USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 44 HIS :FLIP no HD1:sc= -0.25 F(o=-1.4,f=-0.15) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.101 K(o=-0.15,f=-1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -108:sc= 0.917 (180deg=-1.61) USER MOD Single : A 26 ASN : amide:sc= 0.136 K(o=0.14,f=-4.6!) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.538 USER MOD Single : A 29 GLN : amide:sc= 0.477 K(o=0.48,f=-0.56) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -0.101 (180deg=-2.32!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -9:sc= -0.0767 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0177 (180deg=-0.222) USER MOD Single : A 50 ASN : amide:sc= -0.715 X(o=-0.71,f=-0.82) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc=-0.00366 (180deg=-0.075) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -68:sc= 1.24 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.042 (180deg=-0.249) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -1.13! (180deg=-1.5!) USER MOD Single : A 74 TYR OH : rot 98:sc= 0.608 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 16 11.106 21.286 -22.400 1.00 0.00 N ATOM 242 CA THR A 16 12.317 22.046 -22.293 1.00 0.00 C ATOM 243 C THR A 16 13.191 21.521 -21.167 1.00 0.00 C ATOM 244 O THR A 16 12.848 20.540 -20.521 1.00 0.00 O ATOM 245 CB THR A 16 12.039 23.568 -22.135 1.00 0.00 C ATOM 246 OG1 THR A 16 13.263 24.310 -22.173 1.00 0.00 O ATOM 247 CG2 THR A 16 11.301 23.868 -20.835 1.00 0.00 C ATOM 0 HA THR A 16 12.862 21.921 -23.228 1.00 0.00 H new ATOM 0 HB THR A 16 11.406 23.872 -22.969 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.069 25.266 -22.074 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.123 24.941 -20.757 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.347 23.340 -20.828 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.904 23.538 -19.989 1.00 0.00 H new ATOM 255 N TYR A 17 14.307 22.184 -20.934 1.00 0.00 N ATOM 256 CA TYR A 17 15.258 21.778 -19.902 1.00 0.00 C ATOM 257 C TYR A 17 14.606 21.792 -18.543 1.00 0.00 C ATOM 258 O TYR A 17 14.926 20.979 -17.688 1.00 0.00 O ATOM 259 CB TYR A 17 16.493 22.682 -19.920 1.00 0.00 C ATOM 260 CG TYR A 17 17.320 22.539 -21.187 1.00 0.00 C ATOM 261 CD1 TYR A 17 16.997 23.248 -22.336 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.413 21.684 -21.237 1.00 0.00 C ATOM 263 CE1 TYR A 17 17.737 23.109 -23.497 1.00 0.00 C ATOM 264 CE2 TYR A 17 19.161 21.542 -22.392 1.00 0.00 C ATOM 265 CZ TYR A 17 18.817 22.257 -23.519 1.00 0.00 C ATOM 266 OH TYR A 17 19.556 22.118 -24.677 1.00 0.00 O ATOM 0 H TYR A 17 14.585 23.018 -21.450 1.00 0.00 H new ATOM 0 HA TYR A 17 15.579 20.758 -20.115 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.177 23.720 -19.815 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.118 22.450 -19.058 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.152 23.921 -22.324 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.684 21.119 -20.357 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.468 23.667 -24.382 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.010 20.875 -22.411 1.00 0.00 H new ATOM 0 HH TYR A 17 20.284 21.480 -24.526 1.00 0.00 H new ATOM 276 N TYR A 18 13.668 22.701 -18.354 1.00 0.00 N ATOM 277 CA TYR A 18 12.954 22.788 -17.120 1.00 0.00 C ATOM 278 C TYR A 18 12.051 21.565 -16.975 1.00 0.00 C ATOM 279 O TYR A 18 11.899 21.015 -15.891 1.00 0.00 O ATOM 280 CB TYR A 18 12.124 24.068 -17.084 1.00 0.00 C ATOM 281 CG TYR A 18 12.914 25.354 -17.301 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.297 25.390 -17.147 1.00 0.00 C ATOM 283 CD2 TYR A 18 12.269 26.533 -17.667 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.009 26.558 -17.346 1.00 0.00 C ATOM 285 CE2 TYR A 18 12.979 27.707 -17.867 1.00 0.00 C ATOM 286 CZ TYR A 18 14.349 27.710 -17.706 1.00 0.00 C ATOM 287 OH TYR A 18 15.061 28.869 -17.902 1.00 0.00 O ATOM 0 H TYR A 18 13.390 23.389 -19.053 1.00 0.00 H new ATOM 0 HA TYR A 18 13.661 22.814 -16.291 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.349 24.002 -17.847 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.618 24.128 -16.120 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.823 24.489 -16.867 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.197 26.533 -17.797 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.081 26.566 -17.219 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.463 28.613 -18.147 1.00 0.00 H new ATOM 0 HH TYR A 18 14.448 29.591 -18.153 1.00 0.00 H new ATOM 297 N ASP A 19 11.457 21.151 -18.097 1.00 0.00 N ATOM 298 CA ASP A 19 10.593 19.968 -18.141 1.00 0.00 C ATOM 299 C ASP A 19 11.414 18.695 -17.925 1.00 0.00 C ATOM 300 O ASP A 19 11.031 17.818 -17.153 1.00 0.00 O ATOM 301 CB ASP A 19 9.859 19.896 -19.494 1.00 0.00 C ATOM 302 CG ASP A 19 8.764 18.829 -19.522 1.00 0.00 C ATOM 303 OD1 ASP A 19 9.081 17.624 -19.454 1.00 0.00 O ATOM 304 OD2 ASP A 19 7.580 19.201 -19.617 1.00 0.00 O ATOM 0 H ASP A 19 11.560 21.623 -18.995 1.00 0.00 H new ATOM 0 HA ASP A 19 9.857 20.049 -17.341 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.418 20.868 -19.714 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.582 19.688 -20.283 1.00 0.00 H new ATOM 309 N VAL A 20 12.557 18.621 -18.599 1.00 0.00 N ATOM 310 CA VAL A 20 13.463 17.477 -18.499 1.00 0.00 C ATOM 311 C VAL A 20 13.955 17.313 -17.072 1.00 0.00 C ATOM 312 O VAL A 20 14.017 16.207 -16.539 1.00 0.00 O ATOM 313 CB VAL A 20 14.688 17.651 -19.420 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.609 16.470 -19.312 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.262 17.853 -20.853 1.00 0.00 C ATOM 0 H VAL A 20 12.884 19.352 -19.231 1.00 0.00 H new ATOM 0 HA VAL A 20 12.903 16.594 -18.807 1.00 0.00 H new ATOM 0 HB VAL A 20 15.226 18.541 -19.094 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.466 16.615 -19.970 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.955 16.371 -18.283 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.076 15.565 -19.604 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.144 17.973 -21.481 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.693 16.986 -21.189 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.641 18.746 -20.926 1.00 0.00 H new ATOM 325 N LEU A 21 14.294 18.426 -16.470 1.00 0.00 N ATOM 326 CA LEU A 21 14.826 18.437 -15.120 1.00 0.00 C ATOM 327 C LEU A 21 13.685 18.392 -14.109 1.00 0.00 C ATOM 328 O LEU A 21 13.909 18.242 -12.913 1.00 0.00 O ATOM 329 CB LEU A 21 15.689 19.694 -14.919 1.00 0.00 C ATOM 330 CG LEU A 21 16.560 19.712 -13.669 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.647 18.658 -13.756 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.161 21.085 -13.444 1.00 0.00 C ATOM 0 H LEU A 21 14.211 19.349 -16.896 1.00 0.00 H new ATOM 0 HA LEU A 21 15.450 17.557 -14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.335 19.811 -15.790 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.031 20.562 -14.892 1.00 0.00 H new ATOM 0 HG LEU A 21 15.925 19.479 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.257 18.689 -12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.191 17.673 -13.853 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.275 18.854 -14.625 1.00 0.00 H new ATOM 0 HD21 LEU A 21 17.778 21.069 -12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.776 21.358 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.362 21.817 -13.323 1.00 0.00 H new ATOM 344 N GLY A 22 12.452 18.494 -14.609 1.00 0.00 N ATOM 345 CA GLY A 22 11.286 18.414 -13.755 1.00 0.00 C ATOM 346 C GLY A 22 11.269 19.494 -12.701 1.00 0.00 C ATOM 347 O GLY A 22 10.900 19.250 -11.547 1.00 0.00 O ATOM 0 H GLY A 22 12.245 18.632 -15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.386 18.492 -14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.260 17.438 -13.271 1.00 0.00 H new ATOM 351 N VAL A 23 11.646 20.688 -13.092 1.00 0.00 N ATOM 352 CA VAL A 23 11.749 21.771 -12.159 1.00 0.00 C ATOM 353 C VAL A 23 10.857 22.929 -12.588 1.00 0.00 C ATOM 354 O VAL A 23 10.310 22.927 -13.695 1.00 0.00 O ATOM 355 CB VAL A 23 13.220 22.237 -12.024 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.572 23.314 -13.039 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.525 22.669 -10.603 1.00 0.00 C ATOM 0 H VAL A 23 11.886 20.929 -14.054 1.00 0.00 H new ATOM 0 HA VAL A 23 11.412 21.419 -11.184 1.00 0.00 H new ATOM 0 HB VAL A 23 13.858 21.383 -12.250 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.613 23.611 -12.908 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.430 22.924 -14.047 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.926 24.179 -12.890 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.564 22.991 -10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.870 23.495 -10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.360 21.832 -9.925 1.00 0.00 H new ATOM 367 N LYS A 24 10.702 23.902 -11.716 1.00 0.00 N ATOM 368 CA LYS A 24 9.850 25.033 -11.988 1.00 0.00 C ATOM 369 C LYS A 24 10.627 26.097 -12.759 1.00 0.00 C ATOM 370 O LYS A 24 11.852 26.174 -12.666 1.00 0.00 O ATOM 371 CB LYS A 24 9.317 25.624 -10.682 1.00 0.00 C ATOM 372 CG LYS A 24 8.571 24.635 -9.794 1.00 0.00 C ATOM 373 CD LYS A 24 8.215 25.260 -8.456 1.00 0.00 C ATOM 374 CE LYS A 24 7.877 24.200 -7.430 1.00 0.00 C ATOM 375 NZ LYS A 24 9.008 23.251 -7.230 1.00 0.00 N ATOM 0 H LYS A 24 11.161 23.929 -10.805 1.00 0.00 H new ATOM 0 HA LYS A 24 9.007 24.697 -12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.153 26.039 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.650 26.453 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.663 24.304 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.187 23.750 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.050 25.862 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.367 25.933 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.629 24.677 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.992 23.650 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.769 22.332 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.864 23.630 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.182 23.128 -6.212 1.00 0.00 H new ATOM 389 N PRO A 25 9.927 26.934 -13.525 1.00 0.00 N ATOM 390 CA PRO A 25 10.555 28.002 -14.314 1.00 0.00 C ATOM 391 C PRO A 25 11.194 29.063 -13.423 1.00 0.00 C ATOM 392 O PRO A 25 12.054 29.823 -13.863 1.00 0.00 O ATOM 393 CB PRO A 25 9.384 28.617 -15.089 1.00 0.00 C ATOM 394 CG PRO A 25 8.296 27.601 -15.019 1.00 0.00 C ATOM 395 CD PRO A 25 8.479 26.902 -13.705 1.00 0.00 C ATOM 0 HA PRO A 25 11.353 27.620 -14.950 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.070 29.562 -14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.662 28.827 -16.122 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.315 28.073 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.363 26.898 -15.849 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.959 27.416 -12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.097 25.882 -13.732 1.00 0.00 H new ATOM 403 N ASN A 26 10.783 29.092 -12.166 1.00 0.00 N ATOM 404 CA ASN A 26 11.267 30.072 -11.224 1.00 0.00 C ATOM 405 C ASN A 26 12.000 29.390 -10.090 1.00 0.00 C ATOM 406 O ASN A 26 12.213 29.978 -9.027 1.00 0.00 O ATOM 407 CB ASN A 26 10.109 30.912 -10.678 1.00 0.00 C ATOM 408 CG ASN A 26 9.091 30.110 -9.883 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.871 28.921 -10.131 1.00 0.00 O ATOM 410 ND2 ASN A 26 8.454 30.756 -8.929 1.00 0.00 N ATOM 0 H ASN A 26 10.106 28.436 -11.776 1.00 0.00 H new ATOM 0 HA ASN A 26 11.960 30.736 -11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.512 31.701 -10.043 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.603 31.401 -11.510 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.753 30.274 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.662 31.739 -8.752 1.00 0.00 H new ATOM 417 N ALA A 27 12.385 28.151 -10.325 1.00 0.00 N ATOM 418 CA ALA A 27 13.087 27.369 -9.346 1.00 0.00 C ATOM 419 C ALA A 27 14.443 27.969 -9.060 1.00 0.00 C ATOM 420 O ALA A 27 15.071 28.576 -9.938 1.00 0.00 O ATOM 421 CB ALA A 27 13.212 25.960 -9.844 1.00 0.00 C ATOM 0 H ALA A 27 12.216 27.664 -11.205 1.00 0.00 H new ATOM 0 HA ALA A 27 12.528 27.366 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.744 25.359 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.218 25.541 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.764 25.954 -10.784 1.00 0.00 H new ATOM 427 N THR A 28 14.885 27.808 -7.844 1.00 0.00 N ATOM 428 CA THR A 28 16.128 28.378 -7.410 1.00 0.00 C ATOM 429 C THR A 28 17.284 27.561 -7.839 1.00 0.00 C ATOM 430 O THR A 28 17.132 26.426 -8.274 1.00 0.00 O ATOM 431 CB THR A 28 16.164 28.501 -5.893 1.00 0.00 C ATOM 432 OG1 THR A 28 16.148 27.194 -5.298 1.00 0.00 O ATOM 433 CG2 THR A 28 14.965 29.248 -5.435 1.00 0.00 C ATOM 0 H THR A 28 14.392 27.277 -7.126 1.00 0.00 H new ATOM 0 HA THR A 28 16.197 29.364 -7.869 1.00 0.00 H new ATOM 0 HB THR A 28 17.072 29.027 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.856 27.263 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.986 29.339 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.963 30.242 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.065 28.712 -5.737 1.00 0.00 H new ATOM 441 N GLN A 29 18.448 28.143 -7.725 1.00 0.00 N ATOM 442 CA GLN A 29 19.670 27.437 -7.996 1.00 0.00 C ATOM 443 C GLN A 29 19.744 26.185 -7.122 1.00 0.00 C ATOM 444 O GLN A 29 20.292 25.156 -7.520 1.00 0.00 O ATOM 445 CB GLN A 29 20.854 28.349 -7.753 1.00 0.00 C ATOM 446 CG GLN A 29 22.192 27.723 -8.087 1.00 0.00 C ATOM 447 CD GLN A 29 23.350 28.666 -7.865 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.300 29.540 -6.995 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.406 28.487 -8.638 1.00 0.00 N ATOM 0 H GLN A 29 18.575 29.115 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 29 19.693 27.126 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.730 29.255 -8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.857 28.652 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.333 26.831 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.187 27.399 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.402 27.751 -9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.225 29.085 -8.529 1.00 0.00 H new ATOM 458 N GLU A 30 19.167 26.291 -5.931 1.00 0.00 N ATOM 459 CA GLU A 30 19.092 25.182 -5.007 1.00 0.00 C ATOM 460 C GLU A 30 18.126 24.137 -5.547 1.00 0.00 C ATOM 461 O GLU A 30 18.423 22.944 -5.557 1.00 0.00 O ATOM 462 CB GLU A 30 18.599 25.674 -3.648 1.00 0.00 C ATOM 463 CG GLU A 30 18.581 24.602 -2.573 1.00 0.00 C ATOM 464 CD GLU A 30 17.979 25.091 -1.279 1.00 0.00 C ATOM 465 OE1 GLU A 30 16.744 25.028 -1.138 1.00 0.00 O ATOM 466 OE2 GLU A 30 18.737 25.542 -0.396 1.00 0.00 O ATOM 0 H GLU A 30 18.740 27.150 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 30 20.082 24.741 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.235 26.495 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.593 26.077 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.015 23.742 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.599 24.259 -2.389 1.00 0.00 H new ATOM 473 N GLU A 31 16.971 24.610 -6.020 1.00 0.00 N ATOM 474 CA GLU A 31 15.949 23.758 -6.540 1.00 0.00 C ATOM 475 C GLU A 31 16.404 23.058 -7.816 1.00 0.00 C ATOM 476 O GLU A 31 16.085 21.889 -8.041 1.00 0.00 O ATOM 477 CB GLU A 31 14.645 24.539 -6.753 1.00 0.00 C ATOM 478 CG GLU A 31 13.520 23.648 -7.239 1.00 0.00 C ATOM 479 CD GLU A 31 12.132 24.206 -6.985 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.794 24.457 -5.807 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.356 24.357 -7.944 1.00 0.00 O ATOM 0 H GLU A 31 16.736 25.602 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 31 15.751 22.979 -5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.351 25.015 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.814 25.336 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.641 23.479 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.604 22.677 -6.751 1.00 0.00 H new ATOM 488 N LEU A 32 17.156 23.771 -8.633 1.00 0.00 N ATOM 489 CA LEU A 32 17.691 23.219 -9.869 1.00 0.00 C ATOM 490 C LEU A 32 18.619 22.030 -9.573 1.00 0.00 C ATOM 491 O LEU A 32 18.522 20.971 -10.205 1.00 0.00 O ATOM 492 CB LEU A 32 18.447 24.305 -10.636 1.00 0.00 C ATOM 493 CG LEU A 32 17.598 25.273 -11.477 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.145 25.267 -11.046 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.146 26.685 -11.400 1.00 0.00 C ATOM 0 H LEU A 32 17.414 24.743 -8.463 1.00 0.00 H new ATOM 0 HA LEU A 32 16.863 22.861 -10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 32 19.022 24.891 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.164 23.818 -11.297 1.00 0.00 H new ATOM 0 HG LEU A 32 17.651 24.925 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.579 25.964 -11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.735 24.264 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.074 25.569 -10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.527 27.349 -12.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.137 27.023 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.169 26.700 -11.777 1.00 0.00 H new ATOM 507 N LYS A 33 19.500 22.212 -8.585 1.00 0.00 N ATOM 508 CA LYS A 33 20.404 21.155 -8.140 1.00 0.00 C ATOM 509 C LYS A 33 19.603 20.006 -7.520 1.00 0.00 C ATOM 510 O LYS A 33 19.913 18.827 -7.722 1.00 0.00 O ATOM 511 CB LYS A 33 21.426 21.713 -7.131 1.00 0.00 C ATOM 512 CG LYS A 33 22.404 22.734 -7.722 1.00 0.00 C ATOM 513 CD LYS A 33 23.345 23.291 -6.650 1.00 0.00 C ATOM 514 CE LYS A 33 24.265 24.389 -7.195 1.00 0.00 C ATOM 515 NZ LYS A 33 25.284 23.872 -8.154 1.00 0.00 N ATOM 0 H LYS A 33 19.604 23.090 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 33 20.950 20.772 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.887 22.179 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.995 20.883 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.989 22.265 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.847 23.551 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.756 23.691 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.951 22.480 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 33 23.661 25.149 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.772 24.877 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.232 23.966 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.093 22.870 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.239 24.419 -9.037 1.00 0.00 H new ATOM 529 N LYS A 34 18.572 20.376 -6.763 1.00 0.00 N ATOM 530 CA LYS A 34 17.690 19.423 -6.093 1.00 0.00 C ATOM 531 C LYS A 34 16.974 18.522 -7.101 1.00 0.00 C ATOM 532 O LYS A 34 16.873 17.310 -6.892 1.00 0.00 O ATOM 533 CB LYS A 34 16.667 20.183 -5.242 1.00 0.00 C ATOM 534 CG LYS A 34 15.709 19.298 -4.464 1.00 0.00 C ATOM 535 CD LYS A 34 14.733 20.140 -3.658 1.00 0.00 C ATOM 536 CE LYS A 34 13.767 19.274 -2.866 1.00 0.00 C ATOM 537 NZ LYS A 34 12.810 20.092 -2.084 1.00 0.00 N ATOM 0 H LYS A 34 18.324 21.351 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 34 18.297 18.785 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.202 20.822 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.088 20.838 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.160 18.655 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.271 18.645 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.286 20.786 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.173 20.791 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.218 18.625 -3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.328 18.627 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.168 19.466 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.333 20.693 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.257 20.691 -2.730 1.00 0.00 H new ATOM 551 N ALA A 35 16.475 19.119 -8.183 1.00 0.00 N ATOM 552 CA ALA A 35 15.784 18.366 -9.231 1.00 0.00 C ATOM 553 C ALA A 35 16.697 17.297 -9.786 1.00 0.00 C ATOM 554 O ALA A 35 16.312 16.136 -9.896 1.00 0.00 O ATOM 555 CB ALA A 35 15.334 19.297 -10.352 1.00 0.00 C ATOM 0 H ALA A 35 16.536 20.122 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 35 14.903 17.895 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.822 18.719 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.654 20.048 -9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.204 19.790 -10.787 1.00 0.00 H new ATOM 561 N TYR A 36 17.921 17.691 -10.089 1.00 0.00 N ATOM 562 CA TYR A 36 18.909 16.772 -10.624 1.00 0.00 C ATOM 563 C TYR A 36 19.151 15.615 -9.675 1.00 0.00 C ATOM 564 O TYR A 36 19.198 14.461 -10.093 1.00 0.00 O ATOM 565 CB TYR A 36 20.218 17.504 -10.897 1.00 0.00 C ATOM 566 CG TYR A 36 21.355 16.602 -11.321 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.420 16.088 -12.607 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.370 16.272 -10.431 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.463 15.274 -12.998 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.415 15.458 -10.810 1.00 0.00 C ATOM 571 CZ TYR A 36 23.459 14.961 -12.094 1.00 0.00 C ATOM 572 OH TYR A 36 24.504 14.148 -12.479 1.00 0.00 O ATOM 0 H TYR A 36 18.256 18.647 -9.973 1.00 0.00 H new ATOM 0 HA TYR A 36 18.521 16.370 -11.560 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.050 18.248 -11.675 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.514 18.044 -9.998 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.641 16.329 -13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.339 16.661 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.500 14.884 -14.004 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.195 15.211 -10.105 1.00 0.00 H new ATOM 0 HH TYR A 36 24.315 13.768 -13.362 1.00 0.00 H new ATOM 582 N ARG A 37 19.298 15.928 -8.399 1.00 0.00 N ATOM 583 CA ARG A 37 19.541 14.907 -7.390 1.00 0.00 C ATOM 584 C ARG A 37 18.401 13.883 -7.342 1.00 0.00 C ATOM 585 O ARG A 37 18.643 12.675 -7.303 1.00 0.00 O ATOM 586 CB ARG A 37 19.730 15.555 -6.015 1.00 0.00 C ATOM 587 CG ARG A 37 20.018 14.565 -4.900 1.00 0.00 C ATOM 588 CD ARG A 37 20.227 15.275 -3.575 1.00 0.00 C ATOM 589 NE ARG A 37 20.396 14.333 -2.469 1.00 0.00 N ATOM 590 CZ ARG A 37 20.556 14.691 -1.193 1.00 0.00 C ATOM 591 NH1 ARG A 37 20.635 15.975 -0.866 1.00 0.00 N ATOM 592 NH2 ARG A 37 20.642 13.759 -0.250 1.00 0.00 N ATOM 0 H ARG A 37 19.254 16.880 -8.036 1.00 0.00 H new ATOM 0 HA ARG A 37 20.454 14.378 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.550 16.271 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.831 16.118 -5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.190 13.862 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.906 13.983 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.106 15.917 -3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.374 15.923 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 37 20.391 13.337 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.573 16.690 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.757 16.246 0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.586 12.772 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.764 14.030 0.726 1.00 0.00 H new ATOM 606 N LYS A 38 17.168 14.368 -7.373 1.00 0.00 N ATOM 607 CA LYS A 38 16.005 13.491 -7.307 1.00 0.00 C ATOM 608 C LYS A 38 15.931 12.574 -8.542 1.00 0.00 C ATOM 609 O LYS A 38 15.693 11.355 -8.430 1.00 0.00 O ATOM 610 CB LYS A 38 14.724 14.325 -7.168 1.00 0.00 C ATOM 611 CG LYS A 38 13.464 13.498 -6.955 1.00 0.00 C ATOM 612 CD LYS A 38 12.246 14.388 -6.755 1.00 0.00 C ATOM 613 CE LYS A 38 10.989 13.566 -6.514 1.00 0.00 C ATOM 614 NZ LYS A 38 9.799 14.426 -6.295 1.00 0.00 N ATOM 0 H LYS A 38 16.946 15.361 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 38 16.104 12.853 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.840 15.013 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.600 14.933 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.304 12.847 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.592 12.853 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.415 15.053 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.107 15.019 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.813 12.913 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.137 12.923 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.963 13.828 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.956 15.031 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.642 15.022 -7.133 1.00 0.00 H new ATOM 628 N LEU A 39 16.150 13.160 -9.713 1.00 0.00 N ATOM 629 CA LEU A 39 16.111 12.415 -10.968 1.00 0.00 C ATOM 630 C LEU A 39 17.221 11.402 -11.015 1.00 0.00 C ATOM 631 O LEU A 39 17.034 10.286 -11.487 1.00 0.00 O ATOM 632 CB LEU A 39 16.246 13.345 -12.137 1.00 0.00 C ATOM 633 CG LEU A 39 15.304 14.520 -12.134 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.527 15.387 -13.354 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.854 14.068 -12.039 1.00 0.00 C ATOM 0 H LEU A 39 16.357 14.153 -9.821 1.00 0.00 H new ATOM 0 HA LEU A 39 15.151 11.902 -11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.269 13.720 -12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.089 12.776 -13.053 1.00 0.00 H new ATOM 0 HG LEU A 39 15.518 15.119 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.836 16.230 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.552 15.758 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.353 14.799 -14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.200 14.940 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.614 13.434 -12.893 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.708 13.505 -11.117 1.00 0.00 H new ATOM 647 N ALA A 40 18.377 11.804 -10.519 1.00 0.00 N ATOM 648 CA ALA A 40 19.554 10.939 -10.486 1.00 0.00 C ATOM 649 C ALA A 40 19.275 9.661 -9.724 1.00 0.00 C ATOM 650 O ALA A 40 19.771 8.598 -10.074 1.00 0.00 O ATOM 651 CB ALA A 40 20.748 11.665 -9.883 1.00 0.00 C ATOM 0 H ALA A 40 18.532 12.733 -10.128 1.00 0.00 H new ATOM 0 HA ALA A 40 19.795 10.675 -11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.611 10.999 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.979 12.546 -10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.511 11.971 -8.864 1.00 0.00 H new ATOM 657 N LEU A 41 18.493 9.778 -8.682 1.00 0.00 N ATOM 658 CA LEU A 41 18.109 8.645 -7.884 1.00 0.00 C ATOM 659 C LEU A 41 17.260 7.665 -8.704 1.00 0.00 C ATOM 660 O LEU A 41 17.469 6.456 -8.659 1.00 0.00 O ATOM 661 CB LEU A 41 17.313 9.136 -6.688 1.00 0.00 C ATOM 662 CG LEU A 41 18.077 10.011 -5.695 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.135 10.561 -4.644 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.208 9.231 -5.043 1.00 0.00 C ATOM 0 H LEU A 41 18.104 10.665 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 41 19.006 8.122 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.454 9.699 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.923 8.269 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 41 18.514 10.846 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.694 11.182 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.363 11.161 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.669 9.736 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.737 9.875 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.798 8.373 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.901 8.885 -5.810 1.00 0.00 H new ATOM 676 N LYS A 42 16.303 8.205 -9.455 1.00 0.00 N ATOM 677 CA LYS A 42 15.404 7.398 -10.264 1.00 0.00 C ATOM 678 C LYS A 42 16.063 6.852 -11.538 1.00 0.00 C ATOM 679 O LYS A 42 15.948 5.669 -11.844 1.00 0.00 O ATOM 680 CB LYS A 42 14.167 8.217 -10.618 1.00 0.00 C ATOM 681 CG LYS A 42 13.014 8.023 -9.652 1.00 0.00 C ATOM 682 CD LYS A 42 13.349 8.545 -8.260 1.00 0.00 C ATOM 683 CE LYS A 42 12.204 8.307 -7.291 1.00 0.00 C ATOM 684 NZ LYS A 42 12.546 8.738 -5.911 1.00 0.00 N ATOM 0 H LYS A 42 16.132 9.209 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 42 15.125 6.530 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.436 9.273 -10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.838 7.948 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.131 8.538 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.764 6.964 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.249 8.052 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.568 9.611 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.322 8.848 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.946 7.248 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.738 8.559 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.372 8.203 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.767 9.754 -5.909 1.00 0.00 H new ATOM 698 N TYR A 43 16.761 7.709 -12.255 1.00 0.00 N ATOM 699 CA TYR A 43 17.381 7.331 -13.537 1.00 0.00 C ATOM 700 C TYR A 43 18.862 7.052 -13.386 1.00 0.00 C ATOM 701 O TYR A 43 19.618 7.214 -14.338 1.00 0.00 O ATOM 702 CB TYR A 43 17.160 8.413 -14.619 1.00 0.00 C ATOM 703 CG TYR A 43 15.708 8.645 -14.980 1.00 0.00 C ATOM 704 CD1 TYR A 43 15.051 7.793 -15.858 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.998 9.715 -14.452 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.731 7.998 -16.198 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.673 9.929 -14.789 1.00 0.00 C ATOM 708 CZ TYR A 43 13.046 9.066 -15.664 1.00 0.00 C ATOM 709 OH TYR A 43 11.725 9.271 -16.007 1.00 0.00 O ATOM 0 H TYR A 43 16.921 8.679 -11.982 1.00 0.00 H new ATOM 0 HA TYR A 43 16.889 6.413 -13.858 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.590 9.352 -14.271 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.705 8.127 -15.519 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.584 6.955 -16.282 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.488 10.391 -13.767 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.236 7.323 -16.881 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.134 10.766 -14.370 1.00 0.00 H new ATOM 0 HH TYR A 43 11.386 10.066 -15.544 1.00 0.00 H new ATOM 719 N HIS A 44 19.268 6.641 -12.182 1.00 0.00 N ATOM 720 CA HIS A 44 20.655 6.296 -11.887 1.00 0.00 C ATOM 721 C HIS A 44 21.272 5.419 -12.976 1.00 0.00 C ATOM 722 O HIS A 44 20.978 4.230 -13.065 1.00 0.00 O ATOM 723 CB HIS A 44 20.776 5.609 -10.497 1.00 0.00 C ATOM 724 CG HIS A 44 19.788 4.492 -10.203 1.00 0.00 C ATOM 725 ND1 HIS A 44 18.631 4.114 -10.809 1.00 0.00 N flip ATOM 726 CD2 HIS A 44 19.941 3.635 -9.136 1.00 0.00 C flip ATOM 727 CE1 HIS A 44 18.125 3.056 -10.096 1.00 0.00 C flip ATOM 728 NE2 HIS A 44 18.930 2.788 -9.096 1.00 0.00 N flip ATOM 0 H HIS A 44 18.640 6.539 -11.385 1.00 0.00 H new ATOM 0 HA HIS A 44 21.217 7.230 -11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 44 21.784 5.206 -10.403 1.00 0.00 H new ATOM 0 HB3 HIS A 44 20.665 6.373 -9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 44 20.764 3.653 -8.437 1.00 0.00 H new ATOM 0 HE1 HIS A 44 17.210 2.529 -10.322 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.797 2.050 -8.405 1.00 0.00 H new ATOM 736 N PRO A 45 22.164 6.006 -13.813 1.00 0.00 N ATOM 737 CA PRO A 45 22.806 5.293 -14.917 1.00 0.00 C ATOM 738 C PRO A 45 23.739 4.213 -14.415 1.00 0.00 C ATOM 739 O PRO A 45 24.100 3.293 -15.143 1.00 0.00 O ATOM 740 CB PRO A 45 23.583 6.373 -15.675 1.00 0.00 C ATOM 741 CG PRO A 45 23.150 7.681 -15.096 1.00 0.00 C ATOM 742 CD PRO A 45 22.630 7.398 -13.719 1.00 0.00 C ATOM 0 HA PRO A 45 22.077 4.783 -15.547 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.658 6.233 -15.560 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.369 6.330 -16.743 1.00 0.00 H new ATOM 0 HG2 PRO A 45 23.985 8.381 -15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 45 22.378 8.140 -15.713 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.408 7.512 -12.964 1.00 0.00 H new ATOM 0 HD3 PRO A 45 21.821 8.076 -13.447 1.00 0.00 H new ATOM 750 N ASP A 46 24.120 4.340 -13.156 1.00 0.00 N ATOM 751 CA ASP A 46 24.996 3.388 -12.500 1.00 0.00 C ATOM 752 C ASP A 46 24.326 2.030 -12.404 1.00 0.00 C ATOM 753 O ASP A 46 24.986 0.987 -12.488 1.00 0.00 O ATOM 754 CB ASP A 46 25.357 3.884 -11.102 1.00 0.00 C ATOM 755 CG ASP A 46 26.107 5.192 -11.132 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.310 5.185 -11.434 1.00 0.00 O ATOM 757 OD2 ASP A 46 25.487 6.244 -10.862 1.00 0.00 O ATOM 0 H ASP A 46 23.828 5.112 -12.557 1.00 0.00 H new ATOM 0 HA ASP A 46 25.906 3.291 -13.092 1.00 0.00 H new ATOM 0 HB2 ASP A 46 24.446 4.004 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.964 3.132 -10.598 1.00 0.00 H new ATOM 762 N LYS A 47 23.014 2.038 -12.204 1.00 0.00 N ATOM 763 CA LYS A 47 22.262 0.805 -12.115 1.00 0.00 C ATOM 764 C LYS A 47 21.418 0.597 -13.371 1.00 0.00 C ATOM 765 O LYS A 47 21.174 -0.535 -13.790 1.00 0.00 O ATOM 766 CB LYS A 47 21.367 0.800 -10.879 1.00 0.00 C ATOM 767 CG LYS A 47 20.786 -0.577 -10.578 1.00 0.00 C ATOM 768 CD LYS A 47 19.970 -0.587 -9.300 1.00 0.00 C ATOM 769 CE LYS A 47 19.393 -1.973 -9.030 1.00 0.00 C ATOM 770 NZ LYS A 47 20.456 -2.996 -8.836 1.00 0.00 N ATOM 0 H LYS A 47 22.455 2.885 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 47 22.975 -0.015 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.941 1.143 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.552 1.510 -11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.158 -0.895 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.596 -1.301 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.596 -0.280 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.161 0.139 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.761 -1.935 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.755 -2.268 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.036 -3.862 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.901 -3.212 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.174 -2.630 -8.179 1.00 0.00 H new ATOM 784 N ASN A 48 20.983 1.693 -13.971 1.00 0.00 N ATOM 785 CA ASN A 48 20.172 1.640 -15.182 1.00 0.00 C ATOM 786 C ASN A 48 20.851 2.385 -16.311 1.00 0.00 C ATOM 787 O ASN A 48 20.601 3.568 -16.535 1.00 0.00 O ATOM 788 CB ASN A 48 18.781 2.224 -14.951 1.00 0.00 C ATOM 789 CG ASN A 48 17.936 1.408 -13.990 1.00 0.00 C ATOM 790 OD1 ASN A 48 18.082 1.504 -12.771 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.014 0.645 -14.532 1.00 0.00 N ATOM 0 H ASN A 48 21.178 2.637 -13.638 1.00 0.00 H new ATOM 0 HA ASN A 48 20.064 0.590 -15.454 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.881 3.238 -14.564 1.00 0.00 H new ATOM 0 HB3 ASN A 48 18.262 2.297 -15.907 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.386 0.104 -13.938 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.926 0.594 -15.547 1.00 0.00 H new ATOM 798 N PRO A 49 21.733 1.703 -17.022 1.00 0.00 N ATOM 799 CA PRO A 49 22.446 2.260 -18.146 1.00 0.00 C ATOM 800 C PRO A 49 21.497 2.608 -19.285 1.00 0.00 C ATOM 801 O PRO A 49 21.768 3.489 -20.097 1.00 0.00 O ATOM 802 CB PRO A 49 23.380 1.129 -18.554 1.00 0.00 C ATOM 803 CG PRO A 49 22.743 -0.077 -18.035 1.00 0.00 C ATOM 804 CD PRO A 49 22.095 0.332 -16.782 1.00 0.00 C ATOM 0 HA PRO A 49 22.965 3.187 -17.902 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.496 1.082 -19.637 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.376 1.265 -18.132 1.00 0.00 H new ATOM 0 HG2 PRO A 49 22.015 -0.472 -18.743 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.476 -0.864 -17.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 21.221 -0.281 -16.564 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.771 0.238 -15.932 1.00 0.00 H new ATOM 812 N ASN A 50 20.372 1.914 -19.318 1.00 0.00 N ATOM 813 CA ASN A 50 19.355 2.136 -20.328 1.00 0.00 C ATOM 814 C ASN A 50 18.488 3.350 -19.981 1.00 0.00 C ATOM 815 O ASN A 50 17.844 3.929 -20.856 1.00 0.00 O ATOM 816 CB ASN A 50 18.505 0.874 -20.512 1.00 0.00 C ATOM 817 CG ASN A 50 17.956 0.341 -19.208 1.00 0.00 C ATOM 818 OD1 ASN A 50 18.623 -0.417 -18.505 1.00 0.00 O ATOM 819 ND2 ASN A 50 16.751 0.721 -18.880 1.00 0.00 N ATOM 0 H ASN A 50 20.140 1.183 -18.646 1.00 0.00 H new ATOM 0 HA ASN A 50 19.850 2.353 -21.275 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.677 1.094 -21.186 1.00 0.00 H new ATOM 0 HB3 ASN A 50 19.108 0.102 -20.989 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.330 0.388 -18.013 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.231 1.351 -19.491 1.00 0.00 H new ATOM 826 N GLU A 51 18.492 3.747 -18.703 1.00 0.00 N ATOM 827 CA GLU A 51 17.766 4.959 -18.284 1.00 0.00 C ATOM 828 C GLU A 51 18.672 6.186 -18.377 1.00 0.00 C ATOM 829 O GLU A 51 18.211 7.323 -18.273 1.00 0.00 O ATOM 830 CB GLU A 51 17.195 4.832 -16.853 1.00 0.00 C ATOM 831 CG GLU A 51 15.731 4.395 -16.786 1.00 0.00 C ATOM 832 CD GLU A 51 15.472 3.026 -17.371 1.00 0.00 C ATOM 833 OE1 GLU A 51 15.707 2.018 -16.673 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.995 2.950 -18.527 1.00 0.00 O ATOM 0 H GLU A 51 18.979 3.260 -17.951 1.00 0.00 H new ATOM 0 HA GLU A 51 16.924 5.078 -18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.800 4.115 -16.297 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.297 5.793 -16.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.408 4.401 -15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.119 5.126 -17.314 1.00 0.00 H new ATOM 841 N GLY A 52 19.967 5.943 -18.603 1.00 0.00 N ATOM 842 CA GLY A 52 20.928 7.017 -18.751 1.00 0.00 C ATOM 843 C GLY A 52 20.664 7.847 -19.991 1.00 0.00 C ATOM 844 O GLY A 52 21.128 8.981 -20.099 1.00 0.00 O ATOM 0 H GLY A 52 20.365 5.007 -18.686 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.893 7.659 -17.871 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.934 6.600 -18.801 1.00 0.00 H new ATOM 848 N GLU A 53 19.917 7.274 -20.928 1.00 0.00 N ATOM 849 CA GLU A 53 19.567 7.951 -22.169 1.00 0.00 C ATOM 850 C GLU A 53 18.815 9.249 -21.869 1.00 0.00 C ATOM 851 O GLU A 53 19.170 10.315 -22.378 1.00 0.00 O ATOM 852 CB GLU A 53 18.707 7.019 -23.025 1.00 0.00 C ATOM 853 CG GLU A 53 18.354 7.563 -24.396 1.00 0.00 C ATOM 854 CD GLU A 53 17.545 6.574 -25.200 1.00 0.00 C ATOM 855 OE1 GLU A 53 17.992 5.419 -25.345 1.00 0.00 O ATOM 856 OE2 GLU A 53 16.459 6.939 -25.688 1.00 0.00 O ATOM 0 H GLU A 53 19.539 6.330 -20.848 1.00 0.00 H new ATOM 0 HA GLU A 53 20.476 8.203 -22.715 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.234 6.073 -23.149 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.784 6.802 -22.487 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.790 8.489 -24.285 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.268 7.809 -24.936 1.00 0.00 H new ATOM 863 N LYS A 54 17.790 9.160 -21.029 1.00 0.00 N ATOM 864 CA LYS A 54 17.067 10.329 -20.595 1.00 0.00 C ATOM 865 C LYS A 54 17.937 11.211 -19.724 1.00 0.00 C ATOM 866 O LYS A 54 17.792 12.433 -19.702 1.00 0.00 O ATOM 867 CB LYS A 54 15.785 9.956 -19.880 1.00 0.00 C ATOM 868 CG LYS A 54 14.665 9.534 -20.820 1.00 0.00 C ATOM 869 CD LYS A 54 13.398 9.273 -20.052 1.00 0.00 C ATOM 870 CE LYS A 54 12.246 8.871 -20.971 1.00 0.00 C ATOM 871 NZ LYS A 54 11.828 9.982 -21.878 1.00 0.00 N ATOM 0 H LYS A 54 17.447 8.282 -20.639 1.00 0.00 H new ATOM 0 HA LYS A 54 16.793 10.895 -21.485 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.990 9.142 -19.184 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.449 10.806 -19.286 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.493 10.314 -21.562 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.958 8.636 -21.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.573 8.483 -19.322 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.121 10.167 -19.494 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.545 8.010 -21.569 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.394 8.559 -20.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.952 9.716 -22.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.663 10.843 -21.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.578 10.161 -22.576 1.00 0.00 H new ATOM 885 N PHE A 55 18.851 10.578 -19.009 1.00 0.00 N ATOM 886 CA PHE A 55 19.748 11.276 -18.105 1.00 0.00 C ATOM 887 C PHE A 55 20.696 12.206 -18.872 1.00 0.00 C ATOM 888 O PHE A 55 21.191 13.185 -18.320 1.00 0.00 O ATOM 889 CB PHE A 55 20.536 10.268 -17.253 1.00 0.00 C ATOM 890 CG PHE A 55 21.293 10.873 -16.104 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.648 11.159 -14.911 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.648 11.143 -16.209 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.340 11.702 -13.848 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.344 11.689 -15.149 1.00 0.00 C ATOM 895 CZ PHE A 55 22.689 11.966 -13.966 1.00 0.00 C ATOM 0 H PHE A 55 18.992 9.568 -19.039 1.00 0.00 H new ATOM 0 HA PHE A 55 19.147 11.896 -17.440 1.00 0.00 H new ATOM 0 HB2 PHE A 55 19.843 9.523 -16.862 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.240 9.741 -17.897 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.592 10.955 -14.812 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.166 10.924 -17.131 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.826 11.920 -12.924 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.399 11.899 -15.245 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.232 12.389 -13.134 1.00 0.00 H new ATOM 905 N LYS A 56 20.941 11.901 -20.143 1.00 0.00 N ATOM 906 CA LYS A 56 21.765 12.763 -20.981 1.00 0.00 C ATOM 907 C LYS A 56 21.126 14.148 -21.063 1.00 0.00 C ATOM 908 O LYS A 56 21.813 15.171 -20.967 1.00 0.00 O ATOM 909 CB LYS A 56 21.919 12.159 -22.388 1.00 0.00 C ATOM 910 CG LYS A 56 22.734 10.868 -22.434 1.00 0.00 C ATOM 911 CD LYS A 56 24.197 11.124 -22.105 1.00 0.00 C ATOM 912 CE LYS A 56 25.007 9.840 -22.145 1.00 0.00 C ATOM 913 NZ LYS A 56 26.447 10.084 -21.889 1.00 0.00 N ATOM 0 H LYS A 56 20.583 11.069 -20.612 1.00 0.00 H new ATOM 0 HA LYS A 56 22.758 12.850 -20.539 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.928 11.963 -22.797 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.392 12.896 -23.037 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.321 10.149 -21.726 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.655 10.421 -23.425 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.611 11.840 -22.815 1.00 0.00 H new ATOM 0 HD3 LYS A 56 24.276 11.575 -21.116 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.619 9.143 -21.402 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.887 9.366 -23.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.964 9.182 -21.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.824 10.728 -22.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.565 10.513 -20.949 1.00 0.00 H new ATOM 927 N GLN A 57 19.804 14.160 -21.217 1.00 0.00 N ATOM 928 CA GLN A 57 19.021 15.370 -21.246 1.00 0.00 C ATOM 929 C GLN A 57 19.089 16.076 -19.901 1.00 0.00 C ATOM 930 O GLN A 57 19.250 17.297 -19.828 1.00 0.00 O ATOM 931 CB GLN A 57 17.586 15.000 -21.537 1.00 0.00 C ATOM 932 CG GLN A 57 17.363 14.407 -22.906 1.00 0.00 C ATOM 933 CD GLN A 57 15.904 14.103 -23.193 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.375 13.067 -22.788 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.254 14.994 -23.917 1.00 0.00 N ATOM 0 H GLN A 57 19.249 13.311 -21.326 1.00 0.00 H new ATOM 0 HA GLN A 57 19.412 16.038 -22.013 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.247 14.287 -20.785 1.00 0.00 H new ATOM 0 HB3 GLN A 57 16.966 15.890 -21.434 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.739 15.098 -23.660 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.944 13.489 -22.997 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.729 15.839 -24.233 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.276 14.837 -24.161 1.00 0.00 H new ATOM 944 N ILE A 58 18.982 15.290 -18.845 1.00 0.00 N ATOM 945 CA ILE A 58 18.993 15.801 -17.487 1.00 0.00 C ATOM 946 C ILE A 58 20.324 16.473 -17.185 1.00 0.00 C ATOM 947 O ILE A 58 20.374 17.560 -16.608 1.00 0.00 O ATOM 948 CB ILE A 58 18.752 14.657 -16.473 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.341 14.110 -16.616 1.00 0.00 C ATOM 950 CG2 ILE A 58 18.981 15.137 -15.068 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.079 12.861 -15.798 1.00 0.00 C ATOM 0 H ILE A 58 18.885 14.276 -18.906 1.00 0.00 H new ATOM 0 HA ILE A 58 18.191 16.533 -17.394 1.00 0.00 H new ATOM 0 HB ILE A 58 19.462 13.857 -16.686 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.631 14.882 -16.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.152 13.890 -17.667 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.806 14.318 -14.371 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.008 15.488 -14.966 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.295 15.955 -14.846 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.051 12.533 -15.954 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.763 12.072 -16.110 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.234 13.079 -14.741 1.00 0.00 H new ATOM 963 N SER A 59 21.394 15.827 -17.597 1.00 0.00 N ATOM 964 CA SER A 59 22.729 16.327 -17.376 1.00 0.00 C ATOM 965 C SER A 59 22.930 17.699 -18.039 1.00 0.00 C ATOM 966 O SER A 59 23.592 18.565 -17.482 1.00 0.00 O ATOM 967 CB SER A 59 23.766 15.318 -17.886 1.00 0.00 C ATOM 968 OG SER A 59 25.093 15.761 -17.633 1.00 0.00 O ATOM 0 H SER A 59 21.360 14.938 -18.096 1.00 0.00 H new ATOM 0 HA SER A 59 22.868 16.458 -16.303 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.605 14.354 -17.403 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.630 15.165 -18.957 1.00 0.00 H new ATOM 0 HG SER A 59 25.730 15.096 -17.968 1.00 0.00 H new ATOM 974 N GLN A 60 22.369 17.878 -19.239 1.00 0.00 N ATOM 975 CA GLN A 60 22.474 19.131 -19.965 1.00 0.00 C ATOM 976 C GLN A 60 21.804 20.259 -19.193 1.00 0.00 C ATOM 977 O GLN A 60 22.421 21.307 -18.925 1.00 0.00 O ATOM 978 CB GLN A 60 21.802 18.975 -21.303 1.00 0.00 C ATOM 979 CG GLN A 60 22.422 17.918 -22.192 1.00 0.00 C ATOM 980 CD GLN A 60 21.677 17.751 -23.505 1.00 0.00 C ATOM 981 OE1 GLN A 60 21.137 18.710 -24.053 1.00 0.00 O ATOM 982 NE2 GLN A 60 21.637 16.533 -24.012 1.00 0.00 N ATOM 0 H GLN A 60 21.834 17.158 -19.725 1.00 0.00 H new ATOM 0 HA GLN A 60 23.527 19.379 -20.095 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.752 18.728 -21.143 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.829 19.932 -21.824 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.459 18.184 -22.398 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.436 16.965 -21.662 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.098 15.763 -23.527 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.145 16.362 -24.889 1.00 0.00 H new ATOM 991 N ALA A 61 20.550 20.031 -18.817 1.00 0.00 N ATOM 992 CA ALA A 61 19.787 21.009 -18.053 1.00 0.00 C ATOM 993 C ALA A 61 20.510 21.324 -16.776 1.00 0.00 C ATOM 994 O ALA A 61 20.667 22.475 -16.427 1.00 0.00 O ATOM 995 CB ALA A 61 18.380 20.478 -17.758 1.00 0.00 C ATOM 0 H ALA A 61 20.040 19.174 -19.030 1.00 0.00 H new ATOM 0 HA ALA A 61 19.688 21.922 -18.640 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.823 21.221 -17.187 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.862 20.279 -18.696 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.453 19.556 -17.181 1.00 0.00 H new ATOM 1001 N TYR A 62 20.995 20.299 -16.109 1.00 0.00 N ATOM 1002 CA TYR A 62 21.720 20.481 -14.874 1.00 0.00 C ATOM 1003 C TYR A 62 22.967 21.324 -15.069 1.00 0.00 C ATOM 1004 O TYR A 62 23.238 22.206 -14.268 1.00 0.00 O ATOM 1005 CB TYR A 62 22.093 19.139 -14.247 1.00 0.00 C ATOM 1006 CG TYR A 62 22.954 19.276 -13.004 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.428 19.782 -11.822 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.292 18.899 -13.016 1.00 0.00 C ATOM 1009 CE1 TYR A 62 23.209 19.909 -10.689 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.080 19.024 -11.885 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.532 19.531 -10.725 1.00 0.00 C ATOM 1012 OH TYR A 62 25.310 19.662 -9.597 1.00 0.00 O ATOM 0 H TYR A 62 20.899 19.327 -16.404 1.00 0.00 H new ATOM 0 HA TYR A 62 21.053 21.013 -14.195 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.181 18.599 -13.991 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.624 18.537 -14.984 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.391 20.081 -11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.724 18.502 -13.923 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.783 20.303 -9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.118 18.726 -11.911 1.00 0.00 H new ATOM 0 HH TYR A 62 26.219 19.350 -9.788 1.00 0.00 H new ATOM 1022 N GLU A 63 23.708 21.072 -16.144 1.00 0.00 N ATOM 1023 CA GLU A 63 24.977 21.759 -16.372 1.00 0.00 C ATOM 1024 C GLU A 63 24.816 23.278 -16.328 1.00 0.00 C ATOM 1025 O GLU A 63 25.586 23.971 -15.669 1.00 0.00 O ATOM 1026 CB GLU A 63 25.602 21.340 -17.701 1.00 0.00 C ATOM 1027 CG GLU A 63 27.076 21.693 -17.800 1.00 0.00 C ATOM 1028 CD GLU A 63 27.575 21.781 -19.220 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.448 22.868 -19.815 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.108 20.784 -19.737 1.00 0.00 O ATOM 0 H GLU A 63 23.454 20.400 -16.868 1.00 0.00 H new ATOM 0 HA GLU A 63 25.644 21.464 -15.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.482 20.264 -17.830 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.063 21.821 -18.517 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.248 22.647 -17.302 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.659 20.944 -17.263 1.00 0.00 H new ATOM 1037 N VAL A 64 23.845 23.784 -17.047 1.00 0.00 N ATOM 1038 CA VAL A 64 23.580 25.213 -17.065 1.00 0.00 C ATOM 1039 C VAL A 64 22.662 25.670 -15.905 1.00 0.00 C ATOM 1040 O VAL A 64 22.897 26.701 -15.312 1.00 0.00 O ATOM 1041 CB VAL A 64 23.032 25.643 -18.447 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.603 24.429 -19.250 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.889 26.613 -18.314 1.00 0.00 C ATOM 0 H VAL A 64 23.219 23.230 -17.632 1.00 0.00 H new ATOM 0 HA VAL A 64 24.530 25.722 -16.902 1.00 0.00 H new ATOM 0 HB VAL A 64 23.838 26.151 -18.977 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.220 24.750 -20.219 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.458 23.770 -19.398 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.822 23.894 -18.711 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.531 26.892 -19.305 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.079 26.146 -17.754 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.228 27.505 -17.787 1.00 0.00 H new ATOM 1053 N LEU A 65 21.638 24.886 -15.591 1.00 0.00 N ATOM 1054 CA LEU A 65 20.671 25.238 -14.534 1.00 0.00 C ATOM 1055 C LEU A 65 21.305 25.298 -13.153 1.00 0.00 C ATOM 1056 O LEU A 65 20.956 26.153 -12.351 1.00 0.00 O ATOM 1057 CB LEU A 65 19.437 24.314 -14.563 1.00 0.00 C ATOM 1058 CG LEU A 65 18.259 24.772 -15.475 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.739 25.249 -16.841 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.256 23.651 -15.653 1.00 0.00 C ATOM 0 H LEU A 65 21.447 23.996 -16.050 1.00 0.00 H new ATOM 0 HA LEU A 65 20.327 26.249 -14.753 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.757 23.324 -14.888 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.062 24.210 -13.545 1.00 0.00 H new ATOM 0 HG LEU A 65 17.782 25.614 -14.974 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.882 25.558 -17.440 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.416 26.094 -16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.262 24.437 -17.347 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.441 23.990 -16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.747 22.794 -16.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.858 23.361 -14.681 1.00 0.00 H new ATOM 1072 N SER A 66 22.249 24.406 -12.871 1.00 0.00 N ATOM 1073 CA SER A 66 22.878 24.381 -11.558 1.00 0.00 C ATOM 1074 C SER A 66 23.707 25.643 -11.329 1.00 0.00 C ATOM 1075 O SER A 66 23.944 26.047 -10.184 1.00 0.00 O ATOM 1076 CB SER A 66 23.755 23.145 -11.413 1.00 0.00 C ATOM 1077 OG SER A 66 24.779 23.117 -12.390 1.00 0.00 O ATOM 0 H SER A 66 22.591 23.701 -13.524 1.00 0.00 H new ATOM 0 HA SER A 66 22.090 24.345 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.200 23.128 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.141 22.249 -11.503 1.00 0.00 H new ATOM 0 HG SER A 66 24.383 22.972 -13.275 1.00 0.00 H new ATOM 1083 N ASP A 67 24.138 26.256 -12.415 1.00 0.00 N ATOM 1084 CA ASP A 67 24.886 27.490 -12.350 1.00 0.00 C ATOM 1085 C ASP A 67 23.993 28.644 -12.757 1.00 0.00 C ATOM 1086 O ASP A 67 23.650 28.792 -13.926 1.00 0.00 O ATOM 1087 CB ASP A 67 26.110 27.433 -13.255 1.00 0.00 C ATOM 1088 CG ASP A 67 27.031 28.611 -13.041 1.00 0.00 C ATOM 1089 OD1 ASP A 67 27.935 28.522 -12.177 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.859 29.634 -13.725 1.00 0.00 O ATOM 0 H ASP A 67 23.979 25.912 -13.362 1.00 0.00 H new ATOM 0 HA ASP A 67 25.229 27.637 -11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.656 26.508 -13.068 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.789 27.409 -14.296 1.00 0.00 H new ATOM 1095 N ALA A 68 23.619 29.462 -11.793 1.00 0.00 N ATOM 1096 CA ALA A 68 22.714 30.583 -12.036 1.00 0.00 C ATOM 1097 C ALA A 68 23.222 31.507 -13.140 1.00 0.00 C ATOM 1098 O ALA A 68 22.434 32.189 -13.797 1.00 0.00 O ATOM 1099 CB ALA A 68 22.483 31.363 -10.754 1.00 0.00 C ATOM 0 H ALA A 68 23.927 29.375 -10.825 1.00 0.00 H new ATOM 0 HA ALA A 68 21.766 30.166 -12.377 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.807 32.195 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.042 30.707 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.434 31.748 -10.386 1.00 0.00 H new ATOM 1105 N LYS A 69 24.532 31.534 -13.340 1.00 0.00 N ATOM 1106 CA LYS A 69 25.116 32.380 -14.358 1.00 0.00 C ATOM 1107 C LYS A 69 24.887 31.799 -15.750 1.00 0.00 C ATOM 1108 O LYS A 69 24.480 32.514 -16.664 1.00 0.00 O ATOM 1109 CB LYS A 69 26.601 32.612 -14.094 1.00 0.00 C ATOM 1110 CG LYS A 69 27.246 33.576 -15.066 1.00 0.00 C ATOM 1111 CD LYS A 69 28.699 33.823 -14.726 1.00 0.00 C ATOM 1112 CE LYS A 69 29.333 34.792 -15.709 1.00 0.00 C ATOM 1113 NZ LYS A 69 28.670 36.123 -15.699 1.00 0.00 N ATOM 0 H LYS A 69 25.205 30.980 -12.810 1.00 0.00 H new ATOM 0 HA LYS A 69 24.617 33.348 -14.315 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.726 32.993 -13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.124 31.657 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.171 33.177 -16.078 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.704 34.521 -15.055 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.776 34.223 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.244 32.879 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 69 30.389 34.913 -15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.283 34.371 -16.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 29.269 36.813 -16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 27.749 36.056 -16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 28.528 36.433 -14.716 1.00 0.00 H new ATOM 1127 N LYS A 70 25.137 30.494 -15.911 1.00 0.00 N ATOM 1128 CA LYS A 70 24.930 29.836 -17.185 1.00 0.00 C ATOM 1129 C LYS A 70 23.460 29.847 -17.528 1.00 0.00 C ATOM 1130 O LYS A 70 23.075 30.049 -18.683 1.00 0.00 O ATOM 1131 CB LYS A 70 25.453 28.416 -17.136 1.00 0.00 C ATOM 1132 CG LYS A 70 26.953 28.342 -16.913 1.00 0.00 C ATOM 1133 CD LYS A 70 27.423 26.914 -16.766 1.00 0.00 C ATOM 1134 CE LYS A 70 27.237 26.131 -18.051 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.719 24.751 -17.908 1.00 0.00 N ATOM 0 H LYS A 70 25.482 29.883 -15.171 1.00 0.00 H new ATOM 0 HA LYS A 70 25.478 30.374 -17.958 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.946 27.876 -16.337 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.205 27.911 -18.070 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.470 28.811 -17.750 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.217 28.907 -16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.475 26.904 -16.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.871 26.430 -15.961 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.182 26.124 -18.326 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.774 26.624 -18.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.251 24.145 -18.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.748 24.725 -18.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.500 24.404 -16.952 1.00 0.00 H new ATOM 1149 N ARG A 71 22.639 29.625 -16.508 1.00 0.00 N ATOM 1150 CA ARG A 71 21.201 29.675 -16.657 1.00 0.00 C ATOM 1151 C ARG A 71 20.778 31.037 -17.158 1.00 0.00 C ATOM 1152 O ARG A 71 19.885 31.150 -17.988 1.00 0.00 O ATOM 1153 CB ARG A 71 20.491 29.409 -15.330 1.00 0.00 C ATOM 1154 CG ARG A 71 18.981 29.393 -15.484 1.00 0.00 C ATOM 1155 CD ARG A 71 18.259 29.249 -14.166 1.00 0.00 C ATOM 1156 NE ARG A 71 16.810 29.250 -14.370 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.059 30.363 -14.457 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.613 31.565 -14.287 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.755 30.271 -14.693 1.00 0.00 N ATOM 0 H ARG A 71 22.955 29.407 -15.563 1.00 0.00 H new ATOM 0 HA ARG A 71 20.922 28.901 -17.372 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.824 28.453 -14.926 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.773 30.175 -14.608 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.660 30.315 -15.970 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.696 28.571 -16.141 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.562 28.323 -13.678 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.539 30.066 -13.501 1.00 0.00 H new ATOM 0 HE ARG A 71 16.339 28.349 -14.451 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.611 31.643 -14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.039 32.405 -14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.321 29.355 -14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.188 31.116 -14.759 1.00 0.00 H new ATOM 1173 N GLU A 72 21.440 32.064 -16.654 1.00 0.00 N ATOM 1174 CA GLU A 72 21.106 33.420 -16.970 1.00 0.00 C ATOM 1175 C GLU A 72 21.334 33.677 -18.435 1.00 0.00 C ATOM 1176 O GLU A 72 20.535 34.332 -19.088 1.00 0.00 O ATOM 1177 CB GLU A 72 21.962 34.369 -16.142 1.00 0.00 C ATOM 1178 CG GLU A 72 21.686 35.817 -16.431 1.00 0.00 C ATOM 1179 CD GLU A 72 22.575 36.753 -15.651 1.00 0.00 C ATOM 1180 OE1 GLU A 72 22.467 36.790 -14.404 1.00 0.00 O ATOM 1181 OE2 GLU A 72 23.399 37.456 -16.275 1.00 0.00 O ATOM 0 H GLU A 72 22.227 31.968 -16.012 1.00 0.00 H new ATOM 0 HA GLU A 72 20.055 33.590 -16.738 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.787 34.176 -15.084 1.00 0.00 H new ATOM 0 HB3 GLU A 72 23.014 34.161 -16.334 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.820 36.001 -17.497 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.644 36.036 -16.198 1.00 0.00 H new ATOM 1188 N LEU A 73 22.418 33.138 -18.949 1.00 0.00 N ATOM 1189 CA LEU A 73 22.763 33.319 -20.324 1.00 0.00 C ATOM 1190 C LEU A 73 21.716 32.658 -21.206 1.00 0.00 C ATOM 1191 O LEU A 73 21.258 33.240 -22.185 1.00 0.00 O ATOM 1192 CB LEU A 73 24.129 32.696 -20.580 1.00 0.00 C ATOM 1193 CG LEU A 73 25.231 33.089 -19.591 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.571 32.527 -20.016 1.00 0.00 C ATOM 1195 CD2 LEU A 73 25.297 34.593 -19.411 1.00 0.00 C ATOM 0 H LEU A 73 23.076 32.566 -18.420 1.00 0.00 H new ATOM 0 HA LEU A 73 22.799 34.383 -20.558 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.022 31.611 -20.565 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.452 32.971 -21.584 1.00 0.00 H new ATOM 0 HG LEU A 73 24.980 32.653 -18.624 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.334 32.822 -19.296 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.513 31.439 -20.058 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.832 32.915 -21.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 26.088 34.840 -18.704 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.507 35.065 -20.371 1.00 0.00 H new ATOM 0 HD23 LEU A 73 24.343 34.956 -19.029 1.00 0.00 H new ATOM 1207 N TYR A 74 21.335 31.441 -20.836 1.00 0.00 N ATOM 1208 CA TYR A 74 20.330 30.694 -21.576 1.00 0.00 C ATOM 1209 C TYR A 74 18.975 31.378 -21.520 1.00 0.00 C ATOM 1210 O TYR A 74 18.312 31.560 -22.543 1.00 0.00 O ATOM 1211 CB TYR A 74 20.209 29.269 -21.045 1.00 0.00 C ATOM 1212 CG TYR A 74 19.297 28.403 -21.888 1.00 0.00 C ATOM 1213 CD1 TYR A 74 19.778 27.764 -23.022 1.00 0.00 C ATOM 1214 CD2 TYR A 74 17.955 28.246 -21.564 1.00 0.00 C ATOM 1215 CE1 TYR A 74 18.949 26.993 -23.811 1.00 0.00 C ATOM 1216 CE2 TYR A 74 17.120 27.472 -22.346 1.00 0.00 C ATOM 1217 CZ TYR A 74 17.622 26.849 -23.468 1.00 0.00 C ATOM 1218 OH TYR A 74 16.789 26.090 -24.259 1.00 0.00 O ATOM 0 H TYR A 74 21.710 30.950 -20.024 1.00 0.00 H new ATOM 0 HA TYR A 74 20.656 30.659 -22.615 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.199 28.815 -21.007 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.832 29.298 -20.023 1.00 0.00 H new ATOM 0 HD1 TYR A 74 20.818 27.872 -23.291 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.559 28.737 -20.687 1.00 0.00 H new ATOM 0 HE1 TYR A 74 19.338 26.505 -24.692 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.080 27.356 -22.080 1.00 0.00 H new ATOM 0 HH TYR A 74 16.703 25.192 -23.876 1.00 0.00 H new ATOM 1228 N ASP A 75 18.577 31.740 -20.318 1.00 0.00 N ATOM 1229 CA ASP A 75 17.288 32.384 -20.073 1.00 0.00 C ATOM 1230 C ASP A 75 17.204 33.718 -20.796 1.00 0.00 C ATOM 1231 O ASP A 75 16.143 34.104 -21.299 1.00 0.00 O ATOM 1232 CB ASP A 75 17.068 32.575 -18.565 1.00 0.00 C ATOM 1233 CG ASP A 75 15.742 33.235 -18.228 1.00 0.00 C ATOM 1234 OD1 ASP A 75 14.695 32.569 -18.329 1.00 0.00 O ATOM 1235 OD2 ASP A 75 15.746 34.420 -17.832 1.00 0.00 O ATOM 0 H ASP A 75 19.135 31.599 -19.476 1.00 0.00 H new ATOM 0 HA ASP A 75 16.501 31.738 -20.463 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.118 31.604 -18.072 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.880 33.180 -18.161 1.00 0.00 H new ATOM 1240 N LYS A 76 18.323 34.423 -20.835 1.00 0.00 N ATOM 1241 CA LYS A 76 18.395 35.705 -21.516 1.00 0.00 C ATOM 1242 C LYS A 76 18.280 35.533 -23.024 1.00 0.00 C ATOM 1243 O LYS A 76 17.527 36.255 -23.694 1.00 0.00 O ATOM 1244 CB LYS A 76 19.685 36.447 -21.153 1.00 0.00 C ATOM 1245 CG LYS A 76 19.828 37.798 -21.827 1.00 0.00 C ATOM 1246 CD LYS A 76 21.089 38.511 -21.379 1.00 0.00 C ATOM 1247 CE LYS A 76 21.216 39.865 -22.045 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.398 40.612 -21.569 1.00 0.00 N ATOM 0 H LYS A 76 19.197 34.127 -20.401 1.00 0.00 H new ATOM 0 HA LYS A 76 17.550 36.307 -21.180 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.721 36.586 -20.072 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.538 35.825 -21.423 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.848 37.666 -22.909 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.959 38.414 -21.597 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.075 38.635 -20.296 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.960 37.901 -21.619 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.283 39.732 -23.125 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.317 40.449 -21.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.445 41.532 -22.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.323 40.763 -20.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.260 40.068 -21.777 1.00 0.00 H new ATOM 1262 N GLY A 77 19.016 34.582 -23.550 1.00 0.00 N ATOM 1263 CA GLY A 77 18.983 34.321 -24.960 1.00 0.00 C ATOM 1264 C GLY A 77 20.363 34.103 -25.526 1.00 0.00 C ATOM 1265 O GLY A 77 21.329 34.676 -24.986 1.00 0.00 O ATOM 1266 OXT GLY A 77 20.488 33.354 -26.520 1.00 0.00 O ATOM 0 H GLY A 77 19.643 33.979 -23.018 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.369 33.441 -25.152 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.509 35.158 -25.473 1.00 0.00 H new