USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 ASN : amide:sc= -6.66! C(o=-6.7!,f=-13!) USER MOD Single : A 25 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -139:sc=-0.00161 (180deg=-0.123) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.6) USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= -0.306 (180deg=-1.56!) USER MOD Single : A 44 THR OG1 : rot 119:sc= 0.925 USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= -0.299 (180deg=-1.44!) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -2.24! (180deg=-7.26!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.433 USER MOD Single : A 55 SER OG : rot 180:sc= 0.161 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.63) USER MOD Single : A 71 GLN : amide:sc= -3.27 K(o=-3.3,f=-6.2!) USER MOD Single : A 77 LYS NZ :NH3+ -120:sc= -1.07 (180deg=-2.13!) USER MOD Single : A 80 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.58!) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -0.0278 (180deg=-0.266) USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= -0.0231 (180deg=-0.608) USER MOD Single : A 88 GLN : amide:sc= -7.1! C(o=-7.1!,f=-3.8!) USER MOD Single : A 93 GLN : amide:sc= -0.835 X(o=-0.83,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= -0.157 (180deg=-0.944) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 71:sc= 0.837 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -148:sc= 0.0645 (180deg=0) USER MOD Single : A 105 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 8.441 -20.961 -0.210 1.00 0.00 N ATOM 276 CA ASN A 22 9.144 -20.408 -1.368 1.00 0.00 C ATOM 277 C ASN A 22 8.248 -19.420 -2.104 1.00 0.00 C ATOM 278 O ASN A 22 7.897 -18.363 -1.580 1.00 0.00 O ATOM 279 CB ASN A 22 9.539 -21.550 -2.317 1.00 0.00 C ATOM 280 CG ASN A 22 10.420 -21.041 -3.451 1.00 0.00 C ATOM 281 OD1 ASN A 22 11.174 -20.085 -3.273 1.00 0.00 O ATOM 282 ND2 ASN A 22 10.380 -21.641 -4.610 1.00 0.00 N ATOM 0 HA ASN A 22 10.039 -19.887 -1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.068 -22.323 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.642 -22.012 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.975 -21.318 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.753 -22.433 -4.753 1.00 0.00 H new ATOM 289 N ALA A 23 7.891 -19.784 -3.321 1.00 0.00 N ATOM 290 CA ALA A 23 7.039 -18.949 -4.156 1.00 0.00 C ATOM 291 C ALA A 23 5.809 -18.471 -3.389 1.00 0.00 C ATOM 292 O ALA A 23 5.427 -17.307 -3.477 1.00 0.00 O ATOM 293 CB ALA A 23 6.600 -19.747 -5.379 1.00 0.00 C ATOM 0 H ALA A 23 8.179 -20.659 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 23 7.608 -18.072 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.962 -19.127 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.478 -20.056 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.046 -20.629 -5.058 1.00 0.00 H new ATOM 299 N ALA A 24 5.186 -19.367 -2.637 1.00 0.00 N ATOM 300 CA ALA A 24 4.005 -18.988 -1.871 1.00 0.00 C ATOM 301 C ALA A 24 4.294 -17.716 -1.081 1.00 0.00 C ATOM 302 O ALA A 24 3.551 -16.736 -1.155 1.00 0.00 O ATOM 303 CB ALA A 24 3.613 -20.115 -0.913 1.00 0.00 C ATOM 0 H ALA A 24 5.470 -20.342 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 24 3.179 -18.808 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.730 -19.820 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.394 -21.018 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.436 -20.311 -0.226 1.00 0.00 H new ATOM 309 N GLN A 25 5.389 -17.746 -0.333 1.00 0.00 N ATOM 310 CA GLN A 25 5.808 -16.615 0.476 1.00 0.00 C ATOM 311 C GLN A 25 5.966 -15.353 -0.365 1.00 0.00 C ATOM 312 O GLN A 25 5.669 -14.249 0.089 1.00 0.00 O ATOM 313 CB GLN A 25 7.137 -16.978 1.121 1.00 0.00 C ATOM 314 CG GLN A 25 7.519 -15.936 2.170 1.00 0.00 C ATOM 315 CD GLN A 25 8.909 -16.237 2.733 1.00 0.00 C ATOM 316 OE1 GLN A 25 9.705 -15.318 2.930 1.00 0.00 O ATOM 317 NE2 GLN A 25 9.258 -17.470 3.008 1.00 0.00 N ATOM 0 H GLN A 25 6.009 -18.554 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 25 5.049 -16.406 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.067 -17.962 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.914 -17.039 0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.506 -14.941 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.785 -15.935 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.602 -18.234 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.186 -17.666 3.384 1.00 0.00 H new ATOM 326 N VAL A 26 6.446 -15.526 -1.588 1.00 0.00 N ATOM 327 CA VAL A 26 6.657 -14.399 -2.488 1.00 0.00 C ATOM 328 C VAL A 26 5.321 -13.804 -2.939 1.00 0.00 C ATOM 329 O VAL A 26 4.993 -12.666 -2.603 1.00 0.00 O ATOM 330 CB VAL A 26 7.475 -14.876 -3.703 1.00 0.00 C ATOM 331 CG1 VAL A 26 7.337 -13.896 -4.871 1.00 0.00 C ATOM 332 CG2 VAL A 26 8.948 -14.996 -3.307 1.00 0.00 C ATOM 0 H VAL A 26 6.697 -16.434 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 26 7.205 -13.617 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 26 7.094 -15.847 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.923 -14.254 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.289 -13.821 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.700 -12.914 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.529 -15.333 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.317 -14.024 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.049 -15.716 -2.495 1.00 0.00 H new ATOM 342 N LYS A 27 4.568 -14.575 -3.711 1.00 0.00 N ATOM 343 CA LYS A 27 3.281 -14.112 -4.219 1.00 0.00 C ATOM 344 C LYS A 27 2.481 -13.404 -3.128 1.00 0.00 C ATOM 345 O LYS A 27 1.855 -12.372 -3.376 1.00 0.00 O ATOM 346 CB LYS A 27 2.484 -15.299 -4.752 1.00 0.00 C ATOM 347 CG LYS A 27 3.096 -15.785 -6.069 1.00 0.00 C ATOM 348 CD LYS A 27 2.198 -16.860 -6.694 1.00 0.00 C ATOM 349 CE LYS A 27 2.214 -18.130 -5.834 1.00 0.00 C ATOM 350 NZ LYS A 27 1.734 -19.283 -6.645 1.00 0.00 N ATOM 0 H LYS A 27 4.823 -15.520 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 27 3.466 -13.400 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.484 -16.107 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.445 -15.010 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.210 -14.948 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.092 -16.189 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.178 -16.485 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.542 -17.091 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.223 -18.323 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.578 -17.998 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.744 -20.145 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.764 -19.098 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.358 -19.413 -7.467 1.00 0.00 H new ATOM 364 N ASP A 28 2.499 -13.963 -1.925 1.00 0.00 N ATOM 365 CA ASP A 28 1.766 -13.373 -0.813 1.00 0.00 C ATOM 366 C ASP A 28 2.293 -11.976 -0.497 1.00 0.00 C ATOM 367 O ASP A 28 1.541 -11.101 -0.069 1.00 0.00 O ATOM 368 CB ASP A 28 1.894 -14.261 0.426 1.00 0.00 C ATOM 369 CG ASP A 28 1.063 -13.686 1.569 1.00 0.00 C ATOM 370 OD1 ASP A 28 -0.148 -13.828 1.525 1.00 0.00 O ATOM 371 OD2 ASP A 28 1.651 -13.113 2.472 1.00 0.00 O ATOM 0 H ASP A 28 3.008 -14.816 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 28 0.717 -13.294 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.559 -15.272 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.940 -14.332 0.726 1.00 0.00 H new ATOM 376 N ALA A 29 3.590 -11.776 -0.705 1.00 0.00 N ATOM 377 CA ALA A 29 4.209 -10.483 -0.430 1.00 0.00 C ATOM 378 C ALA A 29 3.960 -9.495 -1.568 1.00 0.00 C ATOM 379 O ALA A 29 4.175 -8.294 -1.413 1.00 0.00 O ATOM 380 CB ALA A 29 5.716 -10.661 -0.233 1.00 0.00 C ATOM 0 H ALA A 29 4.230 -12.487 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 29 3.760 -10.082 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.173 -9.693 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.896 -11.332 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.154 -11.085 -1.137 1.00 0.00 H new ATOM 386 N LEU A 30 3.506 -10.003 -2.711 1.00 0.00 N ATOM 387 CA LEU A 30 3.236 -9.142 -3.862 1.00 0.00 C ATOM 388 C LEU A 30 1.877 -8.468 -3.698 1.00 0.00 C ATOM 389 O LEU A 30 1.741 -7.260 -3.896 1.00 0.00 O ATOM 390 CB LEU A 30 3.263 -9.978 -5.161 1.00 0.00 C ATOM 391 CG LEU A 30 4.684 -10.047 -5.752 1.00 0.00 C ATOM 392 CD1 LEU A 30 5.575 -10.963 -4.905 1.00 0.00 C ATOM 393 CD2 LEU A 30 4.602 -10.609 -7.178 1.00 0.00 C ATOM 0 H LEU A 30 3.319 -10.994 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 30 4.006 -8.373 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.903 -10.986 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.583 -9.540 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 30 5.114 -9.045 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.575 -11.000 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.634 -10.575 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.151 -11.967 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.603 -10.662 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.165 -11.607 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.979 -9.957 -7.791 1.00 0.00 H new ATOM 405 N THR A 31 0.872 -9.249 -3.334 1.00 0.00 N ATOM 406 CA THR A 31 -0.458 -8.694 -3.149 1.00 0.00 C ATOM 407 C THR A 31 -0.514 -7.892 -1.857 1.00 0.00 C ATOM 408 O THR A 31 -1.350 -7.002 -1.700 1.00 0.00 O ATOM 409 CB THR A 31 -1.492 -9.810 -3.100 1.00 0.00 C ATOM 410 OG1 THR A 31 -2.783 -9.249 -2.906 1.00 0.00 O ATOM 411 CG2 THR A 31 -1.162 -10.751 -1.945 1.00 0.00 C ATOM 0 H THR A 31 0.949 -10.252 -3.163 1.00 0.00 H new ATOM 0 HA THR A 31 -0.680 -8.038 -3.990 1.00 0.00 H new ATOM 0 HB THR A 31 -1.478 -10.366 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.450 -9.966 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.900 -11.552 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.171 -11.178 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.179 -10.196 -1.007 1.00 0.00 H new ATOM 419 N LYS A 32 0.389 -8.212 -0.937 1.00 0.00 N ATOM 420 CA LYS A 32 0.440 -7.511 0.338 1.00 0.00 C ATOM 421 C LYS A 32 0.522 -6.015 0.095 1.00 0.00 C ATOM 422 O LYS A 32 -0.387 -5.266 0.450 1.00 0.00 O ATOM 423 CB LYS A 32 1.661 -7.963 1.151 1.00 0.00 C ATOM 424 CG LYS A 32 1.520 -7.504 2.627 1.00 0.00 C ATOM 425 CD LYS A 32 2.882 -7.047 3.182 1.00 0.00 C ATOM 426 CE LYS A 32 3.149 -5.594 2.774 1.00 0.00 C ATOM 427 NZ LYS A 32 2.345 -4.681 3.634 1.00 0.00 N ATOM 0 H LYS A 32 1.089 -8.945 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.464 -7.744 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.755 -9.048 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.570 -7.546 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.801 -6.687 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.130 -8.322 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.891 -7.137 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.674 -7.692 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.210 -5.366 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.890 -5.446 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.951 -3.914 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.569 -5.214 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.953 -4.277 4.375 1.00 0.00 H new ATOM 441 N MET A 33 1.614 -5.588 -0.527 1.00 0.00 N ATOM 442 CA MET A 33 1.789 -4.172 -0.826 1.00 0.00 C ATOM 443 C MET A 33 0.630 -3.708 -1.707 1.00 0.00 C ATOM 444 O MET A 33 -0.074 -2.766 -1.354 1.00 0.00 O ATOM 445 CB MET A 33 3.151 -3.913 -1.509 1.00 0.00 C ATOM 446 CG MET A 33 3.638 -5.182 -2.206 1.00 0.00 C ATOM 447 SD MET A 33 5.189 -4.837 -3.069 1.00 0.00 S ATOM 448 CE MET A 33 6.293 -5.254 -1.698 1.00 0.00 C ATOM 0 H MET A 33 2.380 -6.190 -0.830 1.00 0.00 H new ATOM 0 HA MET A 33 1.786 -3.601 0.103 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.055 -3.105 -2.234 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.883 -3.592 -0.768 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.785 -5.978 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.886 -5.533 -2.913 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.328 -5.112 -2.008 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.077 -4.607 -0.848 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.139 -6.294 -1.411 1.00 0.00 H new ATOM 458 N ARG A 34 0.424 -4.383 -2.843 1.00 0.00 N ATOM 459 CA ARG A 34 -0.678 -4.033 -3.746 1.00 0.00 C ATOM 460 C ARG A 34 -1.917 -3.613 -2.955 1.00 0.00 C ATOM 461 O ARG A 34 -2.326 -2.452 -2.987 1.00 0.00 O ATOM 462 CB ARG A 34 -1.040 -5.245 -4.604 1.00 0.00 C ATOM 463 CG ARG A 34 -1.926 -4.820 -5.779 1.00 0.00 C ATOM 464 CD ARG A 34 -2.080 -6.000 -6.749 1.00 0.00 C ATOM 465 NE ARG A 34 -3.261 -5.814 -7.584 1.00 0.00 N ATOM 466 CZ ARG A 34 -3.441 -6.530 -8.689 1.00 0.00 C ATOM 467 NH1 ARG A 34 -2.555 -7.422 -9.040 1.00 0.00 N ATOM 468 NH2 ARG A 34 -4.504 -6.343 -9.422 1.00 0.00 N ATOM 0 H ARG A 34 0.998 -5.166 -3.157 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.353 -3.203 -4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.132 -5.719 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.560 -5.986 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.904 -4.502 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.484 -3.967 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.192 -6.084 -7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.164 -6.932 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.961 -5.122 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.725 -7.569 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.693 -7.972 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.197 -5.647 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.642 -6.893 -10.270 1.00 0.00 H new ATOM 482 N ALA A 35 -2.506 -4.573 -2.244 1.00 0.00 N ATOM 483 CA ALA A 35 -3.695 -4.299 -1.448 1.00 0.00 C ATOM 484 C ALA A 35 -3.436 -3.149 -0.482 1.00 0.00 C ATOM 485 O ALA A 35 -4.365 -2.462 -0.060 1.00 0.00 O ATOM 486 CB ALA A 35 -4.098 -5.548 -0.661 1.00 0.00 C ATOM 0 H ALA A 35 -2.181 -5.539 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.505 -4.019 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.988 -5.334 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.311 -6.362 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.283 -5.839 0.001 1.00 0.00 H new ATOM 492 N ALA A 36 -2.167 -2.938 -0.144 1.00 0.00 N ATOM 493 CA ALA A 36 -1.800 -1.861 0.767 1.00 0.00 C ATOM 494 C ALA A 36 -1.792 -0.536 0.018 1.00 0.00 C ATOM 495 O ALA A 36 -2.111 0.511 0.579 1.00 0.00 O ATOM 496 CB ALA A 36 -0.418 -2.128 1.384 1.00 0.00 C ATOM 0 H ALA A 36 -1.382 -3.494 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.534 -1.814 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.159 -1.315 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.442 -3.067 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.328 -2.192 0.592 1.00 0.00 H new ATOM 502 N ALA A 37 -1.441 -0.597 -1.261 1.00 0.00 N ATOM 503 CA ALA A 37 -1.413 0.596 -2.088 1.00 0.00 C ATOM 504 C ALA A 37 -2.835 1.060 -2.353 1.00 0.00 C ATOM 505 O ALA A 37 -3.146 2.243 -2.225 1.00 0.00 O ATOM 506 CB ALA A 37 -0.708 0.305 -3.413 1.00 0.00 C ATOM 0 H ALA A 37 -1.174 -1.456 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.865 1.380 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.694 1.208 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.315 -0.017 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.242 -0.484 -3.944 1.00 0.00 H new ATOM 512 N LEU A 38 -3.703 0.116 -2.711 1.00 0.00 N ATOM 513 CA LEU A 38 -5.100 0.448 -2.978 1.00 0.00 C ATOM 514 C LEU A 38 -5.773 0.955 -1.703 1.00 0.00 C ATOM 515 O LEU A 38 -6.472 1.971 -1.708 1.00 0.00 O ATOM 516 CB LEU A 38 -5.845 -0.785 -3.501 1.00 0.00 C ATOM 517 CG LEU A 38 -5.140 -1.335 -4.751 1.00 0.00 C ATOM 518 CD1 LEU A 38 -5.617 -2.763 -5.019 1.00 0.00 C ATOM 519 CD2 LEU A 38 -5.461 -0.461 -5.972 1.00 0.00 C ATOM 0 H LEU A 38 -3.469 -0.870 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.134 1.232 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.883 -1.552 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.876 -0.523 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.064 -1.328 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.117 -3.153 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.380 -3.393 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.695 -2.762 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.955 -0.862 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.537 -0.457 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.119 0.558 -5.790 1.00 0.00 H new ATOM 531 N ASP A 39 -5.547 0.244 -0.608 1.00 0.00 N ATOM 532 CA ASP A 39 -6.124 0.632 0.671 1.00 0.00 C ATOM 533 C ASP A 39 -5.654 2.030 1.053 1.00 0.00 C ATOM 534 O ASP A 39 -6.462 2.932 1.278 1.00 0.00 O ATOM 535 CB ASP A 39 -5.701 -0.369 1.748 1.00 0.00 C ATOM 536 CG ASP A 39 -6.523 -0.170 3.014 1.00 0.00 C ATOM 537 OD1 ASP A 39 -7.729 -0.344 2.947 1.00 0.00 O ATOM 538 OD2 ASP A 39 -5.937 0.152 4.033 1.00 0.00 O ATOM 0 H ASP A 39 -4.973 -0.598 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.211 0.636 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.832 -1.386 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.642 -0.245 1.972 1.00 0.00 H new ATOM 543 N ALA A 40 -4.341 2.205 1.119 1.00 0.00 N ATOM 544 CA ALA A 40 -3.765 3.496 1.475 1.00 0.00 C ATOM 545 C ALA A 40 -4.221 4.583 0.504 1.00 0.00 C ATOM 546 O ALA A 40 -4.556 5.692 0.919 1.00 0.00 O ATOM 547 CB ALA A 40 -2.239 3.401 1.474 1.00 0.00 C ATOM 0 H ALA A 40 -3.656 1.473 0.932 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.110 3.764 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.814 4.369 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.921 2.652 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.893 3.114 0.481 1.00 0.00 H new ATOM 553 N GLN A 41 -4.232 4.264 -0.788 1.00 0.00 N ATOM 554 CA GLN A 41 -4.648 5.224 -1.793 1.00 0.00 C ATOM 555 C GLN A 41 -5.927 5.931 -1.378 1.00 0.00 C ATOM 556 O GLN A 41 -6.068 7.134 -1.590 1.00 0.00 O ATOM 557 CB GLN A 41 -4.868 4.486 -3.107 1.00 0.00 C ATOM 558 CG GLN A 41 -5.428 5.440 -4.168 1.00 0.00 C ATOM 559 CD GLN A 41 -5.244 4.815 -5.545 1.00 0.00 C ATOM 560 OE1 GLN A 41 -5.577 5.426 -6.560 1.00 0.00 O ATOM 561 NE2 GLN A 41 -4.725 3.619 -5.631 1.00 0.00 N ATOM 0 H GLN A 41 -3.959 3.353 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.871 5.980 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.927 4.059 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.558 3.656 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.484 5.633 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.915 6.400 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.452 3.120 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.593 3.185 -6.544 1.00 0.00 H new ATOM 570 N LYS A 42 -6.873 5.189 -0.801 1.00 0.00 N ATOM 571 CA LYS A 42 -8.134 5.797 -0.394 1.00 0.00 C ATOM 572 C LYS A 42 -8.785 5.059 0.778 1.00 0.00 C ATOM 573 O LYS A 42 -9.976 4.750 0.742 1.00 0.00 O ATOM 574 CB LYS A 42 -9.078 5.814 -1.610 1.00 0.00 C ATOM 575 CG LYS A 42 -9.933 7.093 -1.611 1.00 0.00 C ATOM 576 CD LYS A 42 -9.166 8.254 -2.274 1.00 0.00 C ATOM 577 CE LYS A 42 -9.327 8.200 -3.801 1.00 0.00 C ATOM 578 NZ LYS A 42 -10.776 8.203 -4.153 1.00 0.00 N ATOM 0 H LYS A 42 -6.792 4.190 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.936 6.811 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.496 5.758 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.725 4.937 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.866 6.914 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.198 7.361 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.538 9.206 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.110 8.197 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.830 9.055 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.849 7.304 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.925 8.777 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.092 7.228 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.324 8.605 -3.366 1.00 0.00 H new ATOM 592 N ALA A 43 -8.008 4.795 1.822 1.00 0.00 N ATOM 593 CA ALA A 43 -8.541 4.114 2.999 1.00 0.00 C ATOM 594 C ALA A 43 -7.672 4.400 4.223 1.00 0.00 C ATOM 595 O ALA A 43 -8.164 4.878 5.246 1.00 0.00 O ATOM 596 CB ALA A 43 -8.616 2.600 2.745 1.00 0.00 C ATOM 0 H ALA A 43 -7.019 5.038 1.880 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.546 4.490 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.015 2.102 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.269 2.406 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.618 2.217 2.532 1.00 0.00 H new ATOM 602 N THR A 44 -6.380 4.090 4.114 1.00 0.00 N ATOM 603 CA THR A 44 -5.444 4.299 5.218 1.00 0.00 C ATOM 604 C THR A 44 -4.483 5.454 4.934 1.00 0.00 C ATOM 605 O THR A 44 -3.318 5.215 4.619 1.00 0.00 O ATOM 606 CB THR A 44 -4.633 3.020 5.443 1.00 0.00 C ATOM 607 OG1 THR A 44 -5.519 1.916 5.551 1.00 0.00 O ATOM 608 CG2 THR A 44 -3.816 3.149 6.728 1.00 0.00 C ATOM 0 H THR A 44 -5.959 3.694 3.274 1.00 0.00 H new ATOM 0 HA THR A 44 -6.024 4.549 6.106 1.00 0.00 H new ATOM 0 HB THR A 44 -3.957 2.865 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.332 1.275 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.240 2.237 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.137 3.998 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.488 3.304 7.572 1.00 0.00 H new ATOM 616 N PRO A 45 -4.927 6.693 5.058 1.00 0.00 N ATOM 617 CA PRO A 45 -4.057 7.882 4.831 1.00 0.00 C ATOM 618 C PRO A 45 -2.605 7.605 5.246 1.00 0.00 C ATOM 619 O PRO A 45 -2.278 7.659 6.432 1.00 0.00 O ATOM 620 CB PRO A 45 -4.707 8.928 5.729 1.00 0.00 C ATOM 621 CG PRO A 45 -6.172 8.636 5.627 1.00 0.00 C ATOM 622 CD PRO A 45 -6.299 7.112 5.419 1.00 0.00 C ATOM 0 HA PRO A 45 -3.990 8.183 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.355 8.845 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.478 9.939 5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.694 8.949 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.620 9.180 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.646 6.612 6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.012 6.873 4.629 1.00 0.00 H new ATOM 630 N PRO A 46 -1.740 7.269 4.313 1.00 0.00 N ATOM 631 CA PRO A 46 -0.315 6.931 4.617 1.00 0.00 C ATOM 632 C PRO A 46 0.556 8.165 4.832 1.00 0.00 C ATOM 633 O PRO A 46 0.545 8.762 5.905 1.00 0.00 O ATOM 634 CB PRO A 46 0.113 6.155 3.370 1.00 0.00 C ATOM 635 CG PRO A 46 -0.638 6.821 2.269 1.00 0.00 C ATOM 636 CD PRO A 46 -2.006 7.174 2.859 1.00 0.00 C ATOM 0 HA PRO A 46 -0.207 6.372 5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.190 6.212 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.143 5.098 3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.118 7.714 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.741 6.160 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.386 8.114 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.749 6.409 2.636 1.00 0.00 H new ATOM 644 N LYS A 47 1.322 8.526 3.808 1.00 0.00 N ATOM 645 CA LYS A 47 2.211 9.673 3.893 1.00 0.00 C ATOM 646 C LYS A 47 1.422 10.972 3.758 1.00 0.00 C ATOM 647 O LYS A 47 1.917 12.046 4.099 1.00 0.00 O ATOM 648 CB LYS A 47 3.275 9.577 2.772 1.00 0.00 C ATOM 649 CG LYS A 47 4.575 8.968 3.318 1.00 0.00 C ATOM 650 CD LYS A 47 5.383 10.051 4.048 1.00 0.00 C ATOM 651 CE LYS A 47 6.375 9.400 5.016 1.00 0.00 C ATOM 652 NZ LYS A 47 5.642 8.519 5.970 1.00 0.00 N ATOM 0 H LYS A 47 1.343 8.040 2.912 1.00 0.00 H new ATOM 0 HA LYS A 47 2.704 9.673 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.896 8.966 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.473 10.568 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.347 8.149 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.163 8.549 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.918 10.667 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.710 10.713 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.111 8.818 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.922 10.168 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.052 8.619 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.639 8.793 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.723 7.529 5.661 1.00 0.00 H new ATOM 666 N LEU A 48 0.204 10.871 3.249 1.00 0.00 N ATOM 667 CA LEU A 48 -0.626 12.062 3.067 1.00 0.00 C ATOM 668 C LEU A 48 -1.227 12.515 4.395 1.00 0.00 C ATOM 669 O LEU A 48 -2.436 12.719 4.505 1.00 0.00 O ATOM 670 CB LEU A 48 -1.744 11.804 2.044 1.00 0.00 C ATOM 671 CG LEU A 48 -1.268 10.796 0.989 1.00 0.00 C ATOM 672 CD1 LEU A 48 -2.350 10.644 -0.085 1.00 0.00 C ATOM 673 CD2 LEU A 48 0.038 11.284 0.339 1.00 0.00 C ATOM 0 H LEU A 48 -0.230 9.995 2.958 1.00 0.00 H new ATOM 0 HA LEU A 48 0.016 12.856 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.630 11.422 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.030 12.739 1.562 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.084 9.835 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.018 9.929 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.271 10.285 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.532 11.609 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.365 10.560 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.132 12.248 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.808 11.390 1.104 1.00 0.00 H new ATOM 685 N GLU A 49 -0.371 12.676 5.395 1.00 0.00 N ATOM 686 CA GLU A 49 -0.823 13.114 6.711 1.00 0.00 C ATOM 687 C GLU A 49 -1.091 14.616 6.719 1.00 0.00 C ATOM 688 O GLU A 49 -1.993 15.089 7.411 1.00 0.00 O ATOM 689 CB GLU A 49 0.233 12.785 7.768 1.00 0.00 C ATOM 690 CG GLU A 49 0.388 11.269 7.884 1.00 0.00 C ATOM 691 CD GLU A 49 -0.877 10.658 8.477 1.00 0.00 C ATOM 692 OE1 GLU A 49 -1.079 10.806 9.671 1.00 0.00 O ATOM 693 OE2 GLU A 49 -1.624 10.049 7.728 1.00 0.00 O ATOM 0 H GLU A 49 0.633 12.512 5.323 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.749 12.587 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.187 13.238 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.058 13.206 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.583 10.839 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.246 11.030 8.512 1.00 0.00 H new ATOM 700 N ASP A 50 -0.300 15.366 5.951 1.00 0.00 N ATOM 701 CA ASP A 50 -0.468 16.817 5.892 1.00 0.00 C ATOM 702 C ASP A 50 0.108 17.388 4.598 1.00 0.00 C ATOM 703 O ASP A 50 0.936 18.299 4.630 1.00 0.00 O ATOM 704 CB ASP A 50 0.228 17.468 7.088 1.00 0.00 C ATOM 705 CG ASP A 50 -0.025 18.972 7.082 1.00 0.00 C ATOM 706 OD1 ASP A 50 -1.124 19.370 7.434 1.00 0.00 O ATOM 707 OD2 ASP A 50 0.883 19.705 6.726 1.00 0.00 O ATOM 0 H ASP A 50 0.453 14.999 5.369 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.536 17.035 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.142 17.032 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.299 17.271 7.048 1.00 0.00 H new ATOM 712 N LYS A 51 -0.343 16.862 3.463 1.00 0.00 N ATOM 713 CA LYS A 51 0.129 17.344 2.167 1.00 0.00 C ATOM 714 C LYS A 51 -0.885 17.016 1.073 1.00 0.00 C ATOM 715 O LYS A 51 -0.507 16.710 -0.056 1.00 0.00 O ATOM 716 CB LYS A 51 1.486 16.721 1.815 1.00 0.00 C ATOM 717 CG LYS A 51 1.415 15.193 1.940 1.00 0.00 C ATOM 718 CD LYS A 51 2.499 14.547 1.068 1.00 0.00 C ATOM 719 CE LYS A 51 3.878 15.060 1.492 1.00 0.00 C ATOM 720 NZ LYS A 51 4.075 16.448 0.986 1.00 0.00 N ATOM 0 H LYS A 51 -1.029 16.109 3.413 1.00 0.00 H new ATOM 0 HA LYS A 51 0.246 18.426 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.769 16.997 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.257 17.112 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.549 14.898 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.431 14.840 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.459 13.462 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.321 14.780 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.965 15.043 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.657 14.406 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.066 16.574 0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.451 16.612 0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.846 17.128 1.739 1.00 0.00 H new ATOM 734 N SER A 52 -2.168 17.074 1.439 1.00 0.00 N ATOM 735 CA SER A 52 -3.273 16.785 0.518 1.00 0.00 C ATOM 736 C SER A 52 -2.973 17.283 -0.908 1.00 0.00 C ATOM 737 O SER A 52 -2.015 18.013 -1.111 1.00 0.00 O ATOM 738 CB SER A 52 -4.557 17.439 1.062 1.00 0.00 C ATOM 739 OG SER A 52 -5.526 16.428 1.310 1.00 0.00 O ATOM 0 H SER A 52 -2.471 17.322 2.381 1.00 0.00 H new ATOM 0 HA SER A 52 -3.404 15.705 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.341 17.985 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.944 18.162 0.344 1.00 0.00 H new ATOM 0 HG SER A 52 -6.345 16.838 1.658 1.00 0.00 H new ATOM 745 N PRO A 53 -3.784 16.879 -1.879 1.00 0.00 N ATOM 746 CA PRO A 53 -3.634 17.257 -3.336 1.00 0.00 C ATOM 747 C PRO A 53 -3.244 18.719 -3.617 1.00 0.00 C ATOM 748 O PRO A 53 -3.873 19.385 -4.439 1.00 0.00 O ATOM 749 CB PRO A 53 -5.024 16.967 -3.905 1.00 0.00 C ATOM 750 CG PRO A 53 -5.528 15.814 -3.105 1.00 0.00 C ATOM 751 CD PRO A 53 -4.956 15.990 -1.692 1.00 0.00 C ATOM 0 HA PRO A 53 -2.810 16.700 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.680 17.832 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.974 16.721 -4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.618 15.801 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.206 14.868 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.689 16.434 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.664 15.033 -1.259 1.00 0.00 H new ATOM 759 N ASP A 54 -2.210 19.204 -2.946 1.00 0.00 N ATOM 760 CA ASP A 54 -1.734 20.575 -3.132 1.00 0.00 C ATOM 761 C ASP A 54 -0.448 20.545 -3.944 1.00 0.00 C ATOM 762 O ASP A 54 -0.414 20.918 -5.116 1.00 0.00 O ATOM 763 CB ASP A 54 -1.447 21.205 -1.767 1.00 0.00 C ATOM 764 CG ASP A 54 -0.887 22.611 -1.949 1.00 0.00 C ATOM 765 OD1 ASP A 54 -1.242 23.247 -2.929 1.00 0.00 O ATOM 766 OD2 ASP A 54 -0.110 23.031 -1.108 1.00 0.00 O ATOM 0 H ASP A 54 -1.678 18.667 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.493 21.160 -3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.362 21.243 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.736 20.590 -1.216 1.00 0.00 H new ATOM 771 N SER A 55 0.596 20.056 -3.290 1.00 0.00 N ATOM 772 CA SER A 55 1.908 19.909 -3.901 1.00 0.00 C ATOM 773 C SER A 55 1.827 18.789 -4.951 1.00 0.00 C ATOM 774 O SER A 55 0.779 18.154 -5.069 1.00 0.00 O ATOM 775 CB SER A 55 2.899 19.554 -2.769 1.00 0.00 C ATOM 776 OG SER A 55 2.205 19.583 -1.529 1.00 0.00 O ATOM 0 H SER A 55 0.556 19.749 -2.318 1.00 0.00 H new ATOM 0 HA SER A 55 2.241 20.819 -4.399 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.328 18.567 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.727 20.263 -2.755 1.00 0.00 H new ATOM 0 HG SER A 55 2.823 19.358 -0.803 1.00 0.00 H new ATOM 782 N PRO A 56 2.878 18.501 -5.697 1.00 0.00 N ATOM 783 CA PRO A 56 2.840 17.392 -6.703 1.00 0.00 C ATOM 784 C PRO A 56 2.406 16.060 -6.066 1.00 0.00 C ATOM 785 O PRO A 56 2.458 15.017 -6.715 1.00 0.00 O ATOM 786 CB PRO A 56 4.287 17.319 -7.249 1.00 0.00 C ATOM 787 CG PRO A 56 5.120 18.124 -6.298 1.00 0.00 C ATOM 788 CD PRO A 56 4.190 19.176 -5.700 1.00 0.00 C ATOM 0 HA PRO A 56 2.111 17.577 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.635 16.287 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.345 17.723 -8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.542 17.490 -5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.957 18.593 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.498 19.462 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.173 20.086 -6.299 1.00 0.00 H new ATOM 796 N GLU A 57 1.969 16.111 -4.795 1.00 0.00 N ATOM 797 CA GLU A 57 1.510 14.920 -4.071 1.00 0.00 C ATOM 798 C GLU A 57 0.879 13.917 -5.025 1.00 0.00 C ATOM 799 O GLU A 57 1.208 12.740 -5.001 1.00 0.00 O ATOM 800 CB GLU A 57 0.474 15.333 -3.004 1.00 0.00 C ATOM 801 CG GLU A 57 -0.238 14.095 -2.420 1.00 0.00 C ATOM 802 CD GLU A 57 -1.258 14.518 -1.373 1.00 0.00 C ATOM 803 OE1 GLU A 57 -2.341 14.914 -1.762 1.00 0.00 O ATOM 804 OE2 GLU A 57 -0.950 14.426 -0.199 1.00 0.00 O ATOM 0 H GLU A 57 1.925 16.971 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 57 2.371 14.452 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.969 15.884 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.261 16.005 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.734 13.542 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.494 13.423 -1.973 1.00 0.00 H new ATOM 811 N MET A 58 -0.045 14.401 -5.842 1.00 0.00 N ATOM 812 CA MET A 58 -0.736 13.547 -6.794 1.00 0.00 C ATOM 813 C MET A 58 0.247 12.998 -7.821 1.00 0.00 C ATOM 814 O MET A 58 0.253 11.808 -8.122 1.00 0.00 O ATOM 815 CB MET A 58 -1.833 14.342 -7.500 1.00 0.00 C ATOM 816 CG MET A 58 -2.713 15.057 -6.464 1.00 0.00 C ATOM 817 SD MET A 58 -3.797 16.229 -7.316 1.00 0.00 S ATOM 818 CE MET A 58 -2.653 17.631 -7.320 1.00 0.00 C ATOM 0 H MET A 58 -0.333 15.379 -5.864 1.00 0.00 H new ATOM 0 HA MET A 58 -1.185 12.712 -6.257 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.387 15.072 -8.176 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.443 13.674 -8.109 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.307 14.330 -5.909 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.090 15.580 -5.738 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.125 18.484 -7.808 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.398 17.895 -6.294 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.746 17.359 -7.861 1.00 0.00 H new ATOM 828 N LYS A 59 1.091 13.871 -8.346 1.00 0.00 N ATOM 829 CA LYS A 59 2.081 13.453 -9.331 1.00 0.00 C ATOM 830 C LYS A 59 2.963 12.362 -8.749 1.00 0.00 C ATOM 831 O LYS A 59 3.168 11.314 -9.363 1.00 0.00 O ATOM 832 CB LYS A 59 2.945 14.650 -9.745 1.00 0.00 C ATOM 833 CG LYS A 59 2.090 15.685 -10.504 1.00 0.00 C ATOM 834 CD LYS A 59 2.069 15.344 -11.998 1.00 0.00 C ATOM 835 CE LYS A 59 1.169 16.333 -12.739 1.00 0.00 C ATOM 836 NZ LYS A 59 1.386 16.200 -14.207 1.00 0.00 N ATOM 0 H LYS A 59 1.113 14.863 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 59 1.564 13.065 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.388 15.111 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.767 14.313 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.074 15.692 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.496 16.685 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.080 15.383 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.705 14.327 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.124 16.142 -12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.389 17.351 -12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.774 16.873 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.381 16.403 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.155 15.231 -14.506 1.00 0.00 H new ATOM 850 N ASP A 60 3.475 12.614 -7.556 1.00 0.00 N ATOM 851 CA ASP A 60 4.330 11.651 -6.887 1.00 0.00 C ATOM 852 C ASP A 60 3.511 10.466 -6.399 1.00 0.00 C ATOM 853 O ASP A 60 3.965 9.322 -6.453 1.00 0.00 O ATOM 854 CB ASP A 60 5.027 12.319 -5.706 1.00 0.00 C ATOM 855 CG ASP A 60 6.013 11.352 -5.066 1.00 0.00 C ATOM 856 OD1 ASP A 60 6.340 10.363 -5.701 1.00 0.00 O ATOM 857 OD2 ASP A 60 6.430 11.616 -3.950 1.00 0.00 O ATOM 0 H ASP A 60 3.314 13.475 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 60 5.078 11.292 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.550 13.215 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.288 12.638 -4.970 1.00 0.00 H new ATOM 862 N PHE A 61 2.298 10.739 -5.928 1.00 0.00 N ATOM 863 CA PHE A 61 1.438 9.671 -5.442 1.00 0.00 C ATOM 864 C PHE A 61 0.859 8.880 -6.611 1.00 0.00 C ATOM 865 O PHE A 61 1.160 7.700 -6.767 1.00 0.00 O ATOM 866 CB PHE A 61 0.279 10.191 -4.575 1.00 0.00 C ATOM 867 CG PHE A 61 -0.607 9.012 -4.317 1.00 0.00 C ATOM 868 CD1 PHE A 61 -0.201 8.047 -3.397 1.00 0.00 C ATOM 869 CD2 PHE A 61 -1.770 8.834 -5.068 1.00 0.00 C ATOM 870 CE1 PHE A 61 -0.969 6.904 -3.213 1.00 0.00 C ATOM 871 CE2 PHE A 61 -2.527 7.684 -4.900 1.00 0.00 C ATOM 872 CZ PHE A 61 -2.126 6.723 -3.971 1.00 0.00 C ATOM 0 H PHE A 61 1.895 11.675 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 61 2.065 9.031 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.650 10.612 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.266 10.984 -5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.707 8.187 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.079 9.588 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.672 6.161 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.422 7.533 -5.485 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.718 5.829 -3.837 1.00 0.00 H new ATOM 882 N ARG A 62 0.003 9.525 -7.412 1.00 0.00 N ATOM 883 CA ARG A 62 -0.621 8.848 -8.552 1.00 0.00 C ATOM 884 C ARG A 62 0.394 7.938 -9.208 1.00 0.00 C ATOM 885 O ARG A 62 0.097 6.801 -9.547 1.00 0.00 O ATOM 886 CB ARG A 62 -1.154 9.871 -9.561 1.00 0.00 C ATOM 887 CG ARG A 62 -2.167 10.811 -8.874 1.00 0.00 C ATOM 888 CD ARG A 62 -3.574 10.200 -8.900 1.00 0.00 C ATOM 889 NE ARG A 62 -4.241 10.529 -10.154 1.00 0.00 N ATOM 890 CZ ARG A 62 -5.425 10.008 -10.461 1.00 0.00 C ATOM 891 NH1 ARG A 62 -6.011 9.185 -9.636 1.00 0.00 N ATOM 892 NH2 ARG A 62 -6.000 10.319 -11.591 1.00 0.00 N ATOM 0 H ARG A 62 -0.270 10.501 -7.294 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.464 8.254 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.329 10.451 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.631 9.357 -10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.862 10.992 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.175 11.777 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.511 9.118 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.157 10.576 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.791 11.170 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.561 8.940 -8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.919 8.786 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.541 10.961 -12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.908 9.920 -11.828 1.00 0.00 H new ATOM 906 N HIS A 63 1.616 8.422 -9.329 1.00 0.00 N ATOM 907 CA HIS A 63 2.667 7.597 -9.885 1.00 0.00 C ATOM 908 C HIS A 63 3.136 6.629 -8.811 1.00 0.00 C ATOM 909 O HIS A 63 3.323 5.450 -9.068 1.00 0.00 O ATOM 910 CB HIS A 63 3.834 8.463 -10.346 1.00 0.00 C ATOM 911 CG HIS A 63 4.793 7.634 -11.154 1.00 0.00 C ATOM 912 ND1 HIS A 63 6.158 7.638 -10.914 1.00 0.00 N ATOM 913 CD2 HIS A 63 4.600 6.769 -12.204 1.00 0.00 C ATOM 914 CE1 HIS A 63 6.729 6.801 -11.799 1.00 0.00 C ATOM 915 NE2 HIS A 63 5.823 6.245 -12.609 1.00 0.00 N ATOM 0 H HIS A 63 1.900 9.363 -9.056 1.00 0.00 H new ATOM 0 HA HIS A 63 2.287 7.049 -10.747 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.466 9.297 -10.944 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.345 8.890 -9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.644 6.532 -12.647 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.789 6.603 -11.849 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.992 5.579 -13.363 1.00 0.00 H new ATOM 924 N GLY A 64 3.301 7.141 -7.597 1.00 0.00 N ATOM 925 CA GLY A 64 3.733 6.315 -6.478 1.00 0.00 C ATOM 926 C GLY A 64 2.953 5.005 -6.413 1.00 0.00 C ATOM 927 O GLY A 64 3.553 3.932 -6.351 1.00 0.00 O ATOM 0 H GLY A 64 3.143 8.121 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.798 6.101 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.600 6.865 -5.546 1.00 0.00 H new ATOM 931 N PHE A 65 1.619 5.075 -6.429 1.00 0.00 N ATOM 932 CA PHE A 65 0.841 3.840 -6.376 1.00 0.00 C ATOM 933 C PHE A 65 1.115 3.050 -7.655 1.00 0.00 C ATOM 934 O PHE A 65 1.095 1.824 -7.651 1.00 0.00 O ATOM 935 CB PHE A 65 -0.695 4.114 -6.159 1.00 0.00 C ATOM 936 CG PHE A 65 -1.532 3.541 -7.295 1.00 0.00 C ATOM 937 CD1 PHE A 65 -1.407 4.060 -8.588 1.00 0.00 C ATOM 938 CD2 PHE A 65 -2.422 2.485 -7.055 1.00 0.00 C ATOM 939 CE1 PHE A 65 -2.156 3.538 -9.632 1.00 0.00 C ATOM 940 CE2 PHE A 65 -3.178 1.961 -8.109 1.00 0.00 C ATOM 941 CZ PHE A 65 -3.041 2.492 -9.398 1.00 0.00 C ATOM 0 H PHE A 65 1.075 5.937 -6.476 1.00 0.00 H new ATOM 0 HA PHE A 65 1.150 3.250 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.014 3.675 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.867 5.188 -6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.722 4.874 -8.775 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.524 2.077 -6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.052 3.944 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.866 1.148 -7.929 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.624 2.088 -10.212 1.00 0.00 H new ATOM 951 N ASP A 66 1.400 3.773 -8.741 1.00 0.00 N ATOM 952 CA ASP A 66 1.695 3.133 -10.016 1.00 0.00 C ATOM 953 C ASP A 66 3.064 2.458 -9.955 1.00 0.00 C ATOM 954 O ASP A 66 3.279 1.411 -10.564 1.00 0.00 O ATOM 955 CB ASP A 66 1.668 4.168 -11.150 1.00 0.00 C ATOM 956 CG ASP A 66 1.541 3.463 -12.497 1.00 0.00 C ATOM 957 OD1 ASP A 66 2.377 2.623 -12.785 1.00 0.00 O ATOM 958 OD2 ASP A 66 0.610 3.776 -13.221 1.00 0.00 O ATOM 0 H ASP A 66 1.432 4.792 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 66 0.935 2.378 -10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.832 4.853 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.578 4.767 -11.128 1.00 0.00 H new ATOM 963 N ILE A 67 3.980 3.058 -9.196 1.00 0.00 N ATOM 964 CA ILE A 67 5.314 2.496 -9.040 1.00 0.00 C ATOM 965 C ILE A 67 5.203 1.167 -8.324 1.00 0.00 C ATOM 966 O ILE A 67 5.586 0.125 -8.848 1.00 0.00 O ATOM 967 CB ILE A 67 6.200 3.457 -8.228 1.00 0.00 C ATOM 968 CG1 ILE A 67 6.509 4.672 -9.099 1.00 0.00 C ATOM 969 CG2 ILE A 67 7.510 2.762 -7.816 1.00 0.00 C ATOM 970 CD1 ILE A 67 7.304 5.718 -8.308 1.00 0.00 C ATOM 0 H ILE A 67 3.822 3.926 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 67 5.768 2.351 -10.020 1.00 0.00 H new ATOM 0 HB ILE A 67 5.678 3.763 -7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.078 4.362 -9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.580 5.112 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.125 3.456 -7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.282 1.889 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.052 2.449 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.514 6.576 -8.947 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.721 6.042 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.243 5.281 -7.968 1.00 0.00 H new ATOM 982 N LEU A 68 4.654 1.220 -7.124 1.00 0.00 N ATOM 983 CA LEU A 68 4.475 0.012 -6.334 1.00 0.00 C ATOM 984 C LEU A 68 3.724 -1.021 -7.169 1.00 0.00 C ATOM 985 O LEU A 68 4.166 -2.160 -7.316 1.00 0.00 O ATOM 986 CB LEU A 68 3.701 0.338 -5.041 1.00 0.00 C ATOM 987 CG LEU A 68 4.691 0.600 -3.881 1.00 0.00 C ATOM 988 CD1 LEU A 68 5.447 1.907 -4.127 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.941 0.701 -2.552 1.00 0.00 C ATOM 0 H LEU A 68 4.327 2.077 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 68 5.446 -0.395 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.070 1.213 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.040 -0.490 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 68 5.395 -0.231 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.142 2.085 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.001 1.836 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.737 2.732 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.652 0.885 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.225 1.522 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.411 -0.232 -2.362 1.00 0.00 H new ATOM 1001 N VAL A 69 2.593 -0.602 -7.724 1.00 0.00 N ATOM 1002 CA VAL A 69 1.781 -1.468 -8.550 1.00 0.00 C ATOM 1003 C VAL A 69 2.522 -1.821 -9.837 1.00 0.00 C ATOM 1004 O VAL A 69 2.190 -2.798 -10.509 1.00 0.00 O ATOM 1005 CB VAL A 69 0.477 -0.739 -8.864 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -0.336 -1.541 -9.860 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -0.330 -0.558 -7.574 1.00 0.00 C ATOM 0 H VAL A 69 2.221 0.341 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 69 1.569 -2.399 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 69 0.706 0.237 -9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.265 -1.015 -10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.236 -1.666 -10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.564 -2.520 -9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.261 -0.037 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.554 -1.535 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.251 0.027 -6.861 1.00 0.00 H new ATOM 1017 N GLY A 70 3.537 -1.025 -10.168 1.00 0.00 N ATOM 1018 CA GLY A 70 4.329 -1.267 -11.371 1.00 0.00 C ATOM 1019 C GLY A 70 5.416 -2.298 -11.092 1.00 0.00 C ATOM 1020 O GLY A 70 5.792 -3.076 -11.971 1.00 0.00 O ATOM 0 H GLY A 70 3.828 -0.213 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.683 -1.619 -12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.781 -0.335 -11.710 1.00 0.00 H new ATOM 1024 N GLN A 71 5.906 -2.308 -9.855 1.00 0.00 N ATOM 1025 CA GLN A 71 6.939 -3.256 -9.456 1.00 0.00 C ATOM 1026 C GLN A 71 6.287 -4.576 -9.087 1.00 0.00 C ATOM 1027 O GLN A 71 6.702 -5.641 -9.541 1.00 0.00 O ATOM 1028 CB GLN A 71 7.721 -2.703 -8.263 1.00 0.00 C ATOM 1029 CG GLN A 71 8.389 -1.391 -8.668 1.00 0.00 C ATOM 1030 CD GLN A 71 8.857 -0.634 -7.434 1.00 0.00 C ATOM 1031 OE1 GLN A 71 9.971 -0.113 -7.411 1.00 0.00 O ATOM 1032 NE2 GLN A 71 8.073 -0.543 -6.399 1.00 0.00 N ATOM 0 H GLN A 71 5.605 -1.673 -9.116 1.00 0.00 H new ATOM 0 HA GLN A 71 7.631 -3.413 -10.283 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.052 -2.539 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.472 -3.423 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.237 -1.594 -9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.688 -0.778 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.149 -0.975 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.382 -0.039 -5.568 1.00 0.00 H new ATOM 1041 N ILE A 72 5.237 -4.484 -8.278 1.00 0.00 N ATOM 1042 CA ILE A 72 4.487 -5.669 -7.863 1.00 0.00 C ATOM 1043 C ILE A 72 4.308 -6.599 -9.066 1.00 0.00 C ATOM 1044 O ILE A 72 4.563 -7.798 -8.980 1.00 0.00 O ATOM 1045 CB ILE A 72 3.118 -5.225 -7.287 1.00 0.00 C ATOM 1046 CG1 ILE A 72 3.255 -4.901 -5.781 1.00 0.00 C ATOM 1047 CG2 ILE A 72 2.059 -6.327 -7.475 1.00 0.00 C ATOM 1048 CD1 ILE A 72 2.239 -3.825 -5.384 1.00 0.00 C ATOM 0 H ILE A 72 4.885 -3.606 -7.897 1.00 0.00 H new ATOM 0 HA ILE A 72 5.028 -6.212 -7.088 1.00 0.00 H new ATOM 0 HB ILE A 72 2.799 -4.334 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.093 -5.802 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.266 -4.556 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.107 -5.991 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.939 -6.539 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.379 -7.232 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.341 -3.602 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.422 -2.920 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.230 -4.186 -5.583 1.00 0.00 H new ATOM 1060 N ASP A 73 3.891 -6.029 -10.191 1.00 0.00 N ATOM 1061 CA ASP A 73 3.713 -6.818 -11.405 1.00 0.00 C ATOM 1062 C ASP A 73 5.075 -7.294 -11.908 1.00 0.00 C ATOM 1063 O ASP A 73 5.282 -8.484 -12.144 1.00 0.00 O ATOM 1064 CB ASP A 73 3.027 -5.976 -12.485 1.00 0.00 C ATOM 1065 CG ASP A 73 2.710 -6.845 -13.696 1.00 0.00 C ATOM 1066 OD1 ASP A 73 3.235 -7.943 -13.768 1.00 0.00 O ATOM 1067 OD2 ASP A 73 1.945 -6.399 -14.536 1.00 0.00 O ATOM 0 H ASP A 73 3.672 -5.037 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 73 3.086 -7.681 -11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.110 -5.539 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.673 -5.149 -12.779 1.00 0.00 H new ATOM 1072 N ASP A 74 6.002 -6.349 -12.053 1.00 0.00 N ATOM 1073 CA ASP A 74 7.347 -6.661 -12.507 1.00 0.00 C ATOM 1074 C ASP A 74 7.938 -7.768 -11.648 1.00 0.00 C ATOM 1075 O ASP A 74 8.836 -8.495 -12.073 1.00 0.00 O ATOM 1076 CB ASP A 74 8.234 -5.415 -12.401 1.00 0.00 C ATOM 1077 CG ASP A 74 9.482 -5.584 -13.261 1.00 0.00 C ATOM 1078 OD1 ASP A 74 10.424 -6.197 -12.789 1.00 0.00 O ATOM 1079 OD2 ASP A 74 9.477 -5.097 -14.380 1.00 0.00 O ATOM 0 H ASP A 74 5.841 -5.360 -11.861 1.00 0.00 H new ATOM 0 HA ASP A 74 7.301 -6.990 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.678 -4.535 -12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.519 -5.249 -11.362 1.00 0.00 H new ATOM 1084 N ALA A 75 7.432 -7.875 -10.426 1.00 0.00 N ATOM 1085 CA ALA A 75 7.919 -8.880 -9.498 1.00 0.00 C ATOM 1086 C ALA A 75 7.442 -10.268 -9.906 1.00 0.00 C ATOM 1087 O ALA A 75 8.252 -11.177 -10.088 1.00 0.00 O ATOM 1088 CB ALA A 75 7.436 -8.566 -8.084 1.00 0.00 C ATOM 0 H ALA A 75 6.689 -7.281 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 75 9.009 -8.865 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.807 -9.326 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.810 -7.588 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.346 -8.560 -8.065 1.00 0.00 H new ATOM 1094 N LEU A 76 6.128 -10.436 -10.047 1.00 0.00 N ATOM 1095 CA LEU A 76 5.589 -11.734 -10.434 1.00 0.00 C ATOM 1096 C LEU A 76 6.119 -12.137 -11.796 1.00 0.00 C ATOM 1097 O LEU A 76 6.696 -13.201 -11.943 1.00 0.00 O ATOM 1098 CB LEU A 76 4.060 -11.719 -10.488 1.00 0.00 C ATOM 1099 CG LEU A 76 3.527 -13.171 -10.618 1.00 0.00 C ATOM 1100 CD1 LEU A 76 3.340 -13.785 -9.226 1.00 0.00 C ATOM 1101 CD2 LEU A 76 2.174 -13.156 -11.340 1.00 0.00 C ATOM 0 H LEU A 76 5.431 -9.705 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 76 5.906 -12.452 -9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.659 -11.253 -9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.722 -11.120 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 76 4.246 -13.763 -11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.966 -14.804 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.296 -13.799 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.625 -13.189 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.799 -14.175 -11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.464 -12.558 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.296 -12.724 -12.333 1.00 0.00 H new ATOM 1113 N LYS A 77 5.917 -11.285 -12.794 1.00 0.00 N ATOM 1114 CA LYS A 77 6.397 -11.598 -14.143 1.00 0.00 C ATOM 1115 C LYS A 77 7.844 -12.062 -14.071 1.00 0.00 C ATOM 1116 O LYS A 77 8.259 -12.951 -14.814 1.00 0.00 O ATOM 1117 CB LYS A 77 6.183 -10.380 -15.073 1.00 0.00 C ATOM 1118 CG LYS A 77 7.318 -9.337 -14.939 1.00 0.00 C ATOM 1119 CD LYS A 77 8.635 -9.703 -15.687 1.00 0.00 C ATOM 1120 CE LYS A 77 8.409 -10.610 -16.909 1.00 0.00 C ATOM 1121 NZ LYS A 77 7.461 -9.953 -17.855 1.00 0.00 N ATOM 0 H LYS A 77 5.436 -10.390 -12.704 1.00 0.00 H new ATOM 0 HA LYS A 77 5.825 -12.419 -14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.124 -10.720 -16.107 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.229 -9.909 -14.838 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.958 -8.379 -15.314 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.544 -9.200 -13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.128 -8.786 -16.010 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.312 -10.202 -14.993 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.358 -10.807 -17.408 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.011 -11.573 -16.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.623 -10.556 -17.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.170 -9.031 -17.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.928 -9.813 -18.774 1.00 0.00 H new ATOM 1135 N LEU A 78 8.604 -11.506 -13.133 1.00 0.00 N ATOM 1136 CA LEU A 78 9.988 -11.926 -12.960 1.00 0.00 C ATOM 1137 C LEU A 78 10.022 -13.237 -12.174 1.00 0.00 C ATOM 1138 O LEU A 78 10.838 -14.118 -12.444 1.00 0.00 O ATOM 1139 CB LEU A 78 10.779 -10.845 -12.230 1.00 0.00 C ATOM 1140 CG LEU A 78 12.238 -11.285 -12.005 1.00 0.00 C ATOM 1141 CD1 LEU A 78 12.865 -11.853 -13.290 1.00 0.00 C ATOM 1142 CD2 LEU A 78 13.037 -10.065 -11.577 1.00 0.00 C ATOM 0 H LEU A 78 8.292 -10.777 -12.492 1.00 0.00 H new ATOM 0 HA LEU A 78 10.446 -12.082 -13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.759 -9.922 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.308 -10.630 -11.271 1.00 0.00 H new ATOM 0 HG LEU A 78 12.253 -12.066 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.894 -12.152 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.293 -12.719 -13.622 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.853 -11.090 -14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.076 -10.350 -11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.989 -9.306 -12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.620 -9.662 -10.654 1.00 0.00 H new ATOM 1154 N ALA A 79 9.103 -13.368 -11.217 1.00 0.00 N ATOM 1155 CA ALA A 79 9.008 -14.586 -10.415 1.00 0.00 C ATOM 1156 C ALA A 79 8.298 -15.663 -11.224 1.00 0.00 C ATOM 1157 O ALA A 79 8.262 -16.832 -10.842 1.00 0.00 O ATOM 1158 CB ALA A 79 8.238 -14.310 -9.117 1.00 0.00 C ATOM 0 H ALA A 79 8.418 -12.650 -10.980 1.00 0.00 H new ATOM 0 HA ALA A 79 10.011 -14.926 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.175 -15.226 -8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.758 -13.545 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.233 -13.963 -9.357 1.00 0.00 H new ATOM 1164 N ASN A 80 7.751 -15.243 -12.361 1.00 0.00 N ATOM 1165 CA ASN A 80 7.052 -16.142 -13.260 1.00 0.00 C ATOM 1166 C ASN A 80 8.072 -16.742 -14.214 1.00 0.00 C ATOM 1167 O ASN A 80 7.928 -17.869 -14.691 1.00 0.00 O ATOM 1168 CB ASN A 80 5.992 -15.372 -14.054 1.00 0.00 C ATOM 1169 CG ASN A 80 5.025 -16.349 -14.715 1.00 0.00 C ATOM 1170 OD1 ASN A 80 5.451 -17.324 -15.333 1.00 0.00 O ATOM 1171 ND2 ASN A 80 3.740 -16.145 -14.621 1.00 0.00 N ATOM 0 H ASN A 80 7.782 -14.275 -12.680 1.00 0.00 H new ATOM 0 HA ASN A 80 6.554 -16.928 -12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.447 -14.700 -13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.472 -14.753 -14.812 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.087 -16.794 -15.060 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.388 -15.336 -14.108 1.00 0.00 H new ATOM 1178 N GLU A 81 9.120 -15.955 -14.468 1.00 0.00 N ATOM 1179 CA GLU A 81 10.215 -16.352 -15.348 1.00 0.00 C ATOM 1180 C GLU A 81 11.545 -16.113 -14.637 1.00 0.00 C ATOM 1181 O GLU A 81 12.456 -15.498 -15.190 1.00 0.00 O ATOM 1182 CB GLU A 81 10.176 -15.518 -16.632 1.00 0.00 C ATOM 1183 CG GLU A 81 11.006 -16.201 -17.722 1.00 0.00 C ATOM 1184 CD GLU A 81 11.068 -15.313 -18.960 1.00 0.00 C ATOM 1185 OE1 GLU A 81 10.207 -14.460 -19.094 1.00 0.00 O ATOM 1186 OE2 GLU A 81 11.974 -15.501 -19.755 1.00 0.00 O ATOM 0 H GLU A 81 9.231 -15.024 -14.067 1.00 0.00 H new ATOM 0 HA GLU A 81 10.111 -17.408 -15.598 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.146 -15.399 -16.968 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.565 -14.518 -16.439 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.013 -16.398 -17.354 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.565 -17.165 -17.977 1.00 0.00 H new ATOM 1193 N GLY A 82 11.635 -16.579 -13.399 1.00 0.00 N ATOM 1194 CA GLY A 82 12.834 -16.390 -12.599 1.00 0.00 C ATOM 1195 C GLY A 82 12.520 -16.709 -11.141 1.00 0.00 C ATOM 1196 O GLY A 82 12.114 -15.834 -10.382 1.00 0.00 O ATOM 0 H GLY A 82 10.890 -17.091 -12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.633 -17.037 -12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.189 -15.363 -12.691 1.00 0.00 H new ATOM 1200 N LYS A 83 12.660 -17.984 -10.793 1.00 0.00 N ATOM 1201 CA LYS A 83 12.346 -18.487 -9.446 1.00 0.00 C ATOM 1202 C LYS A 83 12.579 -17.453 -8.325 1.00 0.00 C ATOM 1203 O LYS A 83 13.214 -16.411 -8.509 1.00 0.00 O ATOM 1204 CB LYS A 83 13.094 -19.820 -9.184 1.00 0.00 C ATOM 1205 CG LYS A 83 14.485 -19.595 -8.533 1.00 0.00 C ATOM 1206 CD LYS A 83 14.419 -19.892 -7.022 1.00 0.00 C ATOM 1207 CE LYS A 83 14.556 -21.400 -6.777 1.00 0.00 C ATOM 1208 NZ LYS A 83 15.971 -21.812 -6.991 1.00 0.00 N ATOM 0 H LYS A 83 12.994 -18.705 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 83 11.274 -18.680 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.489 -20.452 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.218 -20.356 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.225 -20.241 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.809 -18.567 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.214 -19.357 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.474 -19.533 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.245 -21.644 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.900 -21.950 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.153 -22.703 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.143 -21.949 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.606 -21.073 -6.629 1.00 0.00 H new ATOM 1222 N VAL A 84 12.008 -17.763 -7.163 1.00 0.00 N ATOM 1223 CA VAL A 84 12.063 -16.891 -5.989 1.00 0.00 C ATOM 1224 C VAL A 84 13.425 -16.227 -5.783 1.00 0.00 C ATOM 1225 O VAL A 84 13.493 -15.126 -5.236 1.00 0.00 O ATOM 1226 CB VAL A 84 11.665 -17.681 -4.727 1.00 0.00 C ATOM 1227 CG1 VAL A 84 11.762 -16.771 -3.474 1.00 0.00 C ATOM 1228 CG2 VAL A 84 10.216 -18.201 -4.874 1.00 0.00 C ATOM 0 H VAL A 84 11.492 -18.629 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 84 11.352 -16.085 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 84 12.346 -18.524 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.479 -17.340 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.785 -16.413 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.090 -15.920 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.937 -18.759 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.538 -17.357 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.150 -18.854 -5.745 1.00 0.00 H new ATOM 1238 N LYS A 85 14.500 -16.871 -6.207 1.00 0.00 N ATOM 1239 CA LYS A 85 15.827 -16.270 -6.026 1.00 0.00 C ATOM 1240 C LYS A 85 15.901 -14.923 -6.751 1.00 0.00 C ATOM 1241 O LYS A 85 16.553 -13.988 -6.283 1.00 0.00 O ATOM 1242 CB LYS A 85 16.933 -17.211 -6.551 1.00 0.00 C ATOM 1243 CG LYS A 85 17.339 -18.224 -5.457 1.00 0.00 C ATOM 1244 CD LYS A 85 18.450 -17.634 -4.581 1.00 0.00 C ATOM 1245 CE LYS A 85 18.640 -18.508 -3.340 1.00 0.00 C ATOM 1246 NZ LYS A 85 18.699 -19.940 -3.746 1.00 0.00 N ATOM 0 H LYS A 85 14.492 -17.782 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 85 15.986 -16.111 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.579 -17.742 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.802 -16.628 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.474 -18.474 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.681 -19.151 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.381 -17.578 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.194 -16.616 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.557 -18.228 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.818 -18.350 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.169 -20.493 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.734 -20.301 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.235 -20.028 -4.633 1.00 0.00 H new ATOM 1260 N GLU A 86 15.220 -14.833 -7.888 1.00 0.00 N ATOM 1261 CA GLU A 86 15.208 -13.600 -8.671 1.00 0.00 C ATOM 1262 C GLU A 86 14.158 -12.644 -8.127 1.00 0.00 C ATOM 1263 O GLU A 86 14.293 -11.426 -8.228 1.00 0.00 O ATOM 1264 CB GLU A 86 14.897 -13.905 -10.139 1.00 0.00 C ATOM 1265 CG GLU A 86 15.834 -15.002 -10.651 1.00 0.00 C ATOM 1266 CD GLU A 86 15.805 -15.042 -12.175 1.00 0.00 C ATOM 1267 OE1 GLU A 86 15.692 -13.985 -12.774 1.00 0.00 O ATOM 1268 OE2 GLU A 86 15.897 -16.130 -12.722 1.00 0.00 O ATOM 0 H GLU A 86 14.671 -15.594 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 86 16.193 -13.139 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.860 -14.223 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.015 -13.003 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.850 -14.816 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.531 -15.968 -10.248 1.00 0.00 H new ATOM 1275 N ALA A 87 13.113 -13.214 -7.546 1.00 0.00 N ATOM 1276 CA ALA A 87 12.033 -12.417 -6.975 1.00 0.00 C ATOM 1277 C ALA A 87 12.464 -11.836 -5.633 1.00 0.00 C ATOM 1278 O ALA A 87 12.299 -10.643 -5.379 1.00 0.00 O ATOM 1279 CB ALA A 87 10.775 -13.274 -6.792 1.00 0.00 C ATOM 0 H ALA A 87 12.988 -14.222 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 87 11.805 -11.601 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.979 -12.665 -6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.456 -13.663 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.995 -14.105 -6.122 1.00 0.00 H new ATOM 1285 N GLN A 88 13.027 -12.688 -4.780 1.00 0.00 N ATOM 1286 CA GLN A 88 13.488 -12.246 -3.469 1.00 0.00 C ATOM 1287 C GLN A 88 14.561 -11.173 -3.646 1.00 0.00 C ATOM 1288 O GLN A 88 14.613 -10.200 -2.890 1.00 0.00 O ATOM 1289 CB GLN A 88 13.984 -13.467 -2.648 1.00 0.00 C ATOM 1290 CG GLN A 88 15.504 -13.682 -2.787 1.00 0.00 C ATOM 1291 CD GLN A 88 16.243 -12.778 -1.814 1.00 0.00 C ATOM 1292 OE1 GLN A 88 17.410 -13.010 -1.497 1.00 0.00 O ATOM 1293 NE2 GLN A 88 15.616 -11.755 -1.328 1.00 0.00 N ATOM 0 H GLN A 88 13.174 -13.679 -4.971 1.00 0.00 H new ATOM 0 HA GLN A 88 12.670 -11.797 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.734 -13.322 -1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.460 -14.363 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.753 -14.725 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.819 -13.467 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.649 -11.574 -1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.089 -11.130 -0.675 1.00 0.00 H new ATOM 1302 N ALA A 89 15.395 -11.339 -4.665 1.00 0.00 N ATOM 1303 CA ALA A 89 16.437 -10.365 -4.945 1.00 0.00 C ATOM 1304 C ALA A 89 15.817 -9.152 -5.624 1.00 0.00 C ATOM 1305 O ALA A 89 16.114 -7.996 -5.285 1.00 0.00 O ATOM 1306 CB ALA A 89 17.503 -10.977 -5.856 1.00 0.00 C ATOM 0 H ALA A 89 15.369 -12.133 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 89 16.908 -10.064 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 89 18.277 -10.237 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 89 17.947 -11.843 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 89 17.045 -11.288 -6.795 1.00 0.00 H new ATOM 1312 N ALA A 90 14.934 -9.419 -6.581 1.00 0.00 N ATOM 1313 CA ALA A 90 14.277 -8.334 -7.284 1.00 0.00 C ATOM 1314 C ALA A 90 13.321 -7.605 -6.350 1.00 0.00 C ATOM 1315 O ALA A 90 12.921 -6.481 -6.623 1.00 0.00 O ATOM 1316 CB ALA A 90 13.512 -8.860 -8.492 1.00 0.00 C ATOM 0 H ALA A 90 14.664 -10.356 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 90 15.043 -7.639 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.027 -8.030 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.204 -9.353 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.757 -9.574 -8.162 1.00 0.00 H new ATOM 1322 N ALA A 91 12.967 -8.253 -5.243 1.00 0.00 N ATOM 1323 CA ALA A 91 12.055 -7.653 -4.272 1.00 0.00 C ATOM 1324 C ALA A 91 12.762 -6.590 -3.428 1.00 0.00 C ATOM 1325 O ALA A 91 12.295 -5.450 -3.318 1.00 0.00 O ATOM 1326 CB ALA A 91 11.492 -8.737 -3.352 1.00 0.00 C ATOM 0 H ALA A 91 13.295 -9.187 -4.997 1.00 0.00 H new ATOM 0 HA ALA A 91 11.246 -7.174 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.813 -8.284 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.952 -9.474 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.310 -9.226 -2.823 1.00 0.00 H new ATOM 1332 N GLU A 92 13.882 -6.969 -2.818 1.00 0.00 N ATOM 1333 CA GLU A 92 14.619 -6.034 -1.976 1.00 0.00 C ATOM 1334 C GLU A 92 14.917 -4.733 -2.720 1.00 0.00 C ATOM 1335 O GLU A 92 14.836 -3.647 -2.134 1.00 0.00 O ATOM 1336 CB GLU A 92 15.926 -6.665 -1.485 1.00 0.00 C ATOM 1337 CG GLU A 92 16.615 -7.381 -2.641 1.00 0.00 C ATOM 1338 CD GLU A 92 17.970 -7.914 -2.189 1.00 0.00 C ATOM 1339 OE1 GLU A 92 18.942 -7.185 -2.310 1.00 0.00 O ATOM 1340 OE2 GLU A 92 18.018 -9.043 -1.730 1.00 0.00 O ATOM 0 H GLU A 92 14.293 -7.900 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 92 13.991 -5.801 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 92 16.582 -5.896 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.721 -7.369 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.991 -8.202 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.745 -6.696 -3.479 1.00 0.00 H new ATOM 1347 N GLN A 93 15.264 -4.821 -4.008 1.00 0.00 N ATOM 1348 CA GLN A 93 15.561 -3.594 -4.748 1.00 0.00 C ATOM 1349 C GLN A 93 14.328 -2.695 -4.814 1.00 0.00 C ATOM 1350 O GLN A 93 14.437 -1.508 -5.119 1.00 0.00 O ATOM 1351 CB GLN A 93 16.061 -3.900 -6.159 1.00 0.00 C ATOM 1352 CG GLN A 93 15.128 -4.901 -6.816 1.00 0.00 C ATOM 1353 CD GLN A 93 15.581 -5.178 -8.246 1.00 0.00 C ATOM 1354 OE1 GLN A 93 16.538 -5.921 -8.462 1.00 0.00 O ATOM 1355 NE2 GLN A 93 14.946 -4.622 -9.242 1.00 0.00 N ATOM 0 H GLN A 93 15.344 -5.688 -4.539 1.00 0.00 H new ATOM 0 HA GLN A 93 16.354 -3.071 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.104 -2.984 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.074 -4.301 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.116 -5.829 -6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.109 -4.514 -6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.153 -4.006 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.243 -4.803 -10.201 1.00 0.00 H new ATOM 1364 N LEU A 94 13.156 -3.252 -4.499 1.00 0.00 N ATOM 1365 CA LEU A 94 11.930 -2.453 -4.504 1.00 0.00 C ATOM 1366 C LEU A 94 11.875 -1.627 -3.232 1.00 0.00 C ATOM 1367 O LEU A 94 11.640 -0.419 -3.272 1.00 0.00 O ATOM 1368 CB LEU A 94 10.671 -3.329 -4.574 1.00 0.00 C ATOM 1369 CG LEU A 94 10.745 -4.296 -5.761 1.00 0.00 C ATOM 1370 CD1 LEU A 94 9.406 -5.032 -5.912 1.00 0.00 C ATOM 1371 CD2 LEU A 94 11.058 -3.526 -7.051 1.00 0.00 C ATOM 0 H LEU A 94 13.031 -4.231 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 94 11.951 -1.817 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.562 -3.892 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.788 -2.697 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 94 11.539 -5.020 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.462 -5.719 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.194 -5.593 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.610 -4.308 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.108 -4.223 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.273 -2.792 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.015 -3.015 -6.947 1.00 0.00 H new ATOM 1383 N LYS A 95 12.110 -2.286 -2.100 1.00 0.00 N ATOM 1384 CA LYS A 95 12.096 -1.583 -0.817 1.00 0.00 C ATOM 1385 C LYS A 95 12.948 -0.326 -0.924 1.00 0.00 C ATOM 1386 O LYS A 95 12.650 0.696 -0.312 1.00 0.00 O ATOM 1387 CB LYS A 95 12.644 -2.471 0.316 1.00 0.00 C ATOM 1388 CG LYS A 95 11.889 -3.812 0.416 1.00 0.00 C ATOM 1389 CD LYS A 95 10.380 -3.611 0.243 1.00 0.00 C ATOM 1390 CE LYS A 95 9.649 -4.885 0.666 1.00 0.00 C ATOM 1391 NZ LYS A 95 9.876 -5.126 2.120 1.00 0.00 N ATOM 0 H LYS A 95 12.309 -3.285 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 95 11.064 -1.325 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.703 -2.663 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 95 12.565 -1.939 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.257 -4.498 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.089 -4.274 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.042 -2.767 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.150 -3.374 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.582 -4.790 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.009 -5.734 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.061 -5.635 2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.736 -5.696 2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.989 -4.215 2.609 1.00 0.00 H new ATOM 1405 N THR A 96 14.005 -0.403 -1.717 1.00 0.00 N ATOM 1406 CA THR A 96 14.879 0.750 -1.903 1.00 0.00 C ATOM 1407 C THR A 96 14.205 1.788 -2.797 1.00 0.00 C ATOM 1408 O THR A 96 14.304 2.990 -2.558 1.00 0.00 O ATOM 1409 CB THR A 96 16.188 0.310 -2.550 1.00 0.00 C ATOM 1410 OG1 THR A 96 16.644 -0.886 -1.933 1.00 0.00 O ATOM 1411 CG2 THR A 96 17.243 1.408 -2.387 1.00 0.00 C ATOM 0 H THR A 96 14.278 -1.237 -2.236 1.00 0.00 H new ATOM 0 HA THR A 96 15.081 1.191 -0.927 1.00 0.00 H new ATOM 0 HB THR A 96 16.021 0.130 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.484 -1.169 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 96 18.176 1.088 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.894 2.322 -2.867 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.411 1.596 -1.327 1.00 0.00 H new ATOM 1419 N THR A 97 13.530 1.310 -3.839 1.00 0.00 N ATOM 1420 CA THR A 97 12.855 2.200 -4.773 1.00 0.00 C ATOM 1421 C THR A 97 11.820 3.058 -4.055 1.00 0.00 C ATOM 1422 O THR A 97 11.805 4.286 -4.201 1.00 0.00 O ATOM 1423 CB THR A 97 12.169 1.387 -5.874 1.00 0.00 C ATOM 1424 OG1 THR A 97 13.110 0.494 -6.455 1.00 0.00 O ATOM 1425 CG2 THR A 97 11.628 2.333 -6.948 1.00 0.00 C ATOM 0 H THR A 97 13.437 0.318 -4.055 1.00 0.00 H new ATOM 0 HA THR A 97 13.605 2.855 -5.217 1.00 0.00 H new ATOM 0 HB THR A 97 11.343 0.818 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.321 -0.220 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.140 1.753 -7.731 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.907 3.017 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.451 2.903 -7.378 1.00 0.00 H new ATOM 1433 N ILE A 98 10.955 2.421 -3.272 1.00 0.00 N ATOM 1434 CA ILE A 98 9.942 3.176 -2.556 1.00 0.00 C ATOM 1435 C ILE A 98 10.612 4.106 -1.569 1.00 0.00 C ATOM 1436 O ILE A 98 10.066 5.150 -1.219 1.00 0.00 O ATOM 1437 CB ILE A 98 8.949 2.247 -1.825 1.00 0.00 C ATOM 1438 CG1 ILE A 98 9.528 1.757 -0.484 1.00 0.00 C ATOM 1439 CG2 ILE A 98 8.645 1.038 -2.711 1.00 0.00 C ATOM 1440 CD1 ILE A 98 8.559 0.761 0.155 1.00 0.00 C ATOM 0 H ILE A 98 10.936 1.412 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 98 9.372 3.757 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 98 8.038 2.810 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.498 1.286 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.691 2.602 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.944 0.379 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.206 1.376 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.568 0.496 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.968 0.414 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.599 1.248 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.418 -0.089 -0.512 1.00 0.00 H new ATOM 1452 N ARG A 99 11.796 3.717 -1.100 1.00 0.00 N ATOM 1453 CA ARG A 99 12.487 4.545 -0.132 1.00 0.00 C ATOM 1454 C ARG A 99 12.913 5.845 -0.779 1.00 0.00 C ATOM 1455 O ARG A 99 13.049 6.863 -0.109 1.00 0.00 O ATOM 1456 CB ARG A 99 13.691 3.812 0.468 1.00 0.00 C ATOM 1457 CG ARG A 99 14.348 4.682 1.553 1.00 0.00 C ATOM 1458 CD ARG A 99 13.333 5.039 2.658 1.00 0.00 C ATOM 1459 NE ARG A 99 14.006 5.114 3.951 1.00 0.00 N ATOM 1460 CZ ARG A 99 14.439 4.019 4.566 1.00 0.00 C ATOM 1461 NH1 ARG A 99 14.257 2.848 4.019 1.00 0.00 N ATOM 1462 NH2 ARG A 99 15.045 4.113 5.719 1.00 0.00 N ATOM 0 H ARG A 99 12.280 2.860 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 99 11.801 4.767 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 99 13.372 2.861 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.415 3.583 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.194 4.151 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.741 5.595 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.857 5.993 2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.543 4.289 2.693 1.00 0.00 H new ATOM 0 HE ARG A 99 14.146 6.024 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.782 2.774 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.590 2.007 4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.186 5.028 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.377 3.272 6.191 1.00 0.00 H new ATOM 1476 N ALA A 100 13.071 5.823 -2.092 1.00 0.00 N ATOM 1477 CA ALA A 100 13.415 7.039 -2.800 1.00 0.00 C ATOM 1478 C ALA A 100 12.193 7.931 -2.764 1.00 0.00 C ATOM 1479 O ALA A 100 12.293 9.141 -2.592 1.00 0.00 O ATOM 1480 CB ALA A 100 13.805 6.731 -4.248 1.00 0.00 C ATOM 0 H ALA A 100 12.969 4.994 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 100 14.270 7.527 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.060 7.658 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.666 6.062 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.968 6.253 -4.756 1.00 0.00 H new ATOM 1486 N TYR A 101 11.028 7.300 -2.882 1.00 0.00 N ATOM 1487 CA TYR A 101 9.767 8.025 -2.825 1.00 0.00 C ATOM 1488 C TYR A 101 9.458 8.384 -1.365 1.00 0.00 C ATOM 1489 O TYR A 101 9.140 9.534 -1.044 1.00 0.00 O ATOM 1490 CB TYR A 101 8.649 7.150 -3.446 1.00 0.00 C ATOM 1491 CG TYR A 101 7.305 7.439 -2.802 1.00 0.00 C ATOM 1492 CD1 TYR A 101 6.655 8.650 -3.056 1.00 0.00 C ATOM 1493 CD2 TYR A 101 6.718 6.495 -1.950 1.00 0.00 C ATOM 1494 CE1 TYR A 101 5.417 8.920 -2.460 1.00 0.00 C ATOM 1495 CE2 TYR A 101 5.481 6.764 -1.354 1.00 0.00 C ATOM 1496 CZ TYR A 101 4.830 7.977 -1.608 1.00 0.00 C ATOM 1497 OH TYR A 101 3.610 8.242 -1.018 1.00 0.00 O ATOM 0 H TYR A 101 10.933 6.293 -3.017 1.00 0.00 H new ATOM 0 HA TYR A 101 9.830 8.951 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.590 7.338 -4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 101 8.896 6.096 -3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.108 9.378 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.220 5.559 -1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.915 9.856 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.028 6.036 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 101 3.346 7.482 -0.458 1.00 0.00 H new ATOM 1507 N ASN A 102 9.561 7.384 -0.494 1.00 0.00 N ATOM 1508 CA ASN A 102 9.296 7.574 0.926 1.00 0.00 C ATOM 1509 C ASN A 102 10.238 8.620 1.514 1.00 0.00 C ATOM 1510 O ASN A 102 9.830 9.453 2.322 1.00 0.00 O ATOM 1511 CB ASN A 102 9.476 6.229 1.663 1.00 0.00 C ATOM 1512 CG ASN A 102 8.529 6.135 2.851 1.00 0.00 C ATOM 1513 OD1 ASN A 102 8.959 6.189 4.003 1.00 0.00 O ATOM 1514 ND2 ASN A 102 7.259 5.997 2.628 1.00 0.00 N ATOM 0 H ASN A 102 9.827 6.433 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 102 8.272 7.927 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.288 5.404 0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.506 6.131 2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.608 5.932 3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.911 5.953 1.670 1.00 0.00 H new ATOM 1521 N GLN A 103 11.499 8.562 1.104 1.00 0.00 N ATOM 1522 CA GLN A 103 12.496 9.500 1.597 1.00 0.00 C ATOM 1523 C GLN A 103 12.368 10.829 0.882 1.00 0.00 C ATOM 1524 O GLN A 103 12.531 11.889 1.486 1.00 0.00 O ATOM 1525 CB GLN A 103 13.898 8.949 1.356 1.00 0.00 C ATOM 1526 CG GLN A 103 14.940 9.850 2.028 1.00 0.00 C ATOM 1527 CD GLN A 103 16.266 9.105 2.157 1.00 0.00 C ATOM 1528 OE1 GLN A 103 16.834 9.035 3.248 1.00 0.00 O ATOM 1529 NE2 GLN A 103 16.795 8.542 1.106 1.00 0.00 N ATOM 0 H GLN A 103 11.853 7.878 0.435 1.00 0.00 H new ATOM 0 HA GLN A 103 12.331 9.642 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 103 13.972 7.936 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 103 14.094 8.888 0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 103 15.079 10.759 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 103 14.588 10.156 3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 103 16.323 8.601 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 103 17.681 8.042 1.186 1.00 0.00 H new ATOM 1538 N LYS A 104 12.076 10.767 -0.417 1.00 0.00 N ATOM 1539 CA LYS A 104 11.929 11.990 -1.208 1.00 0.00 C ATOM 1540 C LYS A 104 11.132 13.011 -0.406 1.00 0.00 C ATOM 1541 O LYS A 104 11.527 14.170 -0.277 1.00 0.00 O ATOM 1542 CB LYS A 104 11.218 11.690 -2.548 1.00 0.00 C ATOM 1543 CG LYS A 104 10.542 12.961 -3.116 1.00 0.00 C ATOM 1544 CD LYS A 104 10.415 12.854 -4.639 1.00 0.00 C ATOM 1545 CE LYS A 104 9.626 11.593 -5.000 1.00 0.00 C ATOM 1546 NZ LYS A 104 9.178 11.676 -6.419 1.00 0.00 N ATOM 0 H LYS A 104 11.939 9.900 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 104 12.917 12.392 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.940 11.305 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.470 10.911 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.556 13.088 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.127 13.842 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.912 13.736 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.404 12.819 -5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.247 10.709 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.764 11.489 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.268 11.184 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.066 12.674 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.887 11.228 -7.034 1.00 0.00 H new ATOM 1560 N TYR A 105 10.003 12.558 0.128 1.00 0.00 N ATOM 1561 CA TYR A 105 9.132 13.424 0.925 1.00 0.00 C ATOM 1562 C TYR A 105 9.346 13.156 2.413 1.00 0.00 C ATOM 1563 O TYR A 105 9.108 14.026 3.251 1.00 0.00 O ATOM 1564 CB TYR A 105 7.652 13.168 0.543 1.00 0.00 C ATOM 1565 CG TYR A 105 7.145 14.297 -0.340 1.00 0.00 C ATOM 1566 CD1 TYR A 105 7.097 15.604 0.161 1.00 0.00 C ATOM 1567 CD2 TYR A 105 6.744 14.040 -1.657 1.00 0.00 C ATOM 1568 CE1 TYR A 105 6.647 16.649 -0.654 1.00 0.00 C ATOM 1569 CE2 TYR A 105 6.298 15.085 -2.471 1.00 0.00 C ATOM 1570 CZ TYR A 105 6.248 16.390 -1.969 1.00 0.00 C ATOM 1571 OH TYR A 105 5.808 17.421 -2.775 1.00 0.00 O ATOM 0 H TYR A 105 9.668 11.600 0.026 1.00 0.00 H new ATOM 0 HA TYR A 105 9.378 14.466 0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.561 12.216 0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.042 13.096 1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.407 15.805 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.779 13.032 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.608 17.656 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 105 5.992 14.885 -3.487 1.00 0.00 H new ATOM 0 HH TYR A 105 6.252 18.254 -2.512 1.00 0.00 H new ATOM 1581 N GLY A 106 9.790 11.947 2.731 1.00 0.00 N ATOM 1582 CA GLY A 106 10.024 11.574 4.118 1.00 0.00 C ATOM 1583 C GLY A 106 10.746 12.686 4.871 1.00 0.00 C ATOM 1584 O GLY A 106 10.723 12.660 6.091 1.00 0.00 O ATOM 1585 OXT GLY A 106 11.309 13.548 4.218 1.00 0.00 O ATOM 0 H GLY A 106 9.994 11.213 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.073 11.359 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.617 10.660 4.157 1.00 0.00 H new