A 137 5.050 2.636 9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 137 4.895 4.290 8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 137 7.123 2.661 11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 137 6.261 3.390 12.824 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.450 2.173 11.811 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.728 3.146 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.353 4.482 8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.510 2.803 9.304 1.00 0.00 H new ATOM 2206 N THR A 138 3.748 4.630 13.757 1.00 0.00 N ATOM 2207 CA THR A 138 3.810 5.109 15.134 1.00 0.00 C ATOM 2208 C THR A 138 4.591 4.134 16.017 1.00 0.00 C ATOM 2209 O THR A 138 4.117 3.036 16.306 1.00 0.00 O ATOM 2210 CB THR A 138 2.399 5.297 15.693 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.475 5.546 14.648 1.00 0.00 O ATOM 2212 CG2 THR A 138 2.294 6.437 16.682 1.00 0.00 C ATOM 0 H THR A 138 3.152 3.813 13.622 1.00 0.00 H new ATOM 0 HA THR A 138 4.328 6.068 15.135 1.00 0.00 H new ATOM 0 HB THR A 138 2.167 4.367 16.211 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.264 4.705 14.191 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.267 6.515 17.039 1.00 0.00 H new ATOM 0 HG22 THR A 138 2.959 6.249 17.525 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.580 7.369 16.195 1.00 0.00 H new ATOM 2220 N PRO A 139 5.801 4.522 16.460 1.00 0.00 N ATOM 2221 CA PRO A 139 6.639 3.669 17.312 1.00 0.00 C ATOM 2222 C PRO A 139 5.970 3.355 18.648 1.00 0.00 C ATOM 2223 O PRO A 139 5.099 4.095 19.106 1.00 0.00 O ATOM 2224 CB PRO A 139 7.908 4.502 17.534 1.00 0.00 C ATOM 2225 CG PRO A 139 7.896 5.531 16.455 1.00 0.00 C ATOM 2226 CD PRO A 139 6.450 5.810 16.168 1.00 0.00 C ATOM 0 HA PRO A 139 6.831 2.701 16.849 1.00 0.00 H new ATOM 0 HB2 PRO A 139 7.906 4.966 18.520 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.802 3.881 17.475 1.00 0.00 H new ATOM 0 HG2 PRO A 139 8.413 6.436 16.773 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.408 5.168 15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 139 6.061 6.610 16.797 1.00 0.00 H new ATOM 0 HD3 PRO A 139 6.295 6.115 15.133 1.00 0.00 H new ATOM 2234 N PRO A 140 6.366 2.242 19.293 1.00 0.00 N ATOM 2235 CA PRO A 140 5.798 1.829 20.578 1.00 0.00 C ATOM 2236 C PRO A 140 6.361 2.616 21.759 1.00 0.00 C ATOM 2237 O PRO A 140 5.965 2.398 22.903 1.00 0.00 O ATOM 2238 CB PRO A 140 6.203 0.360 20.674 1.00 0.00 C ATOM 2239 CG PRO A 140 7.485 0.276 19.922 1.00 0.00 C ATOM 2240 CD PRO A 140 7.395 1.296 18.816 1.00 0.00 C ATOM 0 HA PRO A 140 4.723 2.002 20.621 1.00 0.00 H new ATOM 0 HB2 PRO A 140 6.331 0.051 21.711 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.444 -0.290 20.238 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.333 0.484 20.575 1.00 0.00 H new ATOM 0 HG3 PRO A 140 7.633 -0.725 19.517 1.00 0.00 H new ATOM 0 HD2 PRO A 140 8.351 1.794 18.652 1.00 0.00 H new ATOM 0 HD3 PRO A 140 7.108 0.836 17.870 1.00 0.00 H new