USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 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 -124:sc= -3.03! (180deg=-1.01) USER MOD Set 1.2: A 124 SER OG : rot -31:sc= 0.211 USER MOD Set 1.3: A 125 GLN : amide:sc= -4.59 X(o=-7.4,f=-7.3!) USER MOD Set 2.1: A 70 THR OG1 : rot -82:sc= 0.842 USER MOD Set 2.2: A 109 THR OG1 : rot -114:sc= 0.968 USER MOD Set 3.1: A 86 HIS : no HD1:sc= -0.452 X(o=-0.45,f=0.045) USER MOD Set 3.2: A 108 SER OG : rot -150:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 100:sc= -2.7! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 137:sc= -2.49! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 36 ASN : amide:sc= -2.25 K(o=-2.3,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -6.5! C(o=-6.5!,f=-14!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -139:sc= -0.154 USER MOD Single : A 62 MET CE :methyl 141:sc= -5.86! (180deg=-12.7!) USER MOD Single : A 65 THR OG1 : rot 63:sc= -0.18 USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= 0.722 (180deg=0.0386) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -117:sc= -1.21! (180deg=-4.86!) USER MOD Single : A 77 TYR OH : 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 94:sc= 0.845 USER MOD Single : A 88 ASN : amide:sc= -5.82! C(o=-5.8!,f=-10!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 162:sc= -6.26! (180deg=-6.83!) USER MOD Single : A 111 SER OG : rot -175:sc= -0.975 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 123 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.12) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -4.846 -13.376 -8.439 1.00 0.00 N ATOM 319 CA ASP A 21 -4.794 -14.404 -7.404 1.00 0.00 C ATOM 320 C ASP A 21 -3.844 -13.997 -6.282 1.00 0.00 C ATOM 321 O ASP A 21 -2.648 -13.811 -6.505 1.00 0.00 O ATOM 322 CB ASP A 21 -4.356 -15.742 -8.004 1.00 0.00 C ATOM 323 CG ASP A 21 -5.529 -16.658 -8.292 1.00 0.00 C ATOM 324 OD1 ASP A 21 -6.266 -16.391 -9.266 1.00 0.00 O ATOM 325 OD2 ASP A 21 -5.710 -17.642 -7.546 1.00 0.00 O ATOM 0 HA ASP A 21 -5.794 -14.515 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.805 -15.560 -8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.671 -16.238 -7.317 1.00 0.00 H new ATOM 330 N ARG A 22 -4.390 -13.856 -5.076 1.00 0.00 N ATOM 331 CA ARG A 22 -3.605 -13.463 -3.905 1.00 0.00 C ATOM 332 C ARG A 22 -2.267 -14.204 -3.833 1.00 0.00 C ATOM 333 O ARG A 22 -1.299 -13.694 -3.267 1.00 0.00 O ATOM 334 CB ARG A 22 -4.410 -13.719 -2.627 1.00 0.00 C ATOM 335 CG ARG A 22 -4.851 -12.446 -1.921 1.00 0.00 C ATOM 336 CD ARG A 22 -6.293 -12.543 -1.447 1.00 0.00 C ATOM 337 NE ARG A 22 -6.393 -13.157 -0.124 1.00 0.00 N ATOM 338 CZ ARG A 22 -7.371 -13.983 0.244 1.00 0.00 C ATOM 339 NH1 ARG A 22 -8.347 -14.296 -0.600 1.00 0.00 N ATOM 340 NH2 ARG A 22 -7.374 -14.498 1.466 1.00 0.00 N ATOM 0 H ARG A 22 -5.380 -14.009 -4.882 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.387 -12.399 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.291 -14.311 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.808 -14.315 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.199 -12.257 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.745 -11.598 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.733 -11.546 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.872 -13.127 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.668 -12.939 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.353 -13.903 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.091 -14.930 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.629 -14.261 2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.122 -15.131 1.751 1.00 0.00 H new ATOM 354 N GLU A 23 -2.219 -15.410 -4.393 1.00 0.00 N ATOM 355 CA GLU A 23 -0.997 -16.213 -4.370 1.00 0.00 C ATOM 356 C GLU A 23 -0.213 -16.092 -5.678 1.00 0.00 C ATOM 357 O GLU A 23 0.988 -15.821 -5.665 1.00 0.00 O ATOM 358 CB GLU A 23 -1.336 -17.681 -4.098 1.00 0.00 C ATOM 359 CG GLU A 23 -0.754 -18.207 -2.796 1.00 0.00 C ATOM 360 CD GLU A 23 0.241 -19.331 -3.012 1.00 0.00 C ATOM 361 OE1 GLU A 23 -0.189 -20.501 -3.084 1.00 0.00 O ATOM 362 OE2 GLU A 23 1.453 -19.042 -3.111 1.00 0.00 O ATOM 0 H GLU A 23 -3.007 -15.852 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.367 -15.830 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.420 -17.797 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.967 -18.290 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.264 -17.390 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.563 -18.561 -2.158 1.00 0.00 H new ATOM 369 N LYS A 24 -0.892 -16.303 -6.801 1.00 0.00 N ATOM 370 CA LYS A 24 -0.249 -16.228 -8.113 1.00 0.00 C ATOM 371 C LYS A 24 -0.327 -14.816 -8.694 1.00 0.00 C ATOM 372 O LYS A 24 -0.361 -14.636 -9.911 1.00 0.00 O ATOM 373 CB LYS A 24 -0.897 -17.227 -9.076 1.00 0.00 C ATOM 374 CG LYS A 24 -0.070 -18.485 -9.292 1.00 0.00 C ATOM 375 CD LYS A 24 1.009 -18.270 -10.346 1.00 0.00 C ATOM 376 CE LYS A 24 0.730 -19.075 -11.605 1.00 0.00 C ATOM 377 NZ LYS A 24 1.671 -20.220 -11.756 1.00 0.00 N ATOM 0 H LYS A 24 -1.887 -16.527 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 24 0.803 -16.481 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.877 -17.508 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.060 -16.740 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.393 -18.783 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.722 -19.302 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.068 -17.211 -10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.979 -18.556 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.294 -19.448 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.808 -18.424 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.446 -20.742 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.646 -19.863 -11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.579 -20.855 -10.938 1.00 0.00 H new ATOM 391 N THR A 25 -0.357 -13.818 -7.816 1.00 0.00 N ATOM 392 CA THR A 25 -0.433 -12.424 -8.239 1.00 0.00 C ATOM 393 C THR A 25 0.913 -11.922 -8.757 1.00 0.00 C ATOM 394 O THR A 25 1.958 -12.510 -8.479 1.00 0.00 O ATOM 395 CB THR A 25 -0.885 -11.550 -7.072 1.00 0.00 C ATOM 396 OG1 THR A 25 -0.906 -10.186 -7.450 1.00 0.00 O ATOM 397 CG2 THR A 25 0.006 -11.676 -5.856 1.00 0.00 C ATOM 0 H THR A 25 -0.330 -13.949 -6.805 1.00 0.00 H new ATOM 0 HA THR A 25 -1.157 -12.362 -9.051 1.00 0.00 H new ATOM 0 HB THR A 25 -1.883 -11.903 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.825 -9.919 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.369 -11.030 -5.062 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.008 -12.710 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.022 -11.378 -6.117 1.00 0.00 H new ATOM 405 N SER A 26 0.876 -10.819 -9.501 1.00 0.00 N ATOM 406 CA SER A 26 2.087 -10.217 -10.050 1.00 0.00 C ATOM 407 C SER A 26 2.441 -8.939 -9.290 1.00 0.00 C ATOM 408 O SER A 26 1.561 -8.260 -8.760 1.00 0.00 O ATOM 409 CB SER A 26 1.901 -9.908 -11.537 1.00 0.00 C ATOM 410 OG SER A 26 1.961 -11.090 -12.315 1.00 0.00 O ATOM 0 H SER A 26 0.017 -10.323 -9.738 1.00 0.00 H new ATOM 0 HA SER A 26 2.905 -10.928 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.941 -9.415 -11.692 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.673 -9.213 -11.866 1.00 0.00 H new ATOM 0 HG SER A 26 1.838 -10.866 -13.261 1.00 0.00 H new ATOM 416 N PRO A 27 3.740 -8.596 -9.219 1.00 0.00 N ATOM 417 CA PRO A 27 4.203 -7.398 -8.511 1.00 0.00 C ATOM 418 C PRO A 27 3.971 -6.112 -9.303 1.00 0.00 C ATOM 419 O PRO A 27 3.809 -6.142 -10.524 1.00 0.00 O ATOM 420 CB PRO A 27 5.698 -7.657 -8.342 1.00 0.00 C ATOM 421 CG PRO A 27 6.066 -8.504 -9.512 1.00 0.00 C ATOM 422 CD PRO A 27 4.858 -9.352 -9.814 1.00 0.00 C ATOM 0 HA PRO A 27 3.665 -7.246 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.264 -6.725 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.909 -8.166 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.333 -7.887 -10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.932 -9.126 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.723 -9.488 -10.887 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.947 -10.346 -9.375 1.00 0.00 H new ATOM 430 N LEU A 28 3.966 -4.983 -8.597 1.00 0.00 N ATOM 431 CA LEU A 28 3.763 -3.681 -9.226 1.00 0.00 C ATOM 432 C LEU A 28 4.412 -2.573 -8.398 1.00 0.00 C ATOM 433 O LEU A 28 4.418 -2.628 -7.168 1.00 0.00 O ATOM 434 CB LEU A 28 2.266 -3.401 -9.410 1.00 0.00 C ATOM 435 CG LEU A 28 1.555 -2.790 -8.197 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.640 -1.272 -8.238 1.00 0.00 C ATOM 437 CD2 LEU A 28 0.102 -3.244 -8.147 1.00 0.00 C ATOM 0 H LEU A 28 4.101 -4.945 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 28 4.237 -3.699 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.142 -2.729 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.768 -4.336 -9.668 1.00 0.00 H new ATOM 0 HG LEU A 28 2.055 -3.137 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.130 -0.855 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.686 -0.966 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.165 -0.905 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.388 -2.801 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.410 -2.926 -9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.063 -4.331 -8.070 1.00 0.00 H new ATOM 449 N LEU A 29 4.960 -1.571 -9.078 1.00 0.00 N ATOM 450 CA LEU A 29 5.614 -0.455 -8.401 1.00 0.00 C ATOM 451 C LEU A 29 4.587 0.493 -7.787 1.00 0.00 C ATOM 452 O LEU A 29 3.732 1.037 -8.487 1.00 0.00 O ATOM 453 CB LEU A 29 6.516 0.307 -9.381 1.00 0.00 C ATOM 454 CG LEU A 29 7.046 1.654 -8.879 1.00 0.00 C ATOM 455 CD1 LEU A 29 7.508 1.549 -7.433 1.00 0.00 C ATOM 456 CD2 LEU A 29 8.183 2.139 -9.767 1.00 0.00 C ATOM 0 H LEU A 29 4.965 -1.508 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 29 6.227 -0.861 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.366 -0.327 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.960 0.476 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 29 6.234 2.380 -8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.880 2.517 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.671 1.245 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.305 0.809 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.549 3.097 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.993 1.410 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.822 2.258 -10.788 1.00 0.00 H new ATOM 468 N LEU A 30 4.681 0.688 -6.474 1.00 0.00 N ATOM 469 CA LEU A 30 3.760 1.568 -5.765 1.00 0.00 C ATOM 470 C LEU A 30 4.517 2.612 -4.944 1.00 0.00 C ATOM 471 O LEU A 30 5.606 2.341 -4.433 1.00 0.00 O ATOM 472 CB LEU A 30 2.843 0.752 -4.851 1.00 0.00 C ATOM 473 CG LEU A 30 1.586 1.476 -4.364 1.00 0.00 C ATOM 474 CD1 LEU A 30 1.937 2.492 -3.285 1.00 0.00 C ATOM 475 CD2 LEU A 30 0.874 2.154 -5.525 1.00 0.00 C ATOM 0 H LEU A 30 5.385 0.248 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 30 3.155 2.088 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.539 -0.150 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.417 0.432 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 30 0.911 0.737 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.030 2.996 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.399 1.981 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.633 3.227 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.017 2.663 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.542 2.880 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.586 1.405 -6.263 1.00 0.00 H new ATOM 487 N ARG A 31 3.928 3.801 -4.822 1.00 0.00 N ATOM 488 CA ARG A 31 4.539 4.889 -4.064 1.00 0.00 C ATOM 489 C ARG A 31 3.907 5.008 -2.681 1.00 0.00 C ATOM 490 O ARG A 31 2.686 5.137 -2.548 1.00 0.00 O ATOM 491 CB ARG A 31 4.392 6.210 -4.822 1.00 0.00 C ATOM 492 CG ARG A 31 5.242 6.284 -6.082 1.00 0.00 C ATOM 493 CD ARG A 31 6.241 7.429 -6.019 1.00 0.00 C ATOM 494 NE ARG A 31 5.874 8.526 -6.914 1.00 0.00 N ATOM 495 CZ ARG A 31 6.227 9.795 -6.719 1.00 0.00 C ATOM 496 NH1 ARG A 31 6.962 10.136 -5.667 1.00 0.00 N ATOM 497 NH2 ARG A 31 5.847 10.727 -7.582 1.00 0.00 N ATOM 0 H ARG A 31 3.027 4.034 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 31 5.599 4.665 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.345 6.351 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.665 7.032 -4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.775 5.343 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.596 6.412 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.302 7.801 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.232 7.061 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 31 5.314 8.306 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.261 9.424 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.228 11.110 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.285 10.472 -8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.117 11.700 -7.434 1.00 0.00 H new ATOM 511 N VAL A 32 4.746 4.966 -1.651 1.00 0.00 N ATOM 512 CA VAL A 32 4.273 5.065 -0.276 1.00 0.00 C ATOM 513 C VAL A 32 5.078 6.086 0.517 1.00 0.00 C ATOM 514 O VAL A 32 6.296 6.176 0.379 1.00 0.00 O ATOM 515 CB VAL A 32 4.346 3.707 0.449 1.00 0.00 C ATOM 516 CG1 VAL A 32 3.119 2.866 0.136 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.623 2.964 0.075 1.00 0.00 C ATOM 0 H VAL A 32 5.757 4.864 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 32 3.233 5.387 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 32 4.365 3.893 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.190 1.911 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.223 3.393 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.063 2.690 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.654 2.008 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.641 2.790 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.489 3.562 0.360 1.00 0.00 H new ATOM 527 N PHE A 33 4.388 6.848 1.353 1.00 0.00 N ATOM 528 CA PHE A 33 5.032 7.858 2.179 1.00 0.00 C ATOM 529 C PHE A 33 4.888 7.488 3.649 1.00 0.00 C ATOM 530 O PHE A 33 3.779 7.439 4.180 1.00 0.00 O ATOM 531 CB PHE A 33 4.419 9.228 1.895 1.00 0.00 C ATOM 532 CG PHE A 33 4.262 9.495 0.425 1.00 0.00 C ATOM 533 CD1 PHE A 33 3.234 8.903 -0.292 1.00 0.00 C ATOM 534 CD2 PHE A 33 5.149 10.321 -0.242 1.00 0.00 C ATOM 535 CE1 PHE A 33 3.092 9.135 -1.648 1.00 0.00 C ATOM 536 CE2 PHE A 33 5.016 10.555 -1.597 1.00 0.00 C ATOM 537 CZ PHE A 33 3.986 9.963 -2.302 1.00 0.00 C ATOM 0 H PHE A 33 3.378 6.785 1.477 1.00 0.00 H new ATOM 0 HA PHE A 33 6.094 7.904 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.445 9.294 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.047 10.002 2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.536 8.253 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.955 10.789 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.285 8.671 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.717 11.201 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.879 10.146 -3.361 1.00 0.00 H new ATOM 547 N THR A 34 6.012 7.194 4.292 1.00 0.00 N ATOM 548 CA THR A 34 5.996 6.788 5.690 1.00 0.00 C ATOM 549 C THR A 34 6.599 7.839 6.612 1.00 0.00 C ATOM 550 O THR A 34 7.720 8.303 6.408 1.00 0.00 O ATOM 551 CB THR A 34 6.745 5.467 5.866 1.00 0.00 C ATOM 552 OG1 THR A 34 8.099 5.600 5.468 1.00 0.00 O ATOM 553 CG2 THR A 34 6.144 4.327 5.073 1.00 0.00 C ATOM 0 H THR A 34 6.940 7.229 3.870 1.00 0.00 H new ATOM 0 HA THR A 34 4.950 6.665 5.970 1.00 0.00 H new ATOM 0 HB THR A 34 6.667 5.231 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.677 5.150 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.724 3.420 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.114 4.165 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.160 4.574 4.011 1.00 0.00 H new ATOM 561 N THR A 35 5.847 8.170 7.653 1.00 0.00 N ATOM 562 CA THR A 35 6.285 9.129 8.658 1.00 0.00 C ATOM 563 C THR A 35 6.558 8.380 9.961 1.00 0.00 C ATOM 564 O THR A 35 6.090 7.256 10.134 1.00 0.00 O ATOM 565 CB THR A 35 5.225 10.217 8.871 1.00 0.00 C ATOM 566 OG1 THR A 35 5.340 10.789 10.167 1.00 0.00 O ATOM 567 CG2 THR A 35 3.803 9.712 8.703 1.00 0.00 C ATOM 0 H THR A 35 4.919 7.783 7.824 1.00 0.00 H new ATOM 0 HA THR A 35 7.197 9.622 8.320 1.00 0.00 H new ATOM 0 HB THR A 35 5.417 10.962 8.099 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.656 11.481 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.104 10.532 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.673 9.321 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.610 8.920 9.427 1.00 0.00 H new ATOM 575 N ASN A 36 7.317 8.981 10.867 1.00 0.00 N ATOM 576 CA ASN A 36 7.634 8.318 12.132 1.00 0.00 C ATOM 577 C ASN A 36 6.847 8.918 13.293 1.00 0.00 C ATOM 578 O ASN A 36 7.286 8.872 14.441 1.00 0.00 O ATOM 579 CB ASN A 36 9.134 8.403 12.418 1.00 0.00 C ATOM 580 CG ASN A 36 9.538 7.585 13.629 1.00 0.00 C ATOM 581 OD1 ASN A 36 10.252 8.068 14.508 1.00 0.00 O ATOM 582 ND2 ASN A 36 9.083 6.339 13.681 1.00 0.00 N ATOM 0 H ASN A 36 7.721 9.911 10.757 1.00 0.00 H new ATOM 0 HA ASN A 36 7.346 7.271 12.035 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.688 8.055 11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.412 9.445 12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.323 5.741 14.472 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.494 5.979 12.930 1.00 0.00 H new ATOM 589 N ASN A 37 5.684 9.480 12.989 1.00 0.00 N ATOM 590 CA ASN A 37 4.844 10.083 14.016 1.00 0.00 C ATOM 591 C ASN A 37 3.390 9.614 13.907 1.00 0.00 C ATOM 592 O ASN A 37 2.603 9.800 14.834 1.00 0.00 O ATOM 593 CB ASN A 37 4.909 11.610 13.921 1.00 0.00 C ATOM 594 CG ASN A 37 5.490 12.243 15.171 1.00 0.00 C ATOM 595 OD1 ASN A 37 6.708 12.355 15.314 1.00 0.00 O ATOM 596 ND2 ASN A 37 4.619 12.661 16.082 1.00 0.00 N ATOM 0 H ASN A 37 5.302 9.531 12.045 1.00 0.00 H new ATOM 0 HA ASN A 37 5.226 9.762 14.985 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.514 11.892 13.059 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.907 12.004 13.750 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.951 13.096 16.943 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.618 12.547 15.921 1.00 0.00 H new ATOM 603 N GLY A 38 3.038 9.007 12.776 1.00 0.00 N ATOM 604 CA GLY A 38 1.680 8.531 12.586 1.00 0.00 C ATOM 605 C GLY A 38 0.688 9.663 12.410 1.00 0.00 C ATOM 606 O GLY A 38 -0.288 9.763 13.153 1.00 0.00 O ATOM 0 H GLY A 38 3.667 8.837 11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.645 7.882 11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.387 7.926 13.444 1.00 0.00 H new ATOM 610 N ARG A 39 0.939 10.521 11.425 1.00 0.00 N ATOM 611 CA ARG A 39 0.059 11.653 11.157 1.00 0.00 C ATOM 612 C ARG A 39 -0.211 11.797 9.663 1.00 0.00 C ATOM 613 O ARG A 39 0.717 11.885 8.858 1.00 0.00 O ATOM 614 CB ARG A 39 0.676 12.943 11.703 1.00 0.00 C ATOM 615 CG ARG A 39 0.719 13.001 13.220 1.00 0.00 C ATOM 616 CD ARG A 39 0.826 14.432 13.722 1.00 0.00 C ATOM 617 NE ARG A 39 0.900 14.498 15.179 1.00 0.00 N ATOM 618 CZ ARG A 39 -0.156 14.393 15.981 1.00 0.00 C ATOM 619 NH1 ARG A 39 -1.370 14.216 15.475 1.00 0.00 N ATOM 620 NH2 ARG A 39 0.001 14.463 17.296 1.00 0.00 N ATOM 0 H ARG A 39 1.743 10.454 10.801 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.890 11.469 11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.690 13.044 11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.106 13.794 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.179 12.538 13.628 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.569 12.423 13.583 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.711 14.901 13.293 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.036 15.002 13.377 1.00 0.00 H new ATOM 0 HE ARG A 39 1.816 14.633 15.607 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.498 14.160 14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.175 14.136 16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.931 14.597 17.692 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.809 14.383 17.911 1.00 0.00 H new ATOM 864 N GLU A 55 9.804 8.979 1.006 1.00 0.00 N ATOM 865 CA GLU A 55 8.956 8.146 0.158 1.00 0.00 C ATOM 866 C GLU A 55 9.671 6.839 -0.166 1.00 0.00 C ATOM 867 O GLU A 55 10.889 6.815 -0.340 1.00 0.00 O ATOM 868 CB GLU A 55 8.577 8.874 -1.139 1.00 0.00 C ATOM 869 CG GLU A 55 9.502 10.027 -1.500 1.00 0.00 C ATOM 870 CD GLU A 55 8.935 10.908 -2.596 1.00 0.00 C ATOM 871 OE1 GLU A 55 8.950 10.479 -3.769 1.00 0.00 O ATOM 872 OE2 GLU A 55 8.479 12.027 -2.281 1.00 0.00 O ATOM 0 HA GLU A 55 8.037 7.931 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.574 8.155 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.560 9.255 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.687 10.632 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.465 9.629 -1.820 1.00 0.00 H new ATOM 879 N LEU A 56 8.911 5.752 -0.239 1.00 0.00 N ATOM 880 CA LEU A 56 9.481 4.440 -0.530 1.00 0.00 C ATOM 881 C LEU A 56 8.708 3.735 -1.639 1.00 0.00 C ATOM 882 O LEU A 56 7.551 4.056 -1.908 1.00 0.00 O ATOM 883 CB LEU A 56 9.498 3.560 0.730 1.00 0.00 C ATOM 884 CG LEU A 56 8.643 4.056 1.906 1.00 0.00 C ATOM 885 CD1 LEU A 56 7.782 2.930 2.460 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.528 4.638 3.001 1.00 0.00 C ATOM 0 H LEU A 56 7.900 5.752 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 56 10.506 4.597 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.160 2.561 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.529 3.466 1.070 1.00 0.00 H new ATOM 0 HG LEU A 56 7.983 4.842 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.185 3.304 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.121 2.559 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.423 2.120 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.906 4.984 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.214 3.871 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.099 5.476 2.601 1.00 0.00 H new ATOM 898 N GLN A 57 9.362 2.768 -2.275 1.00 0.00 N ATOM 899 CA GLN A 57 8.748 2.001 -3.351 1.00 0.00 C ATOM 900 C GLN A 57 8.695 0.523 -2.986 1.00 0.00 C ATOM 901 O GLN A 57 9.632 -0.012 -2.392 1.00 0.00 O ATOM 902 CB GLN A 57 9.529 2.193 -4.653 1.00 0.00 C ATOM 903 CG GLN A 57 9.699 3.650 -5.051 1.00 0.00 C ATOM 904 CD GLN A 57 8.373 4.362 -5.236 1.00 0.00 C ATOM 905 OE1 GLN A 57 7.637 4.092 -6.184 1.00 0.00 O ATOM 906 NE2 GLN A 57 8.062 5.280 -4.328 1.00 0.00 N ATOM 0 H GLN A 57 10.322 2.497 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 57 7.730 2.362 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.513 1.737 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.017 1.663 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.281 4.166 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.270 3.705 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.702 5.472 -3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.183 5.793 -4.401 1.00 0.00 H new ATOM 915 N ILE A 58 7.594 -0.135 -3.335 1.00 0.00 N ATOM 916 CA ILE A 58 7.428 -1.554 -3.031 1.00 0.00 C ATOM 917 C ILE A 58 6.720 -2.285 -4.164 1.00 0.00 C ATOM 918 O ILE A 58 5.743 -1.790 -4.726 1.00 0.00 O ATOM 919 CB ILE A 58 6.642 -1.787 -1.715 1.00 0.00 C ATOM 920 CG1 ILE A 58 5.964 -0.500 -1.222 1.00 0.00 C ATOM 921 CG2 ILE A 58 7.572 -2.347 -0.645 1.00 0.00 C ATOM 922 CD1 ILE A 58 4.472 -0.648 -1.013 1.00 0.00 C ATOM 0 H ILE A 58 6.806 0.288 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 58 8.435 -1.954 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 58 5.853 -2.512 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.426 -0.191 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.145 0.297 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.012 -2.508 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.990 -3.294 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.380 -1.640 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.058 0.298 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.999 -0.927 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.284 -1.422 -0.269 1.00 0.00 H new ATOM 934 N TYR A 59 7.215 -3.475 -4.488 1.00 0.00 N ATOM 935 CA TYR A 59 6.630 -4.289 -5.548 1.00 0.00 C ATOM 936 C TYR A 59 5.542 -5.193 -4.984 1.00 0.00 C ATOM 937 O TYR A 59 5.790 -6.355 -4.658 1.00 0.00 O ATOM 938 CB TYR A 59 7.712 -5.129 -6.230 1.00 0.00 C ATOM 939 CG TYR A 59 8.678 -4.315 -7.060 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.272 -3.719 -8.247 1.00 0.00 C ATOM 941 CD2 TYR A 59 9.996 -4.140 -6.654 1.00 0.00 C ATOM 942 CE1 TYR A 59 9.151 -2.973 -9.008 1.00 0.00 C ATOM 943 CE2 TYR A 59 10.880 -3.396 -7.410 1.00 0.00 C ATOM 944 CZ TYR A 59 10.454 -2.815 -8.585 1.00 0.00 C ATOM 945 OH TYR A 59 11.333 -2.072 -9.340 1.00 0.00 O ATOM 0 H TYR A 59 8.022 -3.898 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 59 6.183 -3.625 -6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.270 -5.674 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.234 -5.872 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.252 -3.841 -8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.334 -4.593 -5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.820 -2.516 -9.929 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.901 -3.270 -7.082 1.00 0.00 H new ATOM 0 HH TYR A 59 12.210 -2.058 -8.902 1.00 0.00 H new ATOM 955 N THR A 60 4.336 -4.649 -4.861 1.00 0.00 N ATOM 956 CA THR A 60 3.210 -5.400 -4.323 1.00 0.00 C ATOM 957 C THR A 60 2.109 -5.574 -5.363 1.00 0.00 C ATOM 958 O THR A 60 2.258 -5.175 -6.518 1.00 0.00 O ATOM 959 CB THR A 60 2.656 -4.701 -3.085 1.00 0.00 C ATOM 960 OG1 THR A 60 1.665 -5.500 -2.460 1.00 0.00 O ATOM 961 CG2 THR A 60 2.040 -3.350 -3.381 1.00 0.00 C ATOM 0 H THR A 60 4.114 -3.690 -5.127 1.00 0.00 H new ATOM 0 HA THR A 60 3.570 -6.391 -4.046 1.00 0.00 H new ATOM 0 HB THR A 60 3.515 -4.552 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.924 -4.931 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.667 -2.910 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.794 -2.694 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.216 -3.472 -4.083 1.00 0.00 H new ATOM 969 N TRP A 61 1.008 -6.193 -4.946 1.00 0.00 N ATOM 970 CA TRP A 61 -0.112 -6.436 -5.848 1.00 0.00 C ATOM 971 C TRP A 61 -1.428 -5.902 -5.296 1.00 0.00 C ATOM 972 O TRP A 61 -1.878 -6.293 -4.220 1.00 0.00 O ATOM 973 CB TRP A 61 -0.244 -7.926 -6.145 1.00 0.00 C ATOM 974 CG TRP A 61 -0.269 -8.782 -4.920 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.361 -9.374 -4.355 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.852 -9.148 -4.110 1.00 0.00 C ATOM 977 NE1 TRP A 61 -0.988 -10.090 -3.243 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.367 -9.966 -3.073 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.219 -8.864 -4.163 1.00 0.00 C ATOM 980 CZ2 TRP A 61 1.205 -10.504 -2.097 1.00 0.00 C ATOM 981 CZ3 TRP A 61 3.047 -9.396 -3.195 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.539 -10.209 -2.174 1.00 0.00 C ATOM 0 H TRP A 61 0.868 -6.533 -3.995 1.00 0.00 H new ATOM 0 HA TRP A 61 0.102 -5.896 -6.770 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.158 -8.095 -6.714 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.587 -8.237 -6.778 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.371 -9.292 -4.728 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.616 -10.625 -2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.621 -8.239 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.815 -11.131 -1.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.105 -9.182 -3.226 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.214 -10.611 -1.433 1.00 0.00 H new ATOM 993 N MET A 62 -2.028 -4.996 -6.059 1.00 0.00 N ATOM 994 CA MET A 62 -3.307 -4.361 -5.703 1.00 0.00 C ATOM 995 C MET A 62 -4.225 -5.286 -4.894 1.00 0.00 C ATOM 996 O MET A 62 -4.956 -4.829 -4.015 1.00 0.00 O ATOM 997 CB MET A 62 -4.039 -3.902 -6.970 1.00 0.00 C ATOM 998 CG MET A 62 -3.545 -2.572 -7.513 1.00 0.00 C ATOM 999 SD MET A 62 -3.951 -1.188 -6.431 1.00 0.00 S ATOM 1000 CE MET A 62 -2.359 -0.377 -6.308 1.00 0.00 C ATOM 0 H MET A 62 -1.645 -4.674 -6.948 1.00 0.00 H new ATOM 0 HA MET A 62 -3.066 -3.505 -5.073 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.925 -4.664 -7.741 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.105 -3.823 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.464 -2.618 -7.648 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.982 -2.400 -8.496 1.00 0.00 H new ATOM 0 HE1 MET A 62 -2.499 0.704 -6.322 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.873 -0.668 -5.376 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.734 -0.673 -7.151 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.187 -6.583 -5.195 1.00 0.00 N ATOM 1011 CA ASP A 63 -5.019 -7.560 -4.492 1.00 0.00 C ATOM 1012 C ASP A 63 -4.318 -8.117 -3.250 1.00 0.00 C ATOM 1013 O ASP A 63 -4.549 -9.263 -2.862 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.393 -8.707 -5.432 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.549 -8.349 -6.347 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -6.550 -7.224 -6.890 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.451 -9.194 -6.523 1.00 0.00 O ATOM 0 H ASP A 63 -3.590 -6.982 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.922 -7.045 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.526 -8.977 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.658 -9.585 -4.843 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.462 -7.310 -2.632 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.730 -7.731 -1.440 1.00 0.00 C ATOM 1024 C ALA A 64 -3.477 -7.361 -0.164 1.00 0.00 C ATOM 1025 O ALA A 64 -4.160 -6.338 -0.107 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.342 -7.108 -1.426 1.00 0.00 C ATOM 0 H ALA A 64 -3.257 -6.358 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.639 -8.817 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.808 -7.430 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.792 -7.425 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.431 -6.022 -1.424 1.00 0.00 H new ATOM 1032 N THR A 65 -3.326 -8.189 0.865 1.00 0.00 N ATOM 1033 CA THR A 65 -3.969 -7.935 2.148 1.00 0.00 C ATOM 1034 C THR A 65 -3.176 -6.886 2.921 1.00 0.00 C ATOM 1035 O THR A 65 -1.983 -6.705 2.683 1.00 0.00 O ATOM 1036 CB THR A 65 -4.075 -9.228 2.964 1.00 0.00 C ATOM 1037 OG1 THR A 65 -3.227 -10.231 2.432 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.479 -9.789 3.015 1.00 0.00 C ATOM 0 H THR A 65 -2.765 -9.040 0.835 1.00 0.00 H new ATOM 0 HA THR A 65 -4.977 -7.562 1.968 1.00 0.00 H new ATOM 0 HB THR A 65 -3.774 -8.956 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.293 -9.941 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.484 -10.704 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.147 -9.058 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.819 -10.010 2.003 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.837 -6.195 3.850 1.00 0.00 N ATOM 1047 CA LEU A 66 -3.170 -5.167 4.647 1.00 0.00 C ATOM 1048 C LEU A 66 -1.859 -5.696 5.222 1.00 0.00 C ATOM 1049 O LEU A 66 -0.899 -4.947 5.403 1.00 0.00 O ATOM 1050 CB LEU A 66 -4.082 -4.682 5.773 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.803 -3.364 5.493 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -5.708 -2.994 6.656 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -3.797 -2.253 5.220 1.00 0.00 C ATOM 0 H LEU A 66 -4.825 -6.327 4.068 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.947 -4.324 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.827 -5.452 5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.487 -4.569 6.680 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.422 -3.491 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.213 -2.053 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.450 -3.779 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.111 -2.885 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.328 -1.322 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.151 -2.125 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.191 -2.516 4.353 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.829 -6.995 5.494 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.638 -7.632 6.035 1.00 0.00 C ATOM 1067 C LYS A 67 0.524 -7.522 5.052 1.00 0.00 C ATOM 1068 O LYS A 67 1.613 -7.081 5.415 1.00 0.00 O ATOM 1069 CB LYS A 67 -0.915 -9.100 6.359 1.00 0.00 C ATOM 1070 CG LYS A 67 0.030 -9.681 7.400 1.00 0.00 C ATOM 1071 CD LYS A 67 0.063 -11.200 7.336 1.00 0.00 C ATOM 1072 CE LYS A 67 1.108 -11.696 6.348 1.00 0.00 C ATOM 1073 NZ LYS A 67 0.527 -12.624 5.340 1.00 0.00 N ATOM 0 H LYS A 67 -2.617 -7.627 5.348 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.365 -7.116 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.940 -9.198 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.839 -9.686 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.034 -9.287 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.284 -9.364 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.278 -11.602 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.919 -11.574 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.559 -10.844 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.907 -12.203 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.184 -13.413 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.378 -12.996 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.369 -12.113 4.448 1.00 0.00 H new ATOM 1087 N GLU A 68 0.292 -7.926 3.801 1.00 0.00 N ATOM 1088 CA GLU A 68 1.324 -7.867 2.778 1.00 0.00 C ATOM 1089 C GLU A 68 1.964 -6.490 2.712 1.00 0.00 C ATOM 1090 O GLU A 68 3.182 -6.372 2.582 1.00 0.00 O ATOM 1091 CB GLU A 68 0.722 -8.208 1.418 1.00 0.00 C ATOM 1092 CG GLU A 68 0.796 -9.681 1.067 1.00 0.00 C ATOM 1093 CD GLU A 68 0.008 -10.550 2.027 1.00 0.00 C ATOM 1094 OE1 GLU A 68 0.424 -10.668 3.200 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -1.024 -11.113 1.607 1.00 0.00 O ATOM 0 H GLU A 68 -0.602 -8.296 3.478 1.00 0.00 H new ATOM 0 HA GLU A 68 2.095 -8.592 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.321 -7.893 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.239 -7.634 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.418 -9.829 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.839 -9.999 1.068 1.00 0.00 H new ATOM 1102 N LEU A 69 1.145 -5.446 2.824 1.00 0.00 N ATOM 1103 CA LEU A 69 1.650 -4.085 2.778 1.00 0.00 C ATOM 1104 C LEU A 69 2.472 -3.781 4.023 1.00 0.00 C ATOM 1105 O LEU A 69 3.360 -2.930 4.000 1.00 0.00 O ATOM 1106 CB LEU A 69 0.496 -3.084 2.635 1.00 0.00 C ATOM 1107 CG LEU A 69 -0.469 -3.333 1.461 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.246 -3.970 0.276 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.635 -4.197 1.909 1.00 0.00 C ATOM 0 H LEU A 69 0.135 -5.521 2.946 1.00 0.00 H new ATOM 0 HA LEU A 69 2.296 -3.987 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.080 -3.088 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.918 -2.085 2.527 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.853 -2.367 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.465 -4.132 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.042 -3.309 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.673 -4.926 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.308 -4.364 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.260 -5.155 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.174 -3.693 2.711 1.00 0.00 H new ATOM 1121 N THR A 70 2.182 -4.495 5.110 1.00 0.00 N ATOM 1122 CA THR A 70 2.910 -4.307 6.357 1.00 0.00 C ATOM 1123 C THR A 70 4.373 -4.698 6.176 1.00 0.00 C ATOM 1124 O THR A 70 5.269 -4.072 6.737 1.00 0.00 O ATOM 1125 CB THR A 70 2.277 -5.134 7.481 1.00 0.00 C ATOM 1126 OG1 THR A 70 0.929 -4.752 7.686 1.00 0.00 O ATOM 1127 CG2 THR A 70 2.999 -4.999 8.805 1.00 0.00 C ATOM 0 H THR A 70 1.451 -5.205 5.149 1.00 0.00 H new ATOM 0 HA THR A 70 2.857 -3.254 6.632 1.00 0.00 H new ATOM 0 HB THR A 70 2.349 -6.171 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.898 -3.949 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.499 -5.610 9.556 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.030 -5.334 8.693 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.989 -3.956 9.120 1.00 0.00 H new ATOM 1135 N SER A 71 4.612 -5.732 5.379 1.00 0.00 N ATOM 1136 CA SER A 71 5.974 -6.193 5.121 1.00 0.00 C ATOM 1137 C SER A 71 6.681 -5.238 4.164 1.00 0.00 C ATOM 1138 O SER A 71 7.868 -4.952 4.317 1.00 0.00 O ATOM 1139 CB SER A 71 5.959 -7.606 4.538 1.00 0.00 C ATOM 1140 OG SER A 71 7.042 -8.373 5.035 1.00 0.00 O ATOM 0 H SER A 71 3.886 -6.266 4.901 1.00 0.00 H new ATOM 0 HA SER A 71 6.518 -6.212 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.018 -8.096 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.014 -7.555 3.451 1.00 0.00 H new ATOM 0 HG SER A 71 7.010 -9.273 4.649 1.00 0.00 H new ATOM 1146 N LEU A 72 5.931 -4.743 3.184 1.00 0.00 N ATOM 1147 CA LEU A 72 6.459 -3.808 2.194 1.00 0.00 C ATOM 1148 C LEU A 72 7.247 -2.686 2.867 1.00 0.00 C ATOM 1149 O LEU A 72 8.412 -2.449 2.544 1.00 0.00 O ATOM 1150 CB LEU A 72 5.302 -3.226 1.381 1.00 0.00 C ATOM 1151 CG LEU A 72 4.515 -4.252 0.562 1.00 0.00 C ATOM 1152 CD1 LEU A 72 3.391 -3.576 -0.203 1.00 0.00 C ATOM 1153 CD2 LEU A 72 5.431 -5.003 -0.393 1.00 0.00 C ATOM 0 H LEU A 72 4.947 -4.976 3.053 1.00 0.00 H new ATOM 0 HA LEU A 72 7.139 -4.344 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.616 -2.721 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.697 -2.467 0.705 1.00 0.00 H new ATOM 0 HG LEU A 72 4.079 -4.973 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.843 -4.322 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.713 -3.090 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.808 -2.830 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.848 -5.726 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.902 -4.297 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.200 -5.525 0.176 1.00 0.00 H new ATOM 1165 N VAL A 73 6.607 -2.006 3.810 1.00 0.00 N ATOM 1166 CA VAL A 73 7.251 -0.916 4.529 1.00 0.00 C ATOM 1167 C VAL A 73 8.432 -1.421 5.354 1.00 0.00 C ATOM 1168 O VAL A 73 9.487 -0.791 5.392 1.00 0.00 O ATOM 1169 CB VAL A 73 6.259 -0.191 5.464 1.00 0.00 C ATOM 1170 CG1 VAL A 73 6.943 0.957 6.195 1.00 0.00 C ATOM 1171 CG2 VAL A 73 5.059 0.312 4.676 1.00 0.00 C ATOM 0 H VAL A 73 5.645 -2.190 4.094 1.00 0.00 H new ATOM 0 HA VAL A 73 7.610 -0.213 3.777 1.00 0.00 H new ATOM 0 HB VAL A 73 5.908 -0.904 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.224 1.453 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.768 0.568 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.327 1.673 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.369 0.821 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.394 1.008 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.552 -0.531 4.207 1.00 0.00 H new ATOM 1181 N LYS A 74 8.243 -2.551 6.027 1.00 0.00 N ATOM 1182 CA LYS A 74 9.291 -3.126 6.865 1.00 0.00 C ATOM 1183 C LYS A 74 10.565 -3.414 6.076 1.00 0.00 C ATOM 1184 O LYS A 74 11.665 -3.085 6.523 1.00 0.00 O ATOM 1185 CB LYS A 74 8.784 -4.400 7.539 1.00 0.00 C ATOM 1186 CG LYS A 74 7.927 -4.131 8.769 1.00 0.00 C ATOM 1187 CD LYS A 74 7.054 -2.898 8.582 1.00 0.00 C ATOM 1188 CE LYS A 74 6.329 -2.526 9.864 1.00 0.00 C ATOM 1189 NZ LYS A 74 5.985 -1.078 9.906 1.00 0.00 N ATOM 0 H LYS A 74 7.375 -3.087 6.009 1.00 0.00 H new ATOM 0 HA LYS A 74 9.543 -2.389 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.203 -4.977 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.637 -5.015 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.297 -4.997 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.570 -3.995 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.671 -2.061 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.326 -3.083 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.418 -3.118 9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.955 -2.776 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.483 -0.626 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.272 -0.627 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.959 -0.969 10.034 1.00 0.00 H new ATOM 1203 N GLU A 75 10.421 -4.029 4.909 1.00 0.00 N ATOM 1204 CA GLU A 75 11.577 -4.353 4.081 1.00 0.00 C ATOM 1205 C GLU A 75 12.270 -3.087 3.586 1.00 0.00 C ATOM 1206 O GLU A 75 13.474 -3.090 3.326 1.00 0.00 O ATOM 1207 CB GLU A 75 11.163 -5.221 2.892 1.00 0.00 C ATOM 1208 CG GLU A 75 12.137 -6.350 2.596 1.00 0.00 C ATOM 1209 CD GLU A 75 13.305 -5.904 1.738 1.00 0.00 C ATOM 1210 OE1 GLU A 75 14.310 -5.426 2.306 1.00 0.00 O ATOM 1211 OE2 GLU A 75 13.215 -6.036 0.500 1.00 0.00 O ATOM 0 H GLU A 75 9.523 -4.312 4.516 1.00 0.00 H new ATOM 0 HA GLU A 75 12.280 -4.912 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.178 -5.644 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.070 -4.591 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.515 -6.754 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.608 -7.158 2.091 1.00 0.00 H new ATOM 1218 N VAL A 76 11.508 -2.005 3.458 1.00 0.00 N ATOM 1219 CA VAL A 76 12.066 -0.736 2.991 1.00 0.00 C ATOM 1220 C VAL A 76 12.317 0.224 4.152 1.00 0.00 C ATOM 1221 O VAL A 76 12.692 1.378 3.946 1.00 0.00 O ATOM 1222 CB VAL A 76 11.138 -0.055 1.961 1.00 0.00 C ATOM 1223 CG1 VAL A 76 10.574 -1.080 0.991 1.00 0.00 C ATOM 1224 CG2 VAL A 76 10.009 0.700 2.650 1.00 0.00 C ATOM 0 H VAL A 76 10.510 -1.979 3.669 1.00 0.00 H new ATOM 0 HA VAL A 76 13.016 -0.971 2.512 1.00 0.00 H new ATOM 0 HB VAL A 76 11.734 0.666 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.923 -0.582 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.392 -1.568 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.002 -1.827 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.373 1.168 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.416 0.005 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.428 1.468 3.300 1.00 0.00 H new ATOM 1234 N TYR A 77 12.096 -0.255 5.370 1.00 0.00 N ATOM 1235 CA TYR A 77 12.282 0.563 6.557 1.00 0.00 C ATOM 1236 C TYR A 77 12.706 -0.300 7.746 1.00 0.00 C ATOM 1237 O TYR A 77 11.909 -1.075 8.274 1.00 0.00 O ATOM 1238 CB TYR A 77 10.984 1.309 6.868 1.00 0.00 C ATOM 1239 CG TYR A 77 11.168 2.794 7.086 1.00 0.00 C ATOM 1240 CD1 TYR A 77 11.708 3.282 8.269 1.00 0.00 C ATOM 1241 CD2 TYR A 77 10.805 3.706 6.104 1.00 0.00 C ATOM 1242 CE1 TYR A 77 11.878 4.640 8.468 1.00 0.00 C ATOM 1243 CE2 TYR A 77 10.972 5.065 6.295 1.00 0.00 C ATOM 1244 CZ TYR A 77 11.509 5.525 7.478 1.00 0.00 C ATOM 1245 OH TYR A 77 11.678 6.878 7.672 1.00 0.00 O ATOM 0 H TYR A 77 11.787 -1.208 5.560 1.00 0.00 H new ATOM 0 HA TYR A 77 13.075 1.287 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.283 1.156 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.531 0.874 7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.000 2.590 9.045 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.385 3.348 5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.298 5.005 9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.683 5.762 5.522 1.00 0.00 H new ATOM 0 HH TYR A 77 11.369 7.363 6.879 1.00 0.00 H new ATOM 1255 N PRO A 78 13.975 -0.186 8.176 1.00 0.00 N ATOM 1256 CA PRO A 78 14.503 -0.970 9.298 1.00 0.00 C ATOM 1257 C PRO A 78 13.797 -0.667 10.618 1.00 0.00 C ATOM 1258 O PRO A 78 13.359 -1.578 11.322 1.00 0.00 O ATOM 1259 CB PRO A 78 15.976 -0.551 9.375 1.00 0.00 C ATOM 1260 CG PRO A 78 16.050 0.755 8.663 1.00 0.00 C ATOM 1261 CD PRO A 78 14.998 0.704 7.597 1.00 0.00 C ATOM 0 HA PRO A 78 14.356 -2.038 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.304 -0.454 10.410 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.621 -1.293 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.871 1.584 9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.038 0.907 8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.595 1.694 7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.392 0.309 6.661 1.00 0.00 H new ATOM 1269 N GLU A 79 13.698 0.616 10.953 1.00 0.00 N ATOM 1270 CA GLU A 79 13.056 1.038 12.195 1.00 0.00 C ATOM 1271 C GLU A 79 11.629 0.498 12.305 1.00 0.00 C ATOM 1272 O GLU A 79 11.080 0.396 13.401 1.00 0.00 O ATOM 1273 CB GLU A 79 13.036 2.565 12.288 1.00 0.00 C ATOM 1274 CG GLU A 79 14.383 3.210 12.011 1.00 0.00 C ATOM 1275 CD GLU A 79 14.404 4.685 12.361 1.00 0.00 C ATOM 1276 OE1 GLU A 79 14.633 5.011 13.545 1.00 0.00 O ATOM 1277 OE2 GLU A 79 14.194 5.513 11.451 1.00 0.00 O ATOM 0 H GLU A 79 14.054 1.382 10.382 1.00 0.00 H new ATOM 0 HA GLU A 79 13.638 0.628 13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.304 2.954 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.702 2.855 13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.154 2.693 12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.631 3.087 10.957 1.00 0.00 H new ATOM 1284 N ALA A 80 11.033 0.165 11.165 1.00 0.00 N ATOM 1285 CA ALA A 80 9.669 -0.351 11.143 1.00 0.00 C ATOM 1286 C ALA A 80 9.590 -1.773 11.693 1.00 0.00 C ATOM 1287 O ALA A 80 8.583 -2.163 12.283 1.00 0.00 O ATOM 1288 CB ALA A 80 9.120 -0.309 9.729 1.00 0.00 C ATOM 0 H ALA A 80 11.471 0.243 10.247 1.00 0.00 H new ATOM 0 HA ALA A 80 9.064 0.286 11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.101 -0.696 9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.119 0.720 9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.745 -0.921 9.078 1.00 0.00 H new ATOM 1294 N ARG A 81 10.653 -2.547 11.492 1.00 0.00 N ATOM 1295 CA ARG A 81 10.694 -3.928 11.965 1.00 0.00 C ATOM 1296 C ARG A 81 10.469 -4.013 13.476 1.00 0.00 C ATOM 1297 O ARG A 81 10.177 -5.085 14.004 1.00 0.00 O ATOM 1298 CB ARG A 81 12.033 -4.574 11.598 1.00 0.00 C ATOM 1299 CG ARG A 81 11.895 -5.976 11.027 1.00 0.00 C ATOM 1300 CD ARG A 81 11.317 -5.953 9.621 1.00 0.00 C ATOM 1301 NE ARG A 81 11.628 -7.175 8.881 1.00 0.00 N ATOM 1302 CZ ARG A 81 10.726 -7.902 8.220 1.00 0.00 C ATOM 1303 NH1 ARG A 81 9.448 -7.542 8.196 1.00 0.00 N ATOM 1304 NH2 ARG A 81 11.105 -8.998 7.576 1.00 0.00 N ATOM 0 H ARG A 81 11.496 -2.242 11.006 1.00 0.00 H new ATOM 0 HA ARG A 81 9.885 -4.470 11.475 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.544 -3.943 10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.664 -4.613 12.486 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.871 -6.461 11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.253 -6.572 11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.236 -5.828 9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.711 -5.092 9.081 1.00 0.00 H new ATOM 0 HE ARG A 81 12.597 -7.492 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.146 -6.700 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.768 -8.107 7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.084 -9.283 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.417 -9.556 7.070 1.00 0.00 H new ATOM 1318 N LYS A 82 10.604 -2.883 14.168 1.00 0.00 N ATOM 1319 CA LYS A 82 10.415 -2.847 15.613 1.00 0.00 C ATOM 1320 C LYS A 82 9.021 -3.333 15.994 1.00 0.00 C ATOM 1321 O LYS A 82 8.031 -2.981 15.351 1.00 0.00 O ATOM 1322 CB LYS A 82 10.632 -1.426 16.138 1.00 0.00 C ATOM 1323 CG LYS A 82 12.075 -1.132 16.512 1.00 0.00 C ATOM 1324 CD LYS A 82 12.411 -1.657 17.899 1.00 0.00 C ATOM 1325 CE LYS A 82 13.765 -2.347 17.921 1.00 0.00 C ATOM 1326 NZ LYS A 82 13.662 -3.782 17.535 1.00 0.00 N ATOM 0 H LYS A 82 10.843 -1.983 13.751 1.00 0.00 H new ATOM 0 HA LYS A 82 11.148 -3.514 16.067 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.309 -0.713 15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.999 -1.269 17.012 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.741 -1.586 15.779 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.249 -0.056 16.477 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.410 -0.832 18.611 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.640 -2.357 18.221 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.445 -1.835 17.239 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.196 -2.269 18.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.606 -4.217 17.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.034 -4.276 18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.274 -3.856 16.573 1.00 0.00 H new ATOM 1340 N LYS A 83 8.950 -4.145 17.044 1.00 0.00 N ATOM 1341 CA LYS A 83 7.678 -4.681 17.512 1.00 0.00 C ATOM 1342 C LYS A 83 6.875 -3.612 18.247 1.00 0.00 C ATOM 1343 O LYS A 83 7.425 -2.838 19.031 1.00 0.00 O ATOM 1344 CB LYS A 83 7.914 -5.880 18.432 1.00 0.00 C ATOM 1345 CG LYS A 83 6.850 -6.958 18.311 1.00 0.00 C ATOM 1346 CD LYS A 83 5.687 -6.704 19.256 1.00 0.00 C ATOM 1347 CE LYS A 83 5.924 -7.336 20.619 1.00 0.00 C ATOM 1348 NZ LYS A 83 6.150 -6.312 21.677 1.00 0.00 N ATOM 0 H LYS A 83 9.759 -4.446 17.587 1.00 0.00 H new ATOM 0 HA LYS A 83 7.107 -5.006 16.642 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.887 -6.315 18.206 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.952 -5.533 19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.484 -6.996 17.285 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.291 -7.931 18.528 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.540 -5.630 19.373 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.771 -7.105 18.823 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.065 -7.951 20.888 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.787 -7.999 20.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.307 -6.785 22.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.985 -5.741 21.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.316 -5.694 21.746 1.00 0.00 H new ATOM 1362 N GLY A 84 5.572 -3.575 17.988 1.00 0.00 N ATOM 1363 CA GLY A 84 4.715 -2.599 18.635 1.00 0.00 C ATOM 1364 C GLY A 84 4.432 -1.391 17.759 1.00 0.00 C ATOM 1365 O GLY A 84 3.672 -0.505 18.147 1.00 0.00 O ATOM 0 H GLY A 84 5.094 -4.203 17.342 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.772 -3.074 18.907 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.184 -2.268 19.562 1.00 0.00 H new ATOM 1369 N THR A 85 5.046 -1.347 16.579 1.00 0.00 N ATOM 1370 CA THR A 85 4.849 -0.232 15.660 1.00 0.00 C ATOM 1371 C THR A 85 3.439 -0.244 15.071 1.00 0.00 C ATOM 1372 O THR A 85 3.049 -1.185 14.382 1.00 0.00 O ATOM 1373 CB THR A 85 5.888 -0.283 14.539 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.200 -0.247 15.070 1.00 0.00 O ATOM 1375 CG2 THR A 85 5.761 0.858 13.551 1.00 0.00 C ATOM 0 H THR A 85 5.682 -2.068 16.239 1.00 0.00 H new ATOM 0 HA THR A 85 4.973 0.694 16.221 1.00 0.00 H new ATOM 0 HB THR A 85 5.700 -1.219 14.014 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.531 -1.162 15.187 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.528 0.761 12.783 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.776 0.829 13.086 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.888 1.807 14.072 1.00 0.00 H new ATOM 1383 N HIS A 86 2.683 0.814 15.350 1.00 0.00 N ATOM 1384 CA HIS A 86 1.316 0.943 14.852 1.00 0.00 C ATOM 1385 C HIS A 86 1.259 1.922 13.682 1.00 0.00 C ATOM 1386 O HIS A 86 1.518 3.113 13.849 1.00 0.00 O ATOM 1387 CB HIS A 86 0.390 1.420 15.973 1.00 0.00 C ATOM 1388 CG HIS A 86 -1.058 1.154 15.711 1.00 0.00 C ATOM 1389 ND1 HIS A 86 -1.962 2.147 15.396 1.00 0.00 N ATOM 1390 CD2 HIS A 86 -1.761 -0.003 15.721 1.00 0.00 C ATOM 1391 CE1 HIS A 86 -3.158 1.612 15.226 1.00 0.00 C ATOM 1392 NE2 HIS A 86 -3.064 0.309 15.416 1.00 0.00 N ATOM 0 H HIS A 86 2.996 1.599 15.922 1.00 0.00 H new ATOM 0 HA HIS A 86 0.984 -0.035 14.505 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.678 0.930 16.903 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.533 2.491 16.119 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.370 -0.988 15.930 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.060 2.150 14.974 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.833 -0.357 15.348 1.00 0.00 H new ATOM 1400 N PHE A 87 0.930 1.414 12.495 1.00 0.00 N ATOM 1401 CA PHE A 87 0.860 2.260 11.303 1.00 0.00 C ATOM 1402 C PHE A 87 -0.544 2.285 10.706 1.00 0.00 C ATOM 1403 O PHE A 87 -1.166 1.244 10.501 1.00 0.00 O ATOM 1404 CB PHE A 87 1.870 1.795 10.247 1.00 0.00 C ATOM 1405 CG PHE A 87 2.416 0.420 10.495 1.00 0.00 C ATOM 1406 CD1 PHE A 87 3.278 0.185 11.553 1.00 0.00 C ATOM 1407 CD2 PHE A 87 2.064 -0.638 9.675 1.00 0.00 C ATOM 1408 CE1 PHE A 87 3.777 -1.078 11.790 1.00 0.00 C ATOM 1409 CE2 PHE A 87 2.562 -1.905 9.907 1.00 0.00 C ATOM 1410 CZ PHE A 87 3.419 -2.125 10.968 1.00 0.00 C ATOM 0 H PHE A 87 0.710 0.431 12.333 1.00 0.00 H new ATOM 0 HA PHE A 87 1.111 3.274 11.614 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.392 1.815 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.698 2.504 10.212 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.563 1.001 12.200 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.393 -0.471 8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.448 -1.247 12.619 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.282 -2.723 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.808 -3.115 11.153 1.00 0.00 H new ATOM 1420 N ASN A 88 -1.028 3.493 10.422 1.00 0.00 N ATOM 1421 CA ASN A 88 -2.354 3.682 9.842 1.00 0.00 C ATOM 1422 C ASN A 88 -2.265 3.918 8.335 1.00 0.00 C ATOM 1423 O ASN A 88 -1.561 4.818 7.879 1.00 0.00 O ATOM 1424 CB ASN A 88 -3.057 4.869 10.513 1.00 0.00 C ATOM 1425 CG ASN A 88 -4.346 4.472 11.205 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -5.213 3.833 10.611 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -4.478 4.850 12.470 1.00 0.00 N ATOM 0 H ASN A 88 -0.517 4.360 10.586 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.932 2.774 10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.383 5.321 11.241 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.272 5.630 9.763 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.324 4.611 12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.734 5.379 12.924 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.986 3.104 7.568 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.991 3.227 6.114 1.00 0.00 C ATOM 1436 C PHE A 89 -4.104 4.159 5.648 1.00 0.00 C ATOM 1437 O PHE A 89 -5.261 4.016 6.054 1.00 0.00 O ATOM 1438 CB PHE A 89 -3.165 1.857 5.455 1.00 0.00 C ATOM 1439 CG PHE A 89 -2.114 0.862 5.846 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -2.283 0.069 6.965 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -0.958 0.718 5.095 1.00 0.00 C ATOM 1442 CE1 PHE A 89 -1.327 -0.848 7.333 1.00 0.00 C ATOM 1443 CE2 PHE A 89 0.009 -0.201 5.459 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.177 -0.986 6.581 1.00 0.00 C ATOM 0 H PHE A 89 -3.574 2.353 7.929 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.031 3.648 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.145 1.459 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.151 1.980 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.179 0.171 7.559 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.811 1.329 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.475 -1.460 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.907 -0.305 4.868 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.575 -1.706 6.869 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.736 5.108 4.790 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.682 6.076 4.247 1.00 0.00 C ATOM 1456 C ALA A 90 -4.222 6.569 2.880 1.00 0.00 C ATOM 1457 O ALA A 90 -3.035 6.520 2.561 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.845 7.247 5.206 1.00 0.00 C ATOM 0 H ALA A 90 -2.780 5.226 4.454 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.648 5.585 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.554 7.963 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.217 6.884 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.881 7.734 5.352 1.00 0.00 H new ATOM 1464 N ILE A 91 -5.165 7.043 2.071 1.00 0.00 N ATOM 1465 CA ILE A 91 -4.847 7.540 0.737 1.00 0.00 C ATOM 1466 C ILE A 91 -4.952 9.060 0.676 1.00 0.00 C ATOM 1467 O ILE A 91 -5.984 9.631 1.033 1.00 0.00 O ATOM 1468 CB ILE A 91 -5.782 6.934 -0.328 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -5.920 5.422 -0.119 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -5.265 7.241 -1.727 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -7.325 4.989 0.236 1.00 0.00 C ATOM 0 H ILE A 91 -6.154 7.093 2.316 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.821 7.238 0.526 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.769 7.385 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.608 4.907 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.240 5.109 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.937 6.806 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.219 8.321 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.268 6.816 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.350 3.907 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.633 5.476 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.006 5.271 -0.567 1.00 0.00 H new ATOM 1483 N VAL A 92 -3.880 9.707 0.217 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.850 11.165 0.104 1.00 0.00 C ATOM 1485 C VAL A 92 -3.272 11.598 -1.243 1.00 0.00 C ATOM 1486 O VAL A 92 -2.597 10.820 -1.915 1.00 0.00 O ATOM 1487 CB VAL A 92 -3.028 11.808 1.246 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -1.624 11.231 1.297 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -2.979 13.323 1.097 1.00 0.00 C ATOM 0 H VAL A 92 -3.022 9.244 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.881 11.510 0.180 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.527 11.575 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.067 11.700 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.678 10.156 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.117 11.423 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.395 13.750 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.515 13.580 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.992 13.724 1.127 1.00 0.00 H new ATOM 1673 N VAL A 103 -8.882 12.654 1.378 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.932 11.740 2.001 1.00 0.00 C ATOM 1675 C VAL A 103 -8.572 11.060 3.205 1.00 0.00 C ATOM 1676 O VAL A 103 -9.248 11.707 4.006 1.00 0.00 O ATOM 1677 CB VAL A 103 -6.645 12.478 2.444 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -6.995 13.721 3.249 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -5.720 11.558 3.238 1.00 0.00 C ATOM 0 HA VAL A 103 -7.658 10.989 1.260 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.109 12.787 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.079 14.228 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.596 14.394 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.561 13.433 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.826 12.108 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.238 11.202 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.435 10.707 2.619 1.00 0.00 H new ATOM 1689 N LYS A 104 -8.366 9.754 3.325 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.941 9.003 4.435 1.00 0.00 C ATOM 1691 C LYS A 104 -8.176 7.710 4.690 1.00 0.00 C ATOM 1692 O LYS A 104 -7.484 7.196 3.809 1.00 0.00 O ATOM 1693 CB LYS A 104 -10.414 8.691 4.154 1.00 0.00 C ATOM 1694 CG LYS A 104 -11.380 9.614 4.878 1.00 0.00 C ATOM 1695 CD LYS A 104 -12.647 9.840 4.070 1.00 0.00 C ATOM 1696 CE LYS A 104 -13.154 11.265 4.217 1.00 0.00 C ATOM 1697 NZ LYS A 104 -14.359 11.517 3.378 1.00 0.00 N ATOM 0 H LYS A 104 -7.811 9.197 2.675 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.866 9.621 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.593 8.761 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.621 7.661 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.637 9.186 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.895 10.571 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.452 9.629 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.418 9.143 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.393 11.459 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.364 11.962 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.673 12.500 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.125 11.357 2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.122 10.870 3.663 1.00 0.00 H new ATOM 1711 N GLU A 105 -8.312 7.189 5.905 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.644 5.955 6.295 1.00 0.00 C ATOM 1713 C GLU A 105 -8.580 4.761 6.127 1.00 0.00 C ATOM 1714 O GLU A 105 -9.783 4.866 6.363 1.00 0.00 O ATOM 1715 CB GLU A 105 -7.155 6.067 7.746 1.00 0.00 C ATOM 1716 CG GLU A 105 -6.757 4.743 8.378 1.00 0.00 C ATOM 1717 CD GLU A 105 -7.669 4.343 9.521 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -7.511 4.899 10.628 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -8.540 3.474 9.309 1.00 0.00 O ATOM 0 H GLU A 105 -8.883 7.606 6.640 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.782 5.797 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.300 6.742 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.942 6.521 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.771 3.963 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.732 4.813 8.743 1.00 0.00 H new ATOM 1726 N ILE A 106 -8.021 3.630 5.708 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.809 2.421 5.500 1.00 0.00 C ATOM 1728 C ILE A 106 -8.527 1.367 6.568 1.00 0.00 C ATOM 1729 O ILE A 106 -9.338 0.471 6.790 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.555 1.804 4.108 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.056 1.609 3.864 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.167 2.676 3.021 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -6.470 0.429 4.609 1.00 0.00 C ATOM 0 H ILE A 106 -7.027 3.526 5.506 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.853 2.727 5.570 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.033 0.825 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.884 1.475 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.527 2.515 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -8.979 2.227 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.242 2.757 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.719 3.669 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.405 0.352 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.610 0.570 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.973 -0.486 4.295 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.377 1.474 7.226 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.032 0.510 8.261 1.00 0.00 C ATOM 1747 C GLY A 107 -5.578 0.601 8.670 1.00 0.00 C ATOM 1748 O GLY A 107 -4.760 1.133 7.927 1.00 0.00 O ATOM 0 H GLY A 107 -6.682 2.203 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.664 0.676 9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.243 -0.497 7.901 1.00 0.00 H new ATOM 1752 N SER A 108 -5.258 0.091 9.860 1.00 0.00 N ATOM 1753 CA SER A 108 -3.893 0.132 10.372 1.00 0.00 C ATOM 1754 C SER A 108 -3.407 -1.256 10.781 1.00 0.00 C ATOM 1755 O SER A 108 -4.148 -2.031 11.385 1.00 0.00 O ATOM 1756 CB SER A 108 -3.821 1.069 11.577 1.00 0.00 C ATOM 1757 OG SER A 108 -4.597 0.572 12.654 1.00 0.00 O ATOM 0 H SER A 108 -5.928 -0.355 10.486 1.00 0.00 H new ATOM 0 HA SER A 108 -3.248 0.499 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.784 1.182 11.893 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.177 2.059 11.294 1.00 0.00 H new ATOM 0 HG SER A 108 -4.933 1.322 13.188 1.00 0.00 H new ATOM 1763 N THR A 109 -2.151 -1.553 10.466 1.00 0.00 N ATOM 1764 CA THR A 109 -1.556 -2.838 10.816 1.00 0.00 C ATOM 1765 C THR A 109 -0.446 -2.643 11.842 1.00 0.00 C ATOM 1766 O THR A 109 -0.301 -1.560 12.410 1.00 0.00 O ATOM 1767 CB THR A 109 -1.012 -3.547 9.572 1.00 0.00 C ATOM 1768 OG1 THR A 109 0.061 -2.819 8.998 1.00 0.00 O ATOM 1769 CG2 THR A 109 -2.056 -3.755 8.498 1.00 0.00 C ATOM 0 H THR A 109 -1.524 -0.921 9.968 1.00 0.00 H new ATOM 0 HA THR A 109 -2.333 -3.466 11.252 1.00 0.00 H new ATOM 0 HB THR A 109 -0.676 -4.522 9.924 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.205 -2.487 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.605 -4.262 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.869 -4.364 8.894 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.448 -2.789 8.180 1.00 0.00 H new ATOM 1777 N MET A 110 0.330 -3.691 12.088 1.00 0.00 N ATOM 1778 CA MET A 110 1.415 -3.615 13.057 1.00 0.00 C ATOM 1779 C MET A 110 2.591 -4.493 12.648 1.00 0.00 C ATOM 1780 O MET A 110 2.463 -5.361 11.785 1.00 0.00 O ATOM 1781 CB MET A 110 0.916 -4.037 14.435 1.00 0.00 C ATOM 1782 CG MET A 110 -0.107 -3.091 15.037 1.00 0.00 C ATOM 1783 SD MET A 110 0.042 -2.980 16.829 1.00 0.00 S ATOM 1784 CE MET A 110 1.758 -2.498 16.983 1.00 0.00 C ATOM 0 H MET A 110 0.229 -4.598 11.633 1.00 0.00 H new ATOM 0 HA MET A 110 1.758 -2.581 13.091 1.00 0.00 H new ATOM 0 HB2 MET A 110 0.477 -5.032 14.362 1.00 0.00 H new ATOM 0 HB3 MET A 110 1.768 -4.113 15.111 1.00 0.00 H new ATOM 0 HG2 MET A 110 0.017 -2.099 14.602 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.110 -3.430 14.778 1.00 0.00 H new ATOM 0 HE1 MET A 110 1.931 -2.082 17.975 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.395 -3.370 16.839 1.00 0.00 H new ATOM 0 HE3 MET A 110 1.994 -1.748 16.228 1.00 0.00 H new ATOM 1794 N SER A 111 3.738 -4.256 13.276 1.00 0.00 N ATOM 1795 CA SER A 111 4.945 -5.018 12.984 1.00 0.00 C ATOM 1796 C SER A 111 4.895 -6.394 13.642 1.00 0.00 C ATOM 1797 O SER A 111 5.507 -6.617 14.685 1.00 0.00 O ATOM 1798 CB SER A 111 6.181 -4.257 13.466 1.00 0.00 C ATOM 1799 OG SER A 111 6.300 -3.008 12.809 1.00 0.00 O ATOM 0 H SER A 111 3.856 -3.540 13.993 1.00 0.00 H new ATOM 0 HA SER A 111 5.006 -5.154 11.904 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.118 -4.100 14.543 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.074 -4.854 13.282 1.00 0.00 H new ATOM 0 HG SER A 111 7.139 -2.577 13.075 1.00 0.00 H new ATOM 1805 N GLY A 112 4.161 -7.313 13.024 1.00 0.00 N ATOM 1806 CA GLY A 112 4.048 -8.654 13.564 1.00 0.00 C ATOM 1807 C GLY A 112 2.803 -8.842 14.412 1.00 0.00 C ATOM 1808 O GLY A 112 2.753 -9.731 15.261 1.00 0.00 O ATOM 0 H GLY A 112 3.643 -7.153 12.160 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.035 -9.372 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.929 -8.874 14.166 1.00 0.00 H new ATOM 1812 N ARG A 113 1.796 -8.005 14.179 1.00 0.00 N ATOM 1813 CA ARG A 113 0.547 -8.088 14.928 1.00 0.00 C ATOM 1814 C ARG A 113 -0.646 -8.157 13.980 1.00 0.00 C ATOM 1815 O ARG A 113 -0.981 -7.176 13.314 1.00 0.00 O ATOM 1816 CB ARG A 113 0.408 -6.890 15.870 1.00 0.00 C ATOM 1817 CG ARG A 113 0.382 -7.274 17.340 1.00 0.00 C ATOM 1818 CD ARG A 113 -0.617 -6.435 18.119 1.00 0.00 C ATOM 1819 NE ARG A 113 -0.330 -6.431 19.551 1.00 0.00 N ATOM 1820 CZ ARG A 113 -0.939 -5.636 20.427 1.00 0.00 C ATOM 1821 NH1 ARG A 113 -1.867 -4.778 20.022 1.00 0.00 N ATOM 1822 NH2 ARG A 113 -0.619 -5.697 21.713 1.00 0.00 N ATOM 0 H ARG A 113 1.821 -7.263 13.479 1.00 0.00 H new ATOM 0 HA ARG A 113 0.566 -9.000 15.524 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.237 -6.204 15.697 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.508 -6.351 15.627 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.126 -8.329 17.437 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.377 -7.147 17.768 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.602 -5.412 17.743 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.623 -6.821 17.952 1.00 0.00 H new ATOM 0 HE ARG A 113 0.379 -7.076 19.900 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.117 -4.725 19.034 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.330 -4.171 20.698 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.094 -6.354 22.031 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.086 -5.087 22.384 1.00 0.00 H new ATOM 1836 N LYS A 114 -1.279 -9.324 13.918 1.00 0.00 N ATOM 1837 CA LYS A 114 -2.429 -9.527 13.045 1.00 0.00 C ATOM 1838 C LYS A 114 -3.668 -8.823 13.590 1.00 0.00 C ATOM 1839 O LYS A 114 -4.276 -9.274 14.560 1.00 0.00 O ATOM 1840 CB LYS A 114 -2.712 -11.020 12.878 1.00 0.00 C ATOM 1841 CG LYS A 114 -1.922 -11.667 11.751 1.00 0.00 C ATOM 1842 CD LYS A 114 -0.707 -12.416 12.279 1.00 0.00 C ATOM 1843 CE LYS A 114 0.539 -12.110 11.461 1.00 0.00 C ATOM 1844 NZ LYS A 114 0.986 -13.288 10.668 1.00 0.00 N ATOM 0 H LYS A 114 -1.014 -10.145 14.463 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.190 -9.095 12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.481 -11.532 13.812 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.777 -11.161 12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.565 -12.356 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.600 -10.901 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.535 -12.144 13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.902 -13.488 12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.336 -11.276 10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.342 -11.795 12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.837 -13.038 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.204 -14.076 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.230 -13.573 10.014 1.00 0.00 H new ATOM 1858 N GLY A 115 -4.041 -7.717 12.953 1.00 0.00 N ATOM 1859 CA GLY A 115 -5.210 -6.972 13.381 1.00 0.00 C ATOM 1860 C GLY A 115 -6.465 -7.401 12.646 1.00 0.00 C ATOM 1861 O GLY A 115 -6.495 -8.465 12.029 1.00 0.00 O ATOM 0 H GLY A 115 -3.554 -7.324 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.354 -7.110 14.453 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.041 -5.908 13.216 1.00 0.00 H new ATOM 1865 N THR A 116 -7.502 -6.572 12.709 1.00 0.00 N ATOM 1866 CA THR A 116 -8.761 -6.876 12.041 1.00 0.00 C ATOM 1867 C THR A 116 -8.736 -6.408 10.589 1.00 0.00 C ATOM 1868 O THR A 116 -9.361 -7.015 9.720 1.00 0.00 O ATOM 1869 CB THR A 116 -9.929 -6.218 12.780 1.00 0.00 C ATOM 1870 OG1 THR A 116 -9.615 -4.880 13.124 1.00 0.00 O ATOM 1871 CG2 THR A 116 -10.317 -6.941 14.052 1.00 0.00 C ATOM 0 H THR A 116 -7.495 -5.686 13.215 1.00 0.00 H new ATOM 0 HA THR A 116 -8.895 -7.958 12.053 1.00 0.00 H new ATOM 0 HB THR A 116 -10.769 -6.261 12.087 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.374 -4.476 13.594 1.00 0.00 H new ATOM 0 HG21 THR A 116 -11.150 -6.422 14.526 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.614 -7.962 13.814 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.467 -6.960 14.734 1.00 0.00 H new ATOM 1879 N ASP A 117 -8.010 -5.325 10.336 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.901 -4.773 8.989 1.00 0.00 C ATOM 1881 C ASP A 117 -6.834 -5.509 8.182 1.00 0.00 C ATOM 1882 O ASP A 117 -6.875 -5.526 6.952 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.574 -3.280 9.052 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.434 -2.540 10.057 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -8.106 -2.577 11.262 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -9.437 -1.922 9.641 1.00 0.00 O ATOM 0 H ASP A 117 -7.488 -4.811 11.046 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.861 -4.906 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.524 -3.152 9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.713 -2.839 8.065 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.880 -6.115 8.883 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.800 -6.854 8.234 1.00 0.00 C ATOM 1893 C ASP A 118 -5.344 -7.847 7.207 1.00 0.00 C ATOM 1894 O ASP A 118 -4.742 -8.061 6.156 1.00 0.00 O ATOM 1895 CB ASP A 118 -3.969 -7.598 9.282 1.00 0.00 C ATOM 1896 CG ASP A 118 -2.751 -6.810 9.721 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -2.902 -5.906 10.567 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -1.646 -7.097 9.216 1.00 0.00 O ATOM 0 H ASP A 118 -5.832 -6.109 9.902 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.169 -6.135 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.592 -7.812 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.650 -8.557 8.874 1.00 0.00 H new ATOM 1903 N SER A 119 -6.485 -8.455 7.524 1.00 0.00 N ATOM 1904 CA SER A 119 -7.108 -9.430 6.636 1.00 0.00 C ATOM 1905 C SER A 119 -7.780 -8.761 5.437 1.00 0.00 C ATOM 1906 O SER A 119 -8.227 -9.439 4.512 1.00 0.00 O ATOM 1907 CB SER A 119 -8.132 -10.264 7.405 1.00 0.00 C ATOM 1908 OG SER A 119 -9.125 -9.440 7.989 1.00 0.00 O ATOM 0 H SER A 119 -6.996 -8.288 8.391 1.00 0.00 H new ATOM 0 HA SER A 119 -6.318 -10.078 6.257 1.00 0.00 H new ATOM 0 HB2 SER A 119 -8.600 -10.982 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 119 -7.628 -10.838 8.182 1.00 0.00 H new ATOM 0 HG SER A 119 -9.769 -9.997 8.474 1.00 0.00 H new ATOM 1914 N MET A 120 -7.851 -7.432 5.450 1.00 0.00 N ATOM 1915 CA MET A 120 -8.471 -6.693 4.356 1.00 0.00 C ATOM 1916 C MET A 120 -7.513 -6.576 3.175 1.00 0.00 C ATOM 1917 O MET A 120 -6.300 -6.684 3.341 1.00 0.00 O ATOM 1918 CB MET A 120 -8.896 -5.301 4.828 1.00 0.00 C ATOM 1919 CG MET A 120 -10.330 -4.948 4.464 1.00 0.00 C ATOM 1920 SD MET A 120 -11.052 -3.729 5.580 1.00 0.00 S ATOM 1921 CE MET A 120 -9.715 -2.546 5.713 1.00 0.00 C ATOM 0 H MET A 120 -7.488 -6.848 6.203 1.00 0.00 H new ATOM 0 HA MET A 120 -9.356 -7.241 4.032 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.779 -5.242 5.910 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.226 -4.559 4.394 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.357 -4.562 3.445 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.938 -5.853 4.479 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.451 -2.412 6.762 1.00 0.00 H new ATOM 0 HE2 MET A 120 -8.848 -2.914 5.165 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.031 -1.591 5.293 1.00 0.00 H new ATOM 1931 N THR A 121 -8.063 -6.354 1.984 1.00 0.00 N ATOM 1932 CA THR A 121 -7.249 -6.222 0.779 1.00 0.00 C ATOM 1933 C THR A 121 -7.239 -4.777 0.287 1.00 0.00 C ATOM 1934 O THR A 121 -8.120 -3.989 0.628 1.00 0.00 O ATOM 1935 CB THR A 121 -7.771 -7.151 -0.320 1.00 0.00 C ATOM 1936 OG1 THR A 121 -9.186 -7.214 -0.296 1.00 0.00 O ATOM 1937 CG2 THR A 121 -7.247 -8.568 -0.205 1.00 0.00 C ATOM 0 H THR A 121 -9.067 -6.262 1.828 1.00 0.00 H new ATOM 0 HA THR A 121 -6.226 -6.508 1.025 1.00 0.00 H new ATOM 0 HB THR A 121 -7.411 -6.721 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.499 -7.811 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.655 -9.174 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.159 -8.560 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.549 -8.991 0.753 1.00 0.00 H new ATOM 1945 N LEU A 122 -6.228 -4.430 -0.513 1.00 0.00 N ATOM 1946 CA LEU A 122 -6.102 -3.078 -1.041 1.00 0.00 C ATOM 1947 C LEU A 122 -7.238 -2.749 -2.006 1.00 0.00 C ATOM 1948 O LEU A 122 -7.871 -1.699 -1.897 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.753 -2.916 -1.746 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.785 -1.938 -1.078 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -2.427 -1.980 -1.764 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -4.353 -0.526 -1.097 1.00 0.00 C ATOM 0 H LEU A 122 -5.488 -5.068 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.160 -2.383 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -4.273 -3.893 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.933 -2.584 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.654 -2.239 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.751 -1.278 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.016 -2.987 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.540 -1.705 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.650 0.155 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.515 -0.213 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.301 -0.508 -0.559 1.00 0.00 H new ATOM 1964 N GLN A 123 -7.483 -3.646 -2.955 1.00 0.00 N ATOM 1965 CA GLN A 123 -8.536 -3.447 -3.950 1.00 0.00 C ATOM 1966 C GLN A 123 -9.852 -3.015 -3.303 1.00 0.00 C ATOM 1967 O GLN A 123 -10.665 -2.335 -3.929 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.752 -4.734 -4.750 1.00 0.00 C ATOM 1969 CG GLN A 123 -9.148 -5.925 -3.892 1.00 0.00 C ATOM 1970 CD GLN A 123 -9.301 -7.199 -4.700 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -9.924 -7.205 -5.761 1.00 0.00 O ATOM 1972 NE2 GLN A 123 -8.733 -8.290 -4.198 1.00 0.00 N ATOM 0 H GLN A 123 -6.967 -4.520 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.212 -2.649 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -9.527 -4.562 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.836 -4.974 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.395 -6.078 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -10.087 -5.706 -3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.225 -8.240 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -8.804 -9.177 -4.696 1.00 0.00 H new ATOM 1981 N SER A 124 -10.059 -3.415 -2.052 1.00 0.00 N ATOM 1982 CA SER A 124 -11.282 -3.068 -1.332 1.00 0.00 C ATOM 1983 C SER A 124 -11.232 -1.637 -0.798 1.00 0.00 C ATOM 1984 O SER A 124 -12.263 -1.066 -0.439 1.00 0.00 O ATOM 1985 CB SER A 124 -11.510 -4.046 -0.179 1.00 0.00 C ATOM 1986 OG SER A 124 -10.590 -3.817 0.875 1.00 0.00 O ATOM 0 H SER A 124 -9.398 -3.978 -1.516 1.00 0.00 H new ATOM 0 HA SER A 124 -12.112 -3.136 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.529 -3.941 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.406 -5.069 -0.540 1.00 0.00 H new ATOM 0 HG SER A 124 -9.750 -3.472 0.507 1.00 0.00 H new ATOM 1992 N GLN A 125 -10.035 -1.060 -0.745 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.862 0.303 -0.250 1.00 0.00 C ATOM 1994 C GLN A 125 -9.976 1.328 -1.379 1.00 0.00 C ATOM 1995 O GLN A 125 -9.636 2.496 -1.201 1.00 0.00 O ATOM 1996 CB GLN A 125 -8.506 0.443 0.444 1.00 0.00 C ATOM 1997 CG GLN A 125 -8.177 -0.709 1.381 1.00 0.00 C ATOM 1998 CD GLN A 125 -9.345 -1.093 2.269 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -10.220 -0.274 2.553 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -9.368 -2.345 2.709 1.00 0.00 N ATOM 0 H GLN A 125 -9.170 -1.515 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.659 0.500 0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.726 0.518 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.492 1.375 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.873 -1.575 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.327 -0.433 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.622 -2.991 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.131 -2.661 3.307 1.00 0.00 H new ATOM 2009 N LYS A 126 -10.457 0.884 -2.540 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.619 1.762 -3.697 1.00 0.00 C ATOM 2011 C LYS A 126 -9.271 2.167 -4.298 1.00 0.00 C ATOM 2012 O LYS A 126 -9.222 2.956 -5.242 1.00 0.00 O ATOM 2013 CB LYS A 126 -11.415 3.013 -3.317 1.00 0.00 C ATOM 2014 CG LYS A 126 -12.726 2.709 -2.611 1.00 0.00 C ATOM 2015 CD LYS A 126 -13.256 3.927 -1.872 1.00 0.00 C ATOM 2016 CE LYS A 126 -12.695 4.013 -0.461 1.00 0.00 C ATOM 2017 NZ LYS A 126 -12.246 5.391 -0.123 1.00 0.00 N ATOM 0 H LYS A 126 -10.742 -0.082 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 126 -11.169 1.201 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.802 3.642 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -11.623 3.589 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.464 2.375 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -12.580 1.890 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -12.995 4.830 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -14.344 3.883 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -13.456 3.694 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -11.856 3.324 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.871 5.406 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.502 5.686 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -13.051 6.045 -0.192 1.00 0.00 H new ATOM 2031 N PHE A 127 -8.180 1.631 -3.755 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.851 1.951 -4.257 1.00 0.00 C ATOM 2033 C PHE A 127 -6.632 1.344 -5.640 1.00 0.00 C ATOM 2034 O PHE A 127 -7.281 0.366 -6.010 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.782 1.440 -3.291 1.00 0.00 C ATOM 2036 CG PHE A 127 -4.447 2.095 -3.489 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -4.299 3.459 -3.306 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.343 1.347 -3.862 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -3.073 4.067 -3.491 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -2.114 1.947 -4.050 1.00 0.00 C ATOM 2041 CZ PHE A 127 -1.978 3.312 -3.864 1.00 0.00 C ATOM 0 H PHE A 127 -8.192 0.977 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.771 3.035 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -6.115 1.610 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.673 0.363 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -5.152 4.054 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.445 0.282 -4.008 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -2.970 5.132 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.261 1.353 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.018 3.785 -4.010 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.715 1.933 -6.403 1.00 0.00 N ATOM 2052 CA GLN A 128 -5.413 1.450 -7.745 1.00 0.00 C ATOM 2053 C GLN A 128 -3.935 1.639 -8.073 1.00 0.00 C ATOM 2054 O GLN A 128 -3.230 2.388 -7.397 1.00 0.00 O ATOM 2055 CB GLN A 128 -6.274 2.180 -8.778 1.00 0.00 C ATOM 2056 CG GLN A 128 -7.648 1.560 -8.972 1.00 0.00 C ATOM 2057 CD GLN A 128 -8.512 2.346 -9.936 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -8.149 2.544 -11.096 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -9.665 2.803 -9.460 1.00 0.00 N ATOM 0 H GLN A 128 -5.169 2.745 -6.114 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.640 0.385 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.394 3.219 -8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.750 2.189 -9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.534 0.541 -9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.152 1.495 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.927 2.616 -8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -10.288 3.341 -10.062 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.474 0.957 -9.117 1.00 0.00 N ATOM 2069 CA ILE A 129 -2.081 1.051 -9.535 1.00 0.00 C ATOM 2070 C ILE A 129 -1.729 2.475 -9.951 1.00 0.00 C ATOM 2071 O ILE A 129 -2.253 2.992 -10.939 1.00 0.00 O ATOM 2072 CB ILE A 129 -1.777 0.094 -10.707 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -2.240 -1.325 -10.371 1.00 0.00 C ATOM 2074 CG2 ILE A 129 -0.289 0.108 -11.033 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -1.952 -2.330 -11.466 1.00 0.00 C ATOM 0 H ILE A 129 -4.045 0.334 -9.688 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.473 0.764 -8.677 1.00 0.00 H new ATOM 0 HB ILE A 129 -2.325 0.436 -11.585 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.751 -1.650 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.312 -1.312 -10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.092 -0.572 -11.862 1.00 0.00 H new ATOM 0 HG22 ILE A 129 0.013 1.117 -11.312 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.278 -0.211 -10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.307 -3.314 -11.159 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -2.463 -2.028 -12.380 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.878 -2.372 -11.648 1.00 0.00 H new ATOM 2087 N GLY A 130 -0.838 3.105 -9.192 1.00 0.00 N ATOM 2088 CA GLY A 130 -0.432 4.464 -9.499 1.00 0.00 C ATOM 2089 C GLY A 130 -0.903 5.464 -8.460 1.00 0.00 C ATOM 2090 O GLY A 130 -0.386 6.579 -8.387 1.00 0.00 O ATOM 0 H GLY A 130 -0.390 2.699 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.655 4.507 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.828 4.746 -10.475 1.00 0.00 H new ATOM 2094 N ASP A 131 -1.886 5.070 -7.656 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.423 5.945 -6.623 1.00 0.00 C ATOM 2096 C ASP A 131 -1.398 6.178 -5.522 1.00 0.00 C ATOM 2097 O ASP A 131 -0.425 5.433 -5.383 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.706 5.357 -6.037 1.00 0.00 C ATOM 2099 CG ASP A 131 -4.914 5.613 -6.919 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -4.976 5.036 -8.024 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.798 6.391 -6.502 1.00 0.00 O ATOM 0 H ASP A 131 -2.326 4.151 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.657 6.906 -7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.581 4.283 -5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.882 5.786 -5.051 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.608 7.235 -4.748 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.691 7.592 -3.667 1.00 0.00 C ATOM 2108 C TYR A 132 -1.192 7.121 -2.300 1.00 0.00 C ATOM 2109 O TYR A 132 -2.180 7.636 -1.769 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.467 9.109 -3.633 1.00 0.00 C ATOM 2111 CG TYR A 132 -0.450 9.756 -4.999 1.00 0.00 C ATOM 2112 CD1 TYR A 132 0.481 9.377 -5.958 1.00 0.00 C ATOM 2113 CD2 TYR A 132 -1.364 10.749 -5.328 1.00 0.00 C ATOM 2114 CE1 TYR A 132 0.499 9.966 -7.208 1.00 0.00 C ATOM 2115 CE2 TYR A 132 -1.353 11.344 -6.576 1.00 0.00 C ATOM 2116 CZ TYR A 132 -0.420 10.950 -7.511 1.00 0.00 C ATOM 2117 OH TYR A 132 -0.407 11.541 -8.753 1.00 0.00 O ATOM 0 H TYR A 132 -2.406 7.863 -4.847 1.00 0.00 H new ATOM 0 HA TYR A 132 0.251 7.083 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.253 9.569 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.479 9.316 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 132 1.203 8.609 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -2.095 11.061 -4.597 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.228 9.658 -7.943 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.072 12.113 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 132 -1.119 12.212 -8.803 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.476 6.157 -1.724 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.813 5.623 -0.409 1.00 0.00 C ATOM 2129 C LEU A 133 0.121 6.234 0.633 1.00 0.00 C ATOM 2130 O LEU A 133 1.334 6.257 0.432 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.652 4.091 -0.397 1.00 0.00 C ATOM 2132 CG LEU A 133 -1.935 3.249 -0.492 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.734 1.914 0.204 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -3.139 3.974 0.097 1.00 0.00 C ATOM 0 H LEU A 133 0.345 5.729 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.849 5.873 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.003 3.813 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -0.133 3.813 0.520 1.00 0.00 H new ATOM 0 HG LEU A 133 -2.141 3.081 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.648 1.325 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.916 1.375 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.494 2.083 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -4.023 3.343 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.953 4.193 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.303 4.906 -0.444 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.428 6.735 1.738 1.00 0.00 N ATOM 2147 CA ASP A 134 0.393 7.340 2.777 1.00 0.00 C ATOM 2148 C ASP A 134 0.292 6.545 4.073 1.00 0.00 C ATOM 2149 O ASP A 134 -0.780 6.447 4.668 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.046 8.784 3.014 1.00 0.00 C ATOM 2151 CG ASP A 134 1.125 9.710 3.280 1.00 0.00 C ATOM 2152 OD1 ASP A 134 1.834 9.493 4.285 1.00 0.00 O ATOM 2153 OD2 ASP A 134 1.334 10.648 2.484 1.00 0.00 O ATOM 0 H ASP A 134 -1.429 6.733 1.933 1.00 0.00 H new ATOM 0 HA ASP A 134 1.432 7.331 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -0.597 9.141 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -0.732 8.818 3.861 1.00 0.00 H new ATOM 2158 N ILE A 135 1.412 5.973 4.501 1.00 0.00 N ATOM 2159 CA ILE A 135 1.443 5.182 5.724 1.00 0.00 C ATOM 2160 C ILE A 135 1.950 6.005 6.906 1.00 0.00 C ATOM 2161 O ILE A 135 3.062 6.531 6.883 1.00 0.00 O ATOM 2162 CB ILE A 135 2.328 3.926 5.557 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.720 2.983 4.514 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.504 3.205 6.889 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.559 2.845 3.261 1.00 0.00 C ATOM 0 H ILE A 135 2.309 6.043 4.020 1.00 0.00 H new ATOM 0 HA ILE A 135 0.418 4.870 5.925 1.00 0.00 H new ATOM 0 HB ILE A 135 3.312 4.244 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.585 1.998 4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.730 3.347 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 135 3.130 2.324 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.978 3.875 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.529 2.899 7.269 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.068 2.163 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.673 3.821 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.541 2.451 3.522 1.00 0.00 H new ATOM 2177 N ALA A 136 1.129 6.097 7.945 1.00 0.00 N ATOM 2178 CA ALA A 136 1.492 6.837 9.144 1.00 0.00 C ATOM 2179 C ALA A 136 1.993 5.882 10.221 1.00 0.00 C ATOM 2180 O ALA A 136 1.203 5.195 10.866 1.00 0.00 O ATOM 2181 CB ALA A 136 0.302 7.637 9.653 1.00 0.00 C ATOM 0 H ALA A 136 0.205 5.666 7.980 1.00 0.00 H new ATOM 0 HA ALA A 136 2.294 7.532 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.589 8.185 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.019 8.341 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.518 6.959 9.889 1.00 0.00 H new ATOM 2187 N ILE A 137 3.309 5.832 10.402 1.00 0.00 N ATOM 2188 CA ILE A 137 3.911 4.949 11.393 1.00 0.00 C ATOM 2189 C ILE A 137 4.019 5.637 12.749 1.00 0.00 C ATOM 2190 O ILE A 137 4.617 6.707 12.867 1.00 0.00 O ATOM 2191 CB ILE A 137 5.311 4.478 10.948 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.283 4.021 9.487 1.00 0.00 C ATOM 2193 CG2 ILE A 137 5.805 3.354 11.845 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.654 3.726 8.921 1.00 0.00 C ATOM 0 H ILE A 137 3.978 6.393 9.875 1.00 0.00 H new ATOM 0 HA ILE A 137 3.258 4.081 11.484 1.00 0.00 H new ATOM 0 HB ILE A 137 6.000 5.318 11.035 1.00 0.00 H new ATOM 0 HG12 ILE A 137 4.665 3.127 9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 137 4.807 4.793 8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 137 6.794 3.034 11.516 1.00 0.00 H new ATOM 0 HG22 ILE A 137 5.862 3.708 12.874 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.114 2.513 11.788 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.558 3.408 7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.269 4.625 8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.124 2.933 9.502 1.00 0.00 H new ATOM 2206 N THR A 138 3.432 5.018 13.767 1.00 0.00 N ATOM 2207 CA THR A 138 3.455 5.571 15.117 1.00 0.00 C ATOM 2208 C THR A 138 4.306 4.709 16.048 1.00 0.00 C ATOM 2209 O THR A 138 3.933 3.581 16.373 1.00 0.00 O ATOM 2210 CB THR A 138 2.031 5.677 15.666 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.129 6.074 14.651 1.00 0.00 O ATOM 2212 CG2 THR A 138 1.903 6.662 16.807 1.00 0.00 C ATOM 0 H THR A 138 2.934 4.132 13.683 1.00 0.00 H new ATOM 0 HA THR A 138 3.898 6.566 15.068 1.00 0.00 H new ATOM 0 HB THR A 138 1.790 4.681 16.038 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.930 5.308 14.073 1.00 0.00 H new ATOM 0 HG21 THR A 138 0.869 6.689 17.150 1.00 0.00 H new ATOM 0 HG22 THR A 138 2.550 6.353 17.628 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.198 7.654 16.466 1.00 0.00 H new ATOM 2220 N PRO A 139 5.465 5.227 16.497 1.00 0.00 N ATOM 2221 CA PRO A 139 6.358 4.490 17.397 1.00 0.00 C ATOM 2222 C PRO A 139 5.635 3.994 18.647 1.00 0.00 C ATOM 2223 O PRO A 139 4.650 4.593 19.080 1.00 0.00 O ATOM 2224 CB PRO A 139 7.424 5.522 17.773 1.00 0.00 C ATOM 2225 CG PRO A 139 7.412 6.509 16.658 1.00 0.00 C ATOM 2226 CD PRO A 139 5.992 6.565 16.168 1.00 0.00 C ATOM 0 HA PRO A 139 6.763 3.596 16.924 1.00 0.00 H new ATOM 0 HB2 PRO A 139 7.193 5.999 18.725 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.404 5.057 17.879 1.00 0.00 H new ATOM 0 HG2 PRO A 139 7.745 7.489 17.001 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.088 6.204 15.860 1.00 0.00 H new ATOM 0 HD2 PRO A 139 5.426 7.353 16.665 1.00 0.00 H new ATOM 0 HD3 PRO A 139 5.944 6.764 15.097 1.00 0.00 H new ATOM 2234 N PRO A 140 6.113 2.889 19.243 1.00 0.00 N ATOM 2235 CA PRO A 140 5.509 2.313 20.442 1.00 0.00 C ATOM 2236 C PRO A 140 6.035 2.944 21.731 1.00 0.00 C ATOM 2237 O PRO A 140 6.219 2.258 22.736 1.00 0.00 O ATOM 2238 CB PRO A 140 5.937 0.853 20.353 1.00 0.00 C ATOM 2239 CG PRO A 140 7.276 0.894 19.697 1.00 0.00 C ATOM 2240 CD PRO A 140 7.279 2.105 18.792 1.00 0.00 C ATOM 0 HA PRO A 140 4.431 2.470 20.479 1.00 0.00 H new ATOM 0 HB2 PRO A 140 5.993 0.395 21.341 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.227 0.266 19.770 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.069 0.965 20.441 1.00 0.00 H new ATOM 0 HG3 PRO A 140 7.455 -0.017 19.126 1.00 0.00 H new ATOM 0 HD2 PRO A 140 8.204 2.673 18.889 1.00 0.00 H new ATOM 0 HD3 PRO A 140 7.188 1.820 17.744 1.00 0.00 H new