USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 37 GLN : amide:sc= -0.667 K(o=-1.7,f=-5.5!) USER MOD Set 1.2: A 58 SER OG : rot -103:sc= -0.986 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -0.0524 (180deg=-0.367) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 25 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.291 X(o=-0.29,f=-0.45) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -31:sc= 1.34 USER MOD Single : A 54 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= -0.178 (180deg=-0.694) USER MOD Single : A 65 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.71) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -0.0912 (180deg=-0.441) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.415 -12.968 -9.657 1.00 61.31 N ATOM 239 CA LEU A 16 -21.469 -12.893 -10.663 1.00 63.41 C ATOM 240 C LEU A 16 -22.676 -12.128 -10.131 1.00 71.21 C ATOM 241 O LEU A 16 -23.239 -11.277 -10.820 1.00 62.13 O ATOM 242 CB LEU A 16 -21.891 -14.299 -11.094 1.00 23.23 C ATOM 243 CG LEU A 16 -21.512 -14.707 -12.518 1.00 25.23 C ATOM 244 CD1 LEU A 16 -20.024 -14.495 -12.756 1.00 35.44 C ATOM 245 CD2 LEU A 16 -21.894 -16.157 -12.777 1.00 23.33 C ATOM 0 HA LEU A 16 -21.075 -12.358 -11.527 1.00 63.41 H new ATOM 0 HB2 LEU A 16 -21.450 -15.017 -10.402 1.00 23.23 H new ATOM 0 HB3 LEU A 16 -22.973 -14.380 -10.990 1.00 23.23 H new ATOM 0 HG LEU A 16 -22.064 -14.077 -13.215 1.00 25.23 H new ATOM 0 HD11 LEU A 16 -19.773 -14.791 -13.775 1.00 35.44 H new ATOM 0 HD12 LEU A 16 -19.779 -13.443 -12.613 1.00 35.44 H new ATOM 0 HD13 LEU A 16 -19.453 -15.100 -12.051 1.00 35.44 H new ATOM 0 HD21 LEU A 16 -21.617 -16.430 -13.795 1.00 23.33 H new ATOM 0 HD22 LEU A 16 -21.370 -16.803 -12.073 1.00 23.33 H new ATOM 0 HD23 LEU A 16 -22.970 -16.278 -12.649 1.00 23.33 H new ATOM 257 N LYS A 17 -23.069 -12.435 -8.899 1.00 64.03 N ATOM 258 CA LYS A 17 -24.207 -11.775 -8.272 1.00 10.43 C ATOM 259 C LYS A 17 -24.029 -10.260 -8.279 1.00 53.34 C ATOM 260 O LYS A 17 -24.998 -9.511 -8.406 1.00 15.01 O ATOM 261 CB LYS A 17 -24.382 -12.271 -6.835 1.00 11.14 C ATOM 262 CG LYS A 17 -25.055 -13.629 -6.738 1.00 31.11 C ATOM 263 CD LYS A 17 -26.565 -13.497 -6.637 1.00 34.12 C ATOM 264 CE LYS A 17 -27.182 -14.688 -5.920 1.00 32.24 C ATOM 265 NZ LYS A 17 -27.191 -14.503 -4.442 1.00 44.51 N ATOM 0 H LYS A 17 -22.615 -13.137 -8.315 1.00 64.03 H new ATOM 0 HA LYS A 17 -25.100 -12.021 -8.847 1.00 10.43 H new ATOM 0 HB2 LYS A 17 -23.404 -12.324 -6.356 1.00 11.14 H new ATOM 0 HB3 LYS A 17 -24.970 -11.543 -6.277 1.00 11.14 H new ATOM 0 HG2 LYS A 17 -24.799 -14.226 -7.613 1.00 31.11 H new ATOM 0 HG3 LYS A 17 -24.676 -14.162 -5.866 1.00 31.11 H new ATOM 0 HD2 LYS A 17 -26.816 -12.580 -6.104 1.00 34.12 H new ATOM 0 HD3 LYS A 17 -26.991 -13.412 -7.636 1.00 34.12 H new ATOM 0 HE2 LYS A 17 -28.202 -14.836 -6.274 1.00 32.24 H new ATOM 0 HE3 LYS A 17 -26.624 -15.591 -6.169 1.00 32.24 H new ATOM 0 HZ1 LYS A 17 -27.619 -15.336 -3.990 1.00 44.51 H new ATOM 0 HZ2 LYS A 17 -26.215 -14.387 -4.101 1.00 44.51 H new ATOM 0 HZ3 LYS A 17 -27.745 -13.656 -4.202 1.00 44.51 H new ATOM 279 N LYS A 18 -22.785 -9.814 -8.145 1.00 1.22 N ATOM 280 CA LYS A 18 -22.479 -8.388 -8.139 1.00 62.31 C ATOM 281 C LYS A 18 -22.484 -7.825 -9.557 1.00 11.14 C ATOM 282 O LYS A 18 -22.881 -6.680 -9.779 1.00 63.22 O ATOM 283 CB LYS A 18 -21.117 -8.141 -7.486 1.00 13.34 C ATOM 284 CG LYS A 18 -21.186 -7.985 -5.976 1.00 74.42 C ATOM 285 CD LYS A 18 -19.809 -7.760 -5.375 1.00 51.33 C ATOM 286 CE LYS A 18 -19.082 -9.074 -5.139 1.00 22.40 C ATOM 287 NZ LYS A 18 -19.723 -9.877 -4.060 1.00 45.33 N ATOM 0 H LYS A 18 -21.971 -10.420 -8.039 1.00 1.22 H new ATOM 0 HA LYS A 18 -23.250 -7.878 -7.561 1.00 62.31 H new ATOM 0 HB2 LYS A 18 -20.452 -8.970 -7.727 1.00 13.34 H new ATOM 0 HB3 LYS A 18 -20.675 -7.242 -7.916 1.00 13.34 H new ATOM 0 HG2 LYS A 18 -21.835 -7.146 -5.725 1.00 74.42 H new ATOM 0 HG3 LYS A 18 -21.634 -8.877 -5.537 1.00 74.42 H new ATOM 0 HD2 LYS A 18 -19.219 -7.131 -6.041 1.00 51.33 H new ATOM 0 HD3 LYS A 18 -19.906 -7.222 -4.432 1.00 51.33 H new ATOM 0 HE2 LYS A 18 -19.068 -9.652 -6.063 1.00 22.40 H new ATOM 0 HE3 LYS A 18 -18.044 -8.872 -4.874 1.00 22.40 H new ATOM 0 HZ1 LYS A 18 -19.037 -10.562 -3.683 1.00 45.33 H new ATOM 0 HZ2 LYS A 18 -20.036 -9.245 -3.296 1.00 45.33 H new ATOM 0 HZ3 LYS A 18 -20.544 -10.386 -4.447 1.00 45.33 H new ATOM 301 N LEU A 19 -22.043 -8.636 -10.512 1.00 51.40 N ATOM 302 CA LEU A 19 -21.998 -8.218 -11.909 1.00 75.42 C ATOM 303 C LEU A 19 -23.395 -7.884 -12.422 1.00 54.14 C ATOM 304 O LEU A 19 -23.629 -6.800 -12.957 1.00 2.31 O ATOM 305 CB LEU A 19 -21.376 -9.318 -12.771 1.00 31.51 C ATOM 306 CG LEU A 19 -19.864 -9.230 -12.984 1.00 15.14 C ATOM 307 CD1 LEU A 19 -19.299 -10.588 -13.371 1.00 55.30 C ATOM 308 CD2 LEU A 19 -19.535 -8.191 -14.045 1.00 54.43 C ATOM 0 H LEU A 19 -21.712 -9.586 -10.345 1.00 51.40 H new ATOM 0 HA LEU A 19 -21.382 -7.321 -11.975 1.00 75.42 H new ATOM 0 HB2 LEU A 19 -21.603 -10.281 -12.315 1.00 31.51 H new ATOM 0 HB3 LEU A 19 -21.862 -9.305 -13.747 1.00 31.51 H new ATOM 0 HG LEU A 19 -19.402 -8.922 -12.046 1.00 15.14 H new ATOM 0 HD11 LEU A 19 -18.222 -10.505 -13.518 1.00 55.30 H new ATOM 0 HD12 LEU A 19 -19.503 -11.306 -12.577 1.00 55.30 H new ATOM 0 HD13 LEU A 19 -19.767 -10.927 -14.295 1.00 55.30 H new ATOM 0 HD21 LEU A 19 -18.455 -8.142 -14.184 1.00 54.43 H new ATOM 0 HD22 LEU A 19 -20.009 -8.469 -14.986 1.00 54.43 H new ATOM 0 HD23 LEU A 19 -19.905 -7.216 -13.727 1.00 54.43 H new ATOM 320 N VAL A 20 -24.322 -8.822 -12.254 1.00 54.35 N ATOM 321 CA VAL A 20 -25.697 -8.625 -12.698 1.00 35.55 C ATOM 322 C VAL A 20 -26.307 -7.381 -12.062 1.00 34.32 C ATOM 323 O VAL A 20 -27.198 -6.752 -12.634 1.00 30.53 O ATOM 324 CB VAL A 20 -26.576 -9.845 -12.359 1.00 3.32 C ATOM 325 CG1 VAL A 20 -26.685 -10.022 -10.852 1.00 53.11 C ATOM 326 CG2 VAL A 20 -27.953 -9.700 -12.989 1.00 21.15 C ATOM 0 H VAL A 20 -24.146 -9.725 -11.814 1.00 54.35 H new ATOM 0 HA VAL A 20 -25.665 -8.498 -13.780 1.00 35.55 H new ATOM 0 HB VAL A 20 -26.105 -10.737 -12.772 1.00 3.32 H new ATOM 0 HG11 VAL A 20 -27.309 -10.888 -10.632 1.00 53.11 H new ATOM 0 HG12 VAL A 20 -25.691 -10.174 -10.431 1.00 53.11 H new ATOM 0 HG13 VAL A 20 -27.133 -9.131 -10.412 1.00 53.11 H new ATOM 0 HG21 VAL A 20 -28.561 -10.570 -12.740 1.00 21.15 H new ATOM 0 HG22 VAL A 20 -28.435 -8.800 -12.608 1.00 21.15 H new ATOM 0 HG23 VAL A 20 -27.852 -9.626 -14.072 1.00 21.15 H new ATOM 336 N ASP A 21 -25.822 -7.031 -10.876 1.00 22.21 N ATOM 337 CA ASP A 21 -26.318 -5.860 -10.162 1.00 22.30 C ATOM 338 C ASP A 21 -25.691 -4.583 -10.711 1.00 44.22 C ATOM 339 O ASP A 21 -26.354 -3.553 -10.828 1.00 15.50 O ATOM 340 CB ASP A 21 -26.023 -5.986 -8.666 1.00 52.24 C ATOM 341 CG ASP A 21 -26.594 -4.832 -7.865 1.00 74.50 C ATOM 342 OD1 ASP A 21 -25.887 -3.816 -7.701 1.00 33.13 O ATOM 343 OD2 ASP A 21 -27.749 -4.946 -7.403 1.00 2.10 O ATOM 0 H ASP A 21 -25.086 -7.541 -10.388 1.00 22.21 H new ATOM 0 HA ASP A 21 -27.397 -5.805 -10.308 1.00 22.30 H new ATOM 0 HB2 ASP A 21 -26.438 -6.923 -8.294 1.00 52.24 H new ATOM 0 HB3 ASP A 21 -24.945 -6.032 -8.514 1.00 52.24 H new ATOM 348 N LYS A 22 -24.407 -4.657 -11.046 1.00 41.22 N ATOM 349 CA LYS A 22 -23.688 -3.507 -11.583 1.00 74.44 C ATOM 350 C LYS A 22 -23.684 -3.533 -13.109 1.00 12.44 C ATOM 351 O LYS A 22 -22.826 -2.922 -13.747 1.00 33.23 O ATOM 352 CB LYS A 22 -22.251 -3.488 -11.059 1.00 62.02 C ATOM 353 CG LYS A 22 -22.155 -3.528 -9.544 1.00 14.22 C ATOM 354 CD LYS A 22 -20.807 -4.055 -9.084 1.00 23.14 C ATOM 355 CE LYS A 22 -20.414 -3.478 -7.732 1.00 51.33 C ATOM 356 NZ LYS A 22 -19.577 -4.426 -6.946 1.00 52.20 N ATOM 0 H LYS A 22 -23.843 -5.502 -10.955 1.00 41.22 H new ATOM 0 HA LYS A 22 -24.200 -2.603 -11.253 1.00 74.44 H new ATOM 0 HB2 LYS A 22 -21.712 -4.341 -11.471 1.00 62.02 H new ATOM 0 HB3 LYS A 22 -21.753 -2.589 -11.423 1.00 62.02 H new ATOM 0 HG2 LYS A 22 -22.312 -2.527 -9.142 1.00 14.22 H new ATOM 0 HG3 LYS A 22 -22.949 -4.159 -9.145 1.00 14.22 H new ATOM 0 HD2 LYS A 22 -20.843 -5.143 -9.020 1.00 23.14 H new ATOM 0 HD3 LYS A 22 -20.046 -3.804 -9.823 1.00 23.14 H new ATOM 0 HE2 LYS A 22 -19.867 -2.547 -7.880 1.00 51.33 H new ATOM 0 HE3 LYS A 22 -21.313 -3.233 -7.167 1.00 51.33 H new ATOM 0 HZ1 LYS A 22 -19.330 -3.996 -6.032 1.00 52.20 H new ATOM 0 HZ2 LYS A 22 -20.108 -5.305 -6.783 1.00 52.20 H new ATOM 0 HZ3 LYS A 22 -18.707 -4.640 -7.474 1.00 52.20 H new ATOM 370 N TYR A 23 -24.648 -4.241 -13.686 1.00 51.45 N ATOM 371 CA TYR A 23 -24.755 -4.346 -15.137 1.00 4.31 C ATOM 372 C TYR A 23 -24.943 -2.971 -15.770 1.00 43.43 C ATOM 373 O TYR A 23 -24.316 -2.649 -16.780 1.00 3.22 O ATOM 374 CB TYR A 23 -25.920 -5.259 -15.519 1.00 34.32 C ATOM 375 CG TYR A 23 -26.131 -5.380 -17.011 1.00 53.02 C ATOM 376 CD1 TYR A 23 -26.914 -4.460 -17.698 1.00 62.15 C ATOM 377 CD2 TYR A 23 -25.549 -6.414 -17.734 1.00 33.12 C ATOM 378 CE1 TYR A 23 -27.110 -4.567 -19.062 1.00 10.42 C ATOM 379 CE2 TYR A 23 -25.739 -6.528 -19.097 1.00 42.54 C ATOM 380 CZ TYR A 23 -26.520 -5.602 -19.757 1.00 11.42 C ATOM 381 OH TYR A 23 -26.712 -5.712 -21.115 1.00 34.11 O ATOM 0 H TYR A 23 -25.367 -4.751 -13.172 1.00 51.45 H new ATOM 0 HA TYR A 23 -23.827 -4.776 -15.514 1.00 4.31 H new ATOM 0 HB2 TYR A 23 -25.744 -6.251 -15.104 1.00 34.32 H new ATOM 0 HB3 TYR A 23 -26.833 -4.879 -15.061 1.00 34.32 H new ATOM 0 HD1 TYR A 23 -27.377 -3.648 -17.157 1.00 62.15 H new ATOM 0 HD2 TYR A 23 -24.937 -7.141 -17.221 1.00 33.12 H new ATOM 0 HE1 TYR A 23 -27.722 -3.844 -19.581 1.00 10.42 H new ATOM 0 HE2 TYR A 23 -25.279 -7.338 -19.643 1.00 42.54 H new ATOM 0 HH TYR A 23 -26.227 -6.494 -21.452 1.00 34.11 H new ATOM 391 N ARG A 24 -25.810 -2.163 -15.169 1.00 74.22 N ATOM 392 CA ARG A 24 -26.083 -0.823 -15.674 1.00 4.34 C ATOM 393 C ARG A 24 -25.154 0.201 -15.026 1.00 73.31 C ATOM 394 O ARG A 24 -25.271 1.401 -15.269 1.00 75.15 O ATOM 395 CB ARG A 24 -27.541 -0.442 -15.411 1.00 21.30 C ATOM 396 CG ARG A 24 -28.542 -1.410 -16.020 1.00 30.53 C ATOM 397 CD ARG A 24 -28.856 -2.557 -15.071 1.00 41.21 C ATOM 398 NE ARG A 24 -30.099 -3.236 -15.426 1.00 13.12 N ATOM 399 CZ ARG A 24 -31.305 -2.724 -15.205 1.00 30.34 C ATOM 400 NH1 ARG A 24 -31.429 -1.534 -14.633 1.00 73.41 N ATOM 401 NH2 ARG A 24 -32.390 -3.403 -15.556 1.00 23.13 N ATOM 0 H ARG A 24 -26.336 -2.413 -14.331 1.00 74.22 H new ATOM 0 HA ARG A 24 -25.903 -0.824 -16.749 1.00 4.34 H new ATOM 0 HB2 ARG A 24 -27.706 -0.391 -14.335 1.00 21.30 H new ATOM 0 HB3 ARG A 24 -27.725 0.556 -15.809 1.00 21.30 H new ATOM 0 HG2 ARG A 24 -29.461 -0.878 -16.266 1.00 30.53 H new ATOM 0 HG3 ARG A 24 -28.144 -1.807 -16.954 1.00 30.53 H new ATOM 0 HD2 ARG A 24 -28.035 -3.274 -15.084 1.00 41.21 H new ATOM 0 HD3 ARG A 24 -28.929 -2.175 -14.053 1.00 41.21 H new ATOM 0 HE ARG A 24 -30.038 -4.153 -15.868 1.00 13.12 H new ATOM 0 HH11 ARG A 24 -30.597 -1.009 -14.362 1.00 73.41 H new ATOM 0 HH12 ARG A 24 -32.356 -1.143 -14.465 1.00 73.41 H new ATOM 0 HH21 ARG A 24 -32.298 -4.319 -15.996 1.00 23.13 H new ATOM 0 HH22 ARG A 24 -33.315 -3.009 -15.386 1.00 23.13 H new ATOM 415 N ASN A 25 -24.233 -0.283 -14.200 1.00 65.40 N ATOM 416 CA ASN A 25 -23.285 0.589 -13.516 1.00 43.25 C ATOM 417 C ASN A 25 -22.059 0.850 -14.387 1.00 74.33 C ATOM 418 O ASN A 25 -21.555 1.971 -14.448 1.00 55.32 O ATOM 419 CB ASN A 25 -22.856 -0.032 -12.186 1.00 22.23 C ATOM 420 CG ASN A 25 -23.822 0.286 -11.061 1.00 2.31 C ATOM 421 OD1 ASN A 25 -23.458 0.934 -10.080 1.00 5.53 O ATOM 422 ND2 ASN A 25 -25.061 -0.170 -11.199 1.00 13.12 N ATOM 0 H ASN A 25 -24.123 -1.275 -13.988 1.00 65.40 H new ATOM 0 HA ASN A 25 -23.780 1.540 -13.322 1.00 43.25 H new ATOM 0 HB2 ASN A 25 -22.780 -1.113 -12.301 1.00 22.23 H new ATOM 0 HB3 ASN A 25 -21.863 0.331 -11.922 1.00 22.23 H new ATOM 0 HD21 ASN A 25 -25.755 0.013 -10.475 1.00 13.12 H new ATOM 0 HD22 ASN A 25 -25.319 -0.703 -12.030 1.00 13.12 H new ATOM 429 N ASP A 26 -21.586 -0.194 -15.060 1.00 1.43 N ATOM 430 CA ASP A 26 -20.421 -0.078 -15.929 1.00 63.00 C ATOM 431 C ASP A 26 -20.722 -0.631 -17.318 1.00 72.24 C ATOM 432 O ASP A 26 -21.272 -1.723 -17.455 1.00 61.45 O ATOM 433 CB ASP A 26 -19.228 -0.817 -15.320 1.00 32.20 C ATOM 434 CG ASP A 26 -18.037 0.093 -15.094 1.00 30.01 C ATOM 435 OD1 ASP A 26 -17.503 0.629 -16.087 1.00 73.34 O ATOM 436 OD2 ASP A 26 -17.638 0.269 -13.923 1.00 60.15 O ATOM 0 H ASP A 26 -21.991 -1.129 -15.020 1.00 1.43 H new ATOM 0 HA ASP A 26 -20.174 0.979 -16.024 1.00 63.00 H new ATOM 0 HB2 ASP A 26 -19.526 -1.262 -14.371 1.00 32.20 H new ATOM 0 HB3 ASP A 26 -18.937 -1.635 -15.979 1.00 32.20 H new ATOM 441 N GLU A 27 -20.359 0.131 -18.345 1.00 54.40 N ATOM 442 CA GLU A 27 -20.593 -0.283 -19.723 1.00 54.45 C ATOM 443 C GLU A 27 -19.790 -1.536 -20.059 1.00 10.20 C ATOM 444 O GLU A 27 -20.298 -2.461 -20.694 1.00 44.21 O ATOM 445 CB GLU A 27 -20.224 0.846 -20.688 1.00 55.41 C ATOM 446 CG GLU A 27 -18.796 1.340 -20.530 1.00 70.40 C ATOM 447 CD GLU A 27 -18.625 2.781 -20.968 1.00 1.45 C ATOM 448 OE1 GLU A 27 -19.424 3.244 -21.809 1.00 1.35 O ATOM 449 OE2 GLU A 27 -17.693 3.446 -20.470 1.00 3.43 O ATOM 0 H GLU A 27 -19.902 1.038 -18.249 1.00 54.40 H new ATOM 0 HA GLU A 27 -21.653 -0.512 -19.831 1.00 54.45 H new ATOM 0 HB2 GLU A 27 -20.368 0.499 -21.711 1.00 55.41 H new ATOM 0 HB3 GLU A 27 -20.907 1.681 -20.535 1.00 55.41 H new ATOM 0 HG2 GLU A 27 -18.496 1.243 -19.487 1.00 70.40 H new ATOM 0 HG3 GLU A 27 -18.129 0.705 -21.114 1.00 70.40 H new ATOM 456 N HIS A 28 -18.533 -1.559 -19.628 1.00 44.43 N ATOM 457 CA HIS A 28 -17.658 -2.698 -19.882 1.00 41.25 C ATOM 458 C HIS A 28 -18.262 -3.982 -19.322 1.00 4.00 C ATOM 459 O HIS A 28 -18.024 -5.071 -19.844 1.00 74.24 O ATOM 460 CB HIS A 28 -16.280 -2.457 -19.266 1.00 44.10 C ATOM 461 CG HIS A 28 -15.322 -1.771 -20.191 1.00 5.05 C ATOM 462 ND1 HIS A 28 -13.952 -1.865 -20.060 1.00 50.12 N ATOM 463 CD2 HIS A 28 -15.542 -0.978 -21.265 1.00 72.22 C ATOM 464 CE1 HIS A 28 -13.372 -1.158 -21.014 1.00 23.24 C ATOM 465 NE2 HIS A 28 -14.315 -0.610 -21.759 1.00 23.42 N ATOM 0 H HIS A 28 -18.097 -0.802 -19.101 1.00 44.43 H new ATOM 0 HA HIS A 28 -17.550 -2.809 -20.961 1.00 41.25 H new ATOM 0 HB2 HIS A 28 -16.394 -1.856 -18.364 1.00 44.10 H new ATOM 0 HB3 HIS A 28 -15.855 -3.413 -18.960 1.00 44.10 H new ATOM 0 HD2 HIS A 28 -16.504 -0.688 -21.660 1.00 72.22 H new ATOM 0 HE1 HIS A 28 -12.308 -1.047 -21.160 1.00 23.24 H new ATOM 0 HE2 HIS A 28 -14.157 -0.011 -22.569 1.00 23.42 H new ATOM 474 N VAL A 29 -19.043 -3.847 -18.255 1.00 4.42 N ATOM 475 CA VAL A 29 -19.680 -4.996 -17.624 1.00 15.45 C ATOM 476 C VAL A 29 -20.801 -5.550 -18.496 1.00 62.41 C ATOM 477 O VAL A 29 -21.046 -6.757 -18.517 1.00 44.30 O ATOM 478 CB VAL A 29 -20.254 -4.630 -16.242 1.00 31.14 C ATOM 479 CG1 VAL A 29 -20.974 -5.822 -15.630 1.00 24.34 C ATOM 480 CG2 VAL A 29 -19.150 -4.133 -15.321 1.00 65.51 C ATOM 0 H VAL A 29 -19.250 -2.953 -17.810 1.00 4.42 H new ATOM 0 HA VAL A 29 -18.909 -5.757 -17.500 1.00 15.45 H new ATOM 0 HB VAL A 29 -20.978 -3.825 -16.370 1.00 31.14 H new ATOM 0 HG11 VAL A 29 -21.373 -5.545 -14.654 1.00 24.34 H new ATOM 0 HG12 VAL A 29 -21.792 -6.127 -16.283 1.00 24.34 H new ATOM 0 HG13 VAL A 29 -20.274 -6.649 -15.514 1.00 24.34 H new ATOM 0 HG21 VAL A 29 -19.574 -3.879 -14.349 1.00 65.51 H new ATOM 0 HG22 VAL A 29 -18.400 -4.914 -15.197 1.00 65.51 H new ATOM 0 HG23 VAL A 29 -18.684 -3.249 -15.756 1.00 65.51 H new ATOM 490 N ARG A 30 -21.478 -4.662 -19.216 1.00 10.22 N ATOM 491 CA ARG A 30 -22.574 -5.062 -20.090 1.00 65.44 C ATOM 492 C ARG A 30 -22.068 -5.950 -21.224 1.00 5.30 C ATOM 493 O ARG A 30 -22.563 -7.058 -21.428 1.00 73.13 O ATOM 494 CB ARG A 30 -23.271 -3.829 -20.667 1.00 35.14 C ATOM 495 CG ARG A 30 -24.072 -3.046 -19.638 1.00 65.14 C ATOM 496 CD ARG A 30 -25.168 -2.223 -20.295 1.00 52.54 C ATOM 497 NE ARG A 30 -24.627 -1.216 -21.205 1.00 23.22 N ATOM 498 CZ ARG A 30 -24.127 -0.053 -20.801 1.00 32.50 C ATOM 499 NH1 ARG A 30 -24.100 0.248 -19.510 1.00 73.31 N ATOM 500 NH2 ARG A 30 -23.653 0.811 -21.689 1.00 61.43 N ATOM 0 H ARG A 30 -21.287 -3.660 -19.211 1.00 10.22 H new ATOM 0 HA ARG A 30 -23.290 -5.631 -19.496 1.00 65.44 H new ATOM 0 HB2 ARG A 30 -22.522 -3.172 -21.109 1.00 35.14 H new ATOM 0 HB3 ARG A 30 -23.936 -4.141 -21.472 1.00 35.14 H new ATOM 0 HG2 ARG A 30 -24.514 -3.735 -18.919 1.00 65.14 H new ATOM 0 HG3 ARG A 30 -23.406 -2.388 -19.081 1.00 65.14 H new ATOM 0 HD2 ARG A 30 -25.838 -2.885 -20.844 1.00 52.54 H new ATOM 0 HD3 ARG A 30 -25.764 -1.733 -19.525 1.00 52.54 H new ATOM 0 HE ARG A 30 -24.633 -1.417 -22.205 1.00 23.22 H new ATOM 0 HH11 ARG A 30 -24.464 -0.414 -18.824 1.00 73.31 H new ATOM 0 HH12 ARG A 30 -23.716 1.141 -19.203 1.00 73.31 H new ATOM 0 HH21 ARG A 30 -23.672 0.583 -22.683 1.00 61.43 H new ATOM 0 HH22 ARG A 30 -23.269 1.703 -21.378 1.00 61.43 H new ATOM 514 N LYS A 31 -21.078 -5.455 -21.959 1.00 44.41 N ATOM 515 CA LYS A 31 -20.503 -6.201 -23.072 1.00 21.32 C ATOM 516 C LYS A 31 -19.900 -7.517 -22.590 1.00 71.25 C ATOM 517 O LYS A 31 -19.958 -8.530 -23.288 1.00 32.12 O ATOM 518 CB LYS A 31 -19.432 -5.365 -23.775 1.00 41.43 C ATOM 519 CG LYS A 31 -18.130 -5.266 -22.999 1.00 51.01 C ATOM 520 CD LYS A 31 -17.081 -4.481 -23.768 1.00 4.21 C ATOM 521 CE LYS A 31 -15.672 -4.870 -23.344 1.00 54.25 C ATOM 522 NZ LYS A 31 -14.650 -3.936 -23.893 1.00 15.43 N ATOM 0 H LYS A 31 -20.657 -4.539 -21.804 1.00 44.41 H new ATOM 0 HA LYS A 31 -21.302 -6.424 -23.779 1.00 21.32 H new ATOM 0 HB2 LYS A 31 -19.229 -5.799 -24.754 1.00 41.43 H new ATOM 0 HB3 LYS A 31 -19.821 -4.361 -23.945 1.00 41.43 H new ATOM 0 HG2 LYS A 31 -18.314 -4.785 -22.038 1.00 51.01 H new ATOM 0 HG3 LYS A 31 -17.754 -6.267 -22.788 1.00 51.01 H new ATOM 0 HD2 LYS A 31 -17.203 -4.659 -24.837 1.00 4.21 H new ATOM 0 HD3 LYS A 31 -17.230 -3.414 -23.603 1.00 4.21 H new ATOM 0 HE2 LYS A 31 -15.609 -4.878 -22.256 1.00 54.25 H new ATOM 0 HE3 LYS A 31 -15.457 -5.883 -23.683 1.00 54.25 H new ATOM 0 HZ1 LYS A 31 -13.704 -4.235 -23.582 1.00 15.43 H new ATOM 0 HZ2 LYS A 31 -14.692 -3.947 -24.932 1.00 15.43 H new ATOM 0 HZ3 LYS A 31 -14.839 -2.973 -23.549 1.00 15.43 H new ATOM 536 N VAL A 32 -19.323 -7.496 -21.393 1.00 45.54 N ATOM 537 CA VAL A 32 -18.711 -8.688 -20.818 1.00 14.43 C ATOM 538 C VAL A 32 -19.771 -9.705 -20.408 1.00 5.30 C ATOM 539 O VAL A 32 -19.734 -10.860 -20.832 1.00 54.14 O ATOM 540 CB VAL A 32 -17.848 -8.339 -19.591 1.00 12.03 C ATOM 541 CG1 VAL A 32 -17.455 -9.601 -18.838 1.00 63.15 C ATOM 542 CG2 VAL A 32 -16.616 -7.554 -20.013 1.00 4.33 C ATOM 0 H VAL A 32 -19.266 -6.666 -20.802 1.00 45.54 H new ATOM 0 HA VAL A 32 -18.074 -9.121 -21.589 1.00 14.43 H new ATOM 0 HB VAL A 32 -18.437 -7.714 -18.920 1.00 12.03 H new ATOM 0 HG11 VAL A 32 -16.846 -9.335 -17.974 1.00 63.15 H new ATOM 0 HG12 VAL A 32 -18.353 -10.119 -18.502 1.00 63.15 H new ATOM 0 HG13 VAL A 32 -16.884 -10.255 -19.497 1.00 63.15 H new ATOM 0 HG21 VAL A 32 -16.018 -7.316 -19.134 1.00 4.33 H new ATOM 0 HG22 VAL A 32 -16.023 -8.152 -20.705 1.00 4.33 H new ATOM 0 HG23 VAL A 32 -16.923 -6.631 -20.504 1.00 4.33 H new ATOM 552 N PHE A 33 -20.714 -9.268 -19.580 1.00 42.32 N ATOM 553 CA PHE A 33 -21.784 -10.140 -19.112 1.00 32.31 C ATOM 554 C PHE A 33 -22.664 -10.593 -20.273 1.00 72.14 C ATOM 555 O PHE A 33 -23.298 -11.647 -20.212 1.00 12.41 O ATOM 556 CB PHE A 33 -22.635 -9.421 -18.063 1.00 21.41 C ATOM 557 CG PHE A 33 -23.094 -10.316 -16.947 1.00 62.33 C ATOM 558 CD1 PHE A 33 -22.235 -10.652 -15.913 1.00 71.32 C ATOM 559 CD2 PHE A 33 -24.384 -10.822 -16.933 1.00 63.12 C ATOM 560 CE1 PHE A 33 -22.654 -11.475 -14.885 1.00 33.42 C ATOM 561 CE2 PHE A 33 -24.809 -11.645 -15.907 1.00 64.14 C ATOM 562 CZ PHE A 33 -23.942 -11.973 -14.883 1.00 35.23 C ATOM 0 H PHE A 33 -20.759 -8.315 -19.219 1.00 42.32 H new ATOM 0 HA PHE A 33 -21.329 -11.021 -18.659 1.00 32.31 H new ATOM 0 HB2 PHE A 33 -22.059 -8.596 -17.643 1.00 21.41 H new ATOM 0 HB3 PHE A 33 -23.507 -8.985 -18.551 1.00 21.41 H new ATOM 0 HD1 PHE A 33 -21.226 -10.266 -15.910 1.00 71.32 H new ATOM 0 HD2 PHE A 33 -25.065 -10.571 -17.733 1.00 63.12 H new ATOM 0 HE1 PHE A 33 -21.975 -11.728 -14.084 1.00 33.42 H new ATOM 0 HE2 PHE A 33 -25.818 -12.031 -15.906 1.00 64.14 H new ATOM 0 HZ PHE A 33 -24.271 -12.618 -14.082 1.00 35.23 H new ATOM 572 N ASP A 34 -22.698 -9.789 -21.330 1.00 63.35 N ATOM 573 CA ASP A 34 -23.499 -10.106 -22.507 1.00 30.21 C ATOM 574 C ASP A 34 -22.897 -11.279 -23.275 1.00 31.15 C ATOM 575 O ASP A 34 -23.600 -12.223 -23.635 1.00 3.13 O ATOM 576 CB ASP A 34 -23.608 -8.885 -23.421 1.00 4.53 C ATOM 577 CG ASP A 34 -24.062 -9.247 -24.821 1.00 20.32 C ATOM 578 OD1 ASP A 34 -23.230 -9.756 -25.601 1.00 51.50 O ATOM 579 OD2 ASP A 34 -25.249 -9.022 -25.137 1.00 33.23 O ATOM 0 H ASP A 34 -22.180 -8.913 -21.396 1.00 63.35 H new ATOM 0 HA ASP A 34 -24.497 -10.389 -22.171 1.00 30.21 H new ATOM 0 HB2 ASP A 34 -24.310 -8.172 -22.988 1.00 4.53 H new ATOM 0 HB3 ASP A 34 -22.640 -8.387 -23.474 1.00 4.53 H new ATOM 584 N GLU A 35 -21.593 -11.211 -23.522 1.00 24.12 N ATOM 585 CA GLU A 35 -20.898 -12.267 -24.249 1.00 5.05 C ATOM 586 C GLU A 35 -20.881 -13.562 -23.442 1.00 24.30 C ATOM 587 O GLU A 35 -21.025 -14.653 -23.996 1.00 0.50 O ATOM 588 CB GLU A 35 -19.465 -11.836 -24.572 1.00 74.23 C ATOM 589 CG GLU A 35 -19.368 -10.889 -25.756 1.00 43.21 C ATOM 590 CD GLU A 35 -19.341 -11.617 -27.086 1.00 24.33 C ATOM 591 OE1 GLU A 35 -18.236 -11.991 -27.534 1.00 75.30 O ATOM 592 OE2 GLU A 35 -20.422 -11.813 -27.678 1.00 33.32 O ATOM 0 H GLU A 35 -20.997 -10.437 -23.230 1.00 24.12 H new ATOM 0 HA GLU A 35 -21.435 -12.446 -25.180 1.00 5.05 H new ATOM 0 HB2 GLU A 35 -19.033 -11.354 -23.695 1.00 74.23 H new ATOM 0 HB3 GLU A 35 -18.865 -12.723 -24.776 1.00 74.23 H new ATOM 0 HG2 GLU A 35 -20.216 -10.204 -25.739 1.00 43.21 H new ATOM 0 HG3 GLU A 35 -18.467 -10.284 -25.659 1.00 43.21 H new ATOM 599 N ILE A 36 -20.703 -13.434 -22.131 1.00 61.05 N ATOM 600 CA ILE A 36 -20.668 -14.593 -21.249 1.00 25.42 C ATOM 601 C ILE A 36 -22.044 -15.240 -21.135 1.00 61.02 C ATOM 602 O ILE A 36 -22.161 -16.463 -21.063 1.00 12.13 O ATOM 603 CB ILE A 36 -20.173 -14.214 -19.840 1.00 54.23 C ATOM 604 CG1 ILE A 36 -18.760 -13.632 -19.912 1.00 20.14 C ATOM 605 CG2 ILE A 36 -20.207 -15.427 -18.922 1.00 52.54 C ATOM 606 CD1 ILE A 36 -18.388 -12.798 -18.705 1.00 71.54 C ATOM 0 H ILE A 36 -20.581 -12.539 -21.657 1.00 61.05 H new ATOM 0 HA ILE A 36 -19.971 -15.304 -21.691 1.00 25.42 H new ATOM 0 HB ILE A 36 -20.838 -13.454 -19.429 1.00 54.23 H new ATOM 0 HG12 ILE A 36 -18.044 -14.448 -20.014 1.00 20.14 H new ATOM 0 HG13 ILE A 36 -18.674 -13.018 -20.808 1.00 20.14 H new ATOM 0 HG21 ILE A 36 -19.854 -15.143 -17.930 1.00 52.54 H new ATOM 0 HG22 ILE A 36 -21.228 -15.801 -18.851 1.00 52.54 H new ATOM 0 HG23 ILE A 36 -19.563 -16.208 -19.326 1.00 52.54 H new ATOM 0 HD11 ILE A 36 -17.373 -12.418 -18.824 1.00 71.54 H new ATOM 0 HD12 ILE A 36 -19.081 -11.961 -18.613 1.00 71.54 H new ATOM 0 HD13 ILE A 36 -18.442 -13.413 -17.807 1.00 71.54 H new ATOM 618 N GLN A 37 -23.082 -14.410 -21.122 1.00 72.42 N ATOM 619 CA GLN A 37 -24.451 -14.902 -21.019 1.00 20.12 C ATOM 620 C GLN A 37 -24.830 -15.721 -22.249 1.00 4.24 C ATOM 621 O GLN A 37 -25.531 -16.727 -22.143 1.00 40.45 O ATOM 622 CB GLN A 37 -25.424 -13.734 -20.850 1.00 44.42 C ATOM 623 CG GLN A 37 -25.686 -13.365 -19.399 1.00 33.31 C ATOM 624 CD GLN A 37 -26.532 -12.115 -19.258 1.00 34.30 C ATOM 625 OE1 GLN A 37 -27.560 -12.120 -18.579 1.00 25.21 O ATOM 626 NE2 GLN A 37 -26.104 -11.035 -19.900 1.00 54.25 N ATOM 0 H GLN A 37 -23.001 -13.395 -21.181 1.00 72.42 H new ATOM 0 HA GLN A 37 -24.513 -15.547 -20.143 1.00 20.12 H new ATOM 0 HB2 GLN A 37 -25.027 -12.863 -21.372 1.00 44.42 H new ATOM 0 HB3 GLN A 37 -26.370 -13.988 -21.328 1.00 44.42 H new ATOM 0 HG2 GLN A 37 -26.186 -14.196 -18.902 1.00 33.31 H new ATOM 0 HG3 GLN A 37 -24.735 -13.215 -18.889 1.00 33.31 H new ATOM 0 HE21 GLN A 37 -25.247 -11.076 -20.451 1.00 54.25 H new ATOM 0 HE22 GLN A 37 -26.632 -10.164 -19.842 1.00 54.25 H new ATOM 635 N GLN A 38 -24.361 -15.283 -23.413 1.00 0.45 N ATOM 636 CA GLN A 38 -24.652 -15.975 -24.662 1.00 70.12 C ATOM 637 C GLN A 38 -23.849 -17.268 -24.768 1.00 54.40 C ATOM 638 O GLN A 38 -24.411 -18.345 -24.965 1.00 61.51 O ATOM 639 CB GLN A 38 -24.343 -15.070 -25.856 1.00 3.44 C ATOM 640 CG GLN A 38 -25.262 -13.863 -25.959 1.00 32.53 C ATOM 641 CD GLN A 38 -26.515 -14.152 -26.762 1.00 42.55 C ATOM 642 OE1 GLN A 38 -26.647 -13.714 -27.906 1.00 11.43 O ATOM 643 NE2 GLN A 38 -27.443 -14.892 -26.168 1.00 1.12 N ATOM 0 H GLN A 38 -23.778 -14.452 -23.517 1.00 0.45 H new ATOM 0 HA GLN A 38 -25.713 -16.225 -24.670 1.00 70.12 H new ATOM 0 HB2 GLN A 38 -23.311 -14.726 -25.783 1.00 3.44 H new ATOM 0 HB3 GLN A 38 -24.420 -15.654 -26.773 1.00 3.44 H new ATOM 0 HG2 GLN A 38 -25.544 -13.539 -24.957 1.00 32.53 H new ATOM 0 HG3 GLN A 38 -24.721 -13.037 -26.421 1.00 32.53 H new ATOM 0 HE21 GLN A 38 -27.292 -15.234 -25.219 1.00 1.12 H new ATOM 0 HE22 GLN A 38 -28.307 -15.119 -26.661 1.00 1.12 H new ATOM 652 N LYS A 39 -22.532 -17.153 -24.636 1.00 53.23 N ATOM 653 CA LYS A 39 -21.651 -18.312 -24.716 1.00 0.41 C ATOM 654 C LYS A 39 -22.039 -19.363 -23.681 1.00 11.52 C ATOM 655 O LYS A 39 -21.892 -20.563 -23.914 1.00 42.04 O ATOM 656 CB LYS A 39 -20.196 -17.887 -24.506 1.00 42.22 C ATOM 657 CG LYS A 39 -19.844 -17.618 -23.053 1.00 51.12 C ATOM 658 CD LYS A 39 -18.460 -17.007 -22.919 1.00 5.54 C ATOM 659 CE LYS A 39 -17.369 -18.039 -23.158 1.00 24.13 C ATOM 660 NZ LYS A 39 -16.062 -17.401 -23.478 1.00 62.12 N ATOM 0 H LYS A 39 -22.051 -16.268 -24.473 1.00 53.23 H new ATOM 0 HA LYS A 39 -21.756 -18.749 -25.709 1.00 0.41 H new ATOM 0 HB2 LYS A 39 -19.539 -18.667 -24.892 1.00 42.22 H new ATOM 0 HB3 LYS A 39 -20.001 -16.988 -25.091 1.00 42.22 H new ATOM 0 HG2 LYS A 39 -20.583 -16.946 -22.617 1.00 51.12 H new ATOM 0 HG3 LYS A 39 -19.888 -18.549 -22.489 1.00 51.12 H new ATOM 0 HD2 LYS A 39 -18.352 -16.190 -23.632 1.00 5.54 H new ATOM 0 HD3 LYS A 39 -18.345 -16.579 -21.923 1.00 5.54 H new ATOM 0 HE2 LYS A 39 -17.260 -18.664 -22.272 1.00 24.13 H new ATOM 0 HE3 LYS A 39 -17.663 -18.695 -23.977 1.00 24.13 H new ATOM 0 HZ1 LYS A 39 -15.345 -18.138 -23.634 1.00 62.12 H new ATOM 0 HZ2 LYS A 39 -16.159 -16.824 -24.338 1.00 62.12 H new ATOM 0 HZ3 LYS A 39 -15.768 -16.795 -22.686 1.00 62.12 H new ATOM 674 N LEU A 40 -22.536 -18.904 -22.537 1.00 75.53 N ATOM 675 CA LEU A 40 -22.948 -19.806 -21.466 1.00 43.44 C ATOM 676 C LEU A 40 -24.445 -20.090 -21.539 1.00 4.14 C ATOM 677 O LEU A 40 -24.967 -20.918 -20.792 1.00 24.51 O ATOM 678 CB LEU A 40 -22.596 -19.205 -20.104 1.00 53.43 C ATOM 679 CG LEU A 40 -21.109 -18.967 -19.839 1.00 33.42 C ATOM 680 CD1 LEU A 40 -20.890 -18.507 -18.406 1.00 24.40 C ATOM 681 CD2 LEU A 40 -20.309 -20.229 -20.124 1.00 65.55 C ATOM 0 H LEU A 40 -22.663 -17.914 -22.327 1.00 75.53 H new ATOM 0 HA LEU A 40 -22.413 -20.747 -21.590 1.00 43.44 H new ATOM 0 HB2 LEU A 40 -23.119 -18.254 -20.003 1.00 53.43 H new ATOM 0 HB3 LEU A 40 -22.982 -19.865 -19.327 1.00 53.43 H new ATOM 0 HG LEU A 40 -20.761 -18.181 -20.509 1.00 33.42 H new ATOM 0 HD11 LEU A 40 -19.826 -18.342 -18.235 1.00 24.40 H new ATOM 0 HD12 LEU A 40 -21.433 -17.577 -18.235 1.00 24.40 H new ATOM 0 HD13 LEU A 40 -21.254 -19.271 -17.719 1.00 24.40 H new ATOM 0 HD21 LEU A 40 -19.253 -20.042 -19.930 1.00 65.55 H new ATOM 0 HD22 LEU A 40 -20.659 -21.035 -19.479 1.00 65.55 H new ATOM 0 HD23 LEU A 40 -20.441 -20.516 -21.167 1.00 65.55 H new ATOM 693 N HIS A 41 -25.130 -19.399 -22.444 1.00 0.21 N ATOM 694 CA HIS A 41 -26.567 -19.579 -22.616 1.00 31.10 C ATOM 695 C HIS A 41 -27.294 -19.455 -21.280 1.00 51.23 C ATOM 696 O HIS A 41 -28.105 -20.309 -20.921 1.00 22.11 O ATOM 697 CB HIS A 41 -26.860 -20.942 -23.244 1.00 41.13 C ATOM 698 CG HIS A 41 -26.174 -21.155 -24.559 1.00 33.34 C ATOM 699 ND1 HIS A 41 -26.850 -21.212 -25.759 1.00 62.34 N ATOM 700 CD2 HIS A 41 -24.865 -21.324 -24.857 1.00 62.00 C ATOM 701 CE1 HIS A 41 -25.986 -21.409 -26.739 1.00 42.32 C ATOM 702 NE2 HIS A 41 -24.774 -21.480 -26.218 1.00 51.44 N ATOM 0 H HIS A 41 -24.713 -18.709 -23.070 1.00 0.21 H new ATOM 0 HA HIS A 41 -26.929 -18.795 -23.281 1.00 31.10 H new ATOM 0 HB2 HIS A 41 -26.552 -21.726 -22.552 1.00 41.13 H new ATOM 0 HB3 HIS A 41 -27.936 -21.045 -23.384 1.00 41.13 H new ATOM 0 HD1 HIS A 41 -27.859 -21.117 -25.873 1.00 62.34 H new ATOM 0 HD2 HIS A 41 -24.044 -21.334 -24.155 1.00 62.00 H new ATOM 0 HE1 HIS A 41 -26.229 -21.497 -27.788 1.00 42.32 H new ATOM 711 N CYS A 42 -26.998 -18.386 -20.548 1.00 40.04 N ATOM 712 CA CYS A 42 -27.622 -18.150 -19.252 1.00 4.30 C ATOM 713 C CYS A 42 -28.082 -16.700 -19.126 1.00 31.31 C ATOM 714 O CYS A 42 -27.737 -15.854 -19.951 1.00 10.43 O ATOM 715 CB CYS A 42 -26.644 -18.486 -18.124 1.00 15.13 C ATOM 716 SG CYS A 42 -25.082 -17.551 -18.190 1.00 14.13 S ATOM 0 H CYS A 42 -26.330 -17.669 -20.831 1.00 40.04 H new ATOM 0 HA CYS A 42 -28.495 -18.798 -19.173 1.00 4.30 H new ATOM 0 HB2 CYS A 42 -27.130 -18.294 -17.167 1.00 15.13 H new ATOM 0 HB3 CYS A 42 -26.419 -19.552 -18.159 1.00 15.13 H new ATOM 721 N CYS A 43 -28.863 -16.422 -18.088 1.00 12.23 N ATOM 722 CA CYS A 43 -29.372 -15.076 -17.852 1.00 61.01 C ATOM 723 C CYS A 43 -28.976 -14.580 -16.464 1.00 72.13 C ATOM 724 O CYS A 43 -28.928 -15.352 -15.508 1.00 20.41 O ATOM 725 CB CYS A 43 -30.894 -15.051 -18.000 1.00 15.41 C ATOM 726 SG CYS A 43 -31.486 -15.457 -19.674 1.00 61.13 S ATOM 0 H CYS A 43 -29.158 -17.111 -17.396 1.00 12.23 H new ATOM 0 HA CYS A 43 -28.931 -14.412 -18.595 1.00 61.01 H new ATOM 0 HB2 CYS A 43 -31.329 -15.756 -17.292 1.00 15.41 H new ATOM 0 HB3 CYS A 43 -31.258 -14.060 -17.728 1.00 15.41 H new ATOM 731 N GLY A 44 -28.694 -13.285 -16.363 1.00 2.32 N ATOM 732 CA GLY A 44 -28.306 -12.708 -15.089 1.00 12.50 C ATOM 733 C GLY A 44 -27.192 -13.484 -14.415 1.00 74.35 C ATOM 734 O GLY A 44 -26.494 -14.266 -15.060 1.00 40.11 O ATOM 0 H GLY A 44 -28.727 -12.625 -17.140 1.00 2.32 H new ATOM 0 HA2 GLY A 44 -27.985 -11.678 -15.243 1.00 12.50 H new ATOM 0 HA3 GLY A 44 -29.173 -12.676 -14.429 1.00 12.50 H new ATOM 738 N ALA A 45 -27.025 -13.268 -13.115 1.00 3.20 N ATOM 739 CA ALA A 45 -25.988 -13.954 -12.354 1.00 10.22 C ATOM 740 C ALA A 45 -26.451 -15.341 -11.921 1.00 55.33 C ATOM 741 O ALA A 45 -25.946 -16.354 -12.406 1.00 12.53 O ATOM 742 CB ALA A 45 -25.589 -13.126 -11.141 1.00 30.42 C ATOM 0 H ALA A 45 -27.594 -12.623 -12.566 1.00 3.20 H new ATOM 0 HA ALA A 45 -25.118 -14.075 -13.000 1.00 10.22 H new ATOM 0 HB1 ALA A 45 -24.814 -13.650 -10.582 1.00 30.42 H new ATOM 0 HB2 ALA A 45 -25.208 -12.159 -11.470 1.00 30.42 H new ATOM 0 HB3 ALA A 45 -26.459 -12.975 -10.501 1.00 30.42 H new ATOM 748 N ASP A 46 -27.414 -15.379 -11.007 1.00 75.01 N ATOM 749 CA ASP A 46 -27.946 -16.642 -10.509 1.00 74.44 C ATOM 750 C ASP A 46 -29.324 -16.923 -11.102 1.00 64.44 C ATOM 751 O ASP A 46 -29.896 -17.992 -10.888 1.00 53.23 O ATOM 752 CB ASP A 46 -28.030 -16.619 -8.982 1.00 51.24 C ATOM 753 CG ASP A 46 -28.023 -18.010 -8.381 1.00 22.34 C ATOM 754 OD1 ASP A 46 -27.131 -18.808 -8.740 1.00 53.10 O ATOM 755 OD2 ASP A 46 -28.908 -18.301 -7.550 1.00 31.53 O ATOM 0 H ASP A 46 -27.842 -14.550 -10.596 1.00 75.01 H new ATOM 0 HA ASP A 46 -27.268 -17.439 -10.816 1.00 74.44 H new ATOM 0 HB2 ASP A 46 -27.190 -16.050 -8.583 1.00 51.24 H new ATOM 0 HB3 ASP A 46 -28.939 -16.100 -8.679 1.00 51.24 H new ATOM 760 N SER A 47 -29.850 -15.957 -11.848 1.00 1.24 N ATOM 761 CA SER A 47 -31.162 -16.098 -12.468 1.00 31.14 C ATOM 762 C SER A 47 -31.509 -14.862 -13.292 1.00 73.43 C ATOM 763 O SER A 47 -30.935 -13.787 -13.119 1.00 31.34 O ATOM 764 CB SER A 47 -32.232 -16.329 -11.399 1.00 33.11 C ATOM 765 OG SER A 47 -33.007 -15.161 -11.193 1.00 14.14 O ATOM 0 H SER A 47 -29.387 -15.068 -12.038 1.00 1.24 H new ATOM 0 HA SER A 47 -31.131 -16.960 -13.134 1.00 31.14 H new ATOM 0 HB2 SER A 47 -32.881 -17.151 -11.701 1.00 33.11 H new ATOM 0 HB3 SER A 47 -31.758 -16.624 -10.463 1.00 33.11 H new ATOM 0 HG SER A 47 -33.685 -15.335 -10.507 1.00 14.14 H new ATOM 771 N PRO A 48 -32.472 -15.018 -14.213 1.00 13.12 N ATOM 772 CA PRO A 48 -32.919 -13.926 -15.083 1.00 71.33 C ATOM 773 C PRO A 48 -33.687 -12.853 -14.319 1.00 43.13 C ATOM 774 O PRO A 48 -33.720 -11.691 -14.725 1.00 75.04 O ATOM 775 CB PRO A 48 -33.837 -14.627 -16.088 1.00 42.13 C ATOM 776 CG PRO A 48 -34.325 -15.840 -15.374 1.00 43.11 C ATOM 777 CD PRO A 48 -33.200 -16.271 -14.474 1.00 63.34 C ATOM 0 HA PRO A 48 -32.081 -13.402 -15.543 1.00 71.33 H new ATOM 0 HB2 PRO A 48 -34.665 -13.983 -16.385 1.00 42.13 H new ATOM 0 HB3 PRO A 48 -33.298 -14.893 -16.998 1.00 42.13 H new ATOM 0 HG2 PRO A 48 -35.223 -15.619 -14.797 1.00 43.11 H new ATOM 0 HG3 PRO A 48 -34.585 -16.630 -16.079 1.00 43.11 H new ATOM 0 HD2 PRO A 48 -33.572 -16.719 -13.553 1.00 63.34 H new ATOM 0 HD3 PRO A 48 -32.563 -17.013 -14.955 1.00 63.34 H new ATOM 785 N LYS A 49 -34.302 -13.248 -13.210 1.00 72.52 N ATOM 786 CA LYS A 49 -35.069 -12.320 -12.387 1.00 64.43 C ATOM 787 C LYS A 49 -34.168 -11.233 -11.811 1.00 3.22 C ATOM 788 O LYS A 49 -34.647 -10.195 -11.353 1.00 25.23 O ATOM 789 CB LYS A 49 -35.769 -13.071 -11.253 1.00 33.42 C ATOM 790 CG LYS A 49 -36.736 -14.139 -11.736 1.00 0.31 C ATOM 791 CD LYS A 49 -38.095 -13.549 -12.073 1.00 41.44 C ATOM 792 CE LYS A 49 -39.154 -14.632 -12.213 1.00 43.32 C ATOM 793 NZ LYS A 49 -39.686 -15.060 -10.890 1.00 75.44 N ATOM 0 H LYS A 49 -34.284 -14.206 -12.860 1.00 72.52 H new ATOM 0 HA LYS A 49 -35.821 -11.848 -13.019 1.00 64.43 H new ATOM 0 HB2 LYS A 49 -35.016 -13.536 -10.617 1.00 33.42 H new ATOM 0 HB3 LYS A 49 -36.311 -12.355 -10.635 1.00 33.42 H new ATOM 0 HG2 LYS A 49 -36.324 -14.633 -12.616 1.00 0.31 H new ATOM 0 HG3 LYS A 49 -36.850 -14.902 -10.967 1.00 0.31 H new ATOM 0 HD2 LYS A 49 -38.392 -12.847 -11.293 1.00 41.44 H new ATOM 0 HD3 LYS A 49 -38.027 -12.983 -13.002 1.00 41.44 H new ATOM 0 HE2 LYS A 49 -39.972 -14.263 -12.831 1.00 43.32 H new ATOM 0 HE3 LYS A 49 -38.728 -15.492 -12.729 1.00 43.32 H new ATOM 0 HZ1 LYS A 49 -40.405 -15.799 -11.027 1.00 75.44 H new ATOM 0 HZ2 LYS A 49 -38.910 -15.436 -10.309 1.00 75.44 H new ATOM 0 HZ3 LYS A 49 -40.115 -14.244 -10.408 1.00 75.44 H new ATOM 807 N ASP A 50 -32.862 -11.477 -11.838 1.00 52.42 N ATOM 808 CA ASP A 50 -31.894 -10.517 -11.321 1.00 11.54 C ATOM 809 C ASP A 50 -32.042 -9.167 -12.016 1.00 51.11 C ATOM 810 O ASP A 50 -31.782 -8.120 -11.423 1.00 41.31 O ATOM 811 CB ASP A 50 -30.471 -11.046 -11.504 1.00 41.44 C ATOM 812 CG ASP A 50 -30.198 -12.277 -10.663 1.00 60.25 C ATOM 813 OD1 ASP A 50 -30.769 -12.379 -9.558 1.00 12.32 O ATOM 814 OD2 ASP A 50 -29.413 -13.139 -11.111 1.00 25.44 O ATOM 0 H ASP A 50 -32.450 -12.331 -12.212 1.00 52.42 H new ATOM 0 HA ASP A 50 -32.088 -10.380 -10.257 1.00 11.54 H new ATOM 0 HB2 ASP A 50 -30.307 -11.284 -12.555 1.00 41.44 H new ATOM 0 HB3 ASP A 50 -29.759 -10.264 -11.240 1.00 41.44 H new ATOM 819 N TYR A 51 -32.460 -9.199 -13.276 1.00 72.55 N ATOM 820 CA TYR A 51 -32.639 -7.979 -14.054 1.00 73.21 C ATOM 821 C TYR A 51 -34.043 -7.412 -13.863 1.00 23.32 C ATOM 822 O TYR A 51 -34.273 -6.219 -14.051 1.00 55.31 O ATOM 823 CB TYR A 51 -32.386 -8.253 -15.538 1.00 4.15 C ATOM 824 CG TYR A 51 -30.927 -8.465 -15.873 1.00 43.54 C ATOM 825 CD1 TYR A 51 -29.979 -7.490 -15.586 1.00 51.30 C ATOM 826 CD2 TYR A 51 -30.496 -9.638 -16.479 1.00 22.42 C ATOM 827 CE1 TYR A 51 -28.645 -7.678 -15.892 1.00 30.14 C ATOM 828 CE2 TYR A 51 -29.164 -9.836 -16.787 1.00 23.14 C ATOM 829 CZ TYR A 51 -28.242 -8.853 -16.491 1.00 73.14 C ATOM 830 OH TYR A 51 -26.915 -9.046 -16.798 1.00 3.33 O ATOM 0 H TYR A 51 -32.681 -10.057 -13.781 1.00 72.55 H new ATOM 0 HA TYR A 51 -31.917 -7.243 -13.699 1.00 73.21 H new ATOM 0 HB2 TYR A 51 -32.951 -9.136 -15.838 1.00 4.15 H new ATOM 0 HB3 TYR A 51 -32.767 -7.416 -16.124 1.00 4.15 H new ATOM 0 HD1 TYR A 51 -30.291 -6.569 -15.115 1.00 51.30 H new ATOM 0 HD2 TYR A 51 -31.215 -10.409 -16.714 1.00 22.42 H new ATOM 0 HE1 TYR A 51 -27.922 -6.909 -15.663 1.00 30.14 H new ATOM 0 HE2 TYR A 51 -28.846 -10.755 -17.257 1.00 23.14 H new ATOM 0 HH TYR A 51 -26.498 -8.183 -17.005 1.00 3.33 H new ATOM 840 N GLY A 52 -34.978 -8.279 -13.486 1.00 21.20 N ATOM 841 CA GLY A 52 -36.347 -7.848 -13.274 1.00 52.33 C ATOM 842 C GLY A 52 -37.321 -8.528 -14.216 1.00 15.15 C ATOM 843 O GLY A 52 -37.716 -9.671 -13.989 1.00 74.25 O ATOM 0 H GLY A 52 -34.811 -9.272 -13.324 1.00 21.20 H new ATOM 0 HA2 GLY A 52 -36.636 -8.058 -12.244 1.00 52.33 H new ATOM 0 HA3 GLY A 52 -36.410 -6.768 -13.409 1.00 52.33 H new ATOM 847 N GLU A 53 -37.711 -7.823 -15.273 1.00 1.40 N ATOM 848 CA GLU A 53 -38.647 -8.366 -16.250 1.00 13.31 C ATOM 849 C GLU A 53 -38.243 -7.972 -17.668 1.00 35.11 C ATOM 850 O GLU A 53 -39.062 -7.992 -18.586 1.00 33.32 O ATOM 851 CB GLU A 53 -40.066 -7.874 -15.957 1.00 74.30 C ATOM 852 CG GLU A 53 -40.166 -6.368 -15.787 1.00 1.32 C ATOM 853 CD GLU A 53 -41.483 -5.810 -16.289 1.00 13.41 C ATOM 854 OE1 GLU A 53 -42.475 -5.857 -15.530 1.00 64.15 O ATOM 855 OE2 GLU A 53 -41.524 -5.326 -17.439 1.00 45.32 O ATOM 0 H GLU A 53 -37.393 -6.875 -15.475 1.00 1.40 H new ATOM 0 HA GLU A 53 -38.623 -9.453 -16.173 1.00 13.31 H new ATOM 0 HB2 GLU A 53 -40.724 -8.184 -16.769 1.00 74.30 H new ATOM 0 HB3 GLU A 53 -40.429 -8.358 -15.051 1.00 74.30 H new ATOM 0 HG2 GLU A 53 -40.047 -6.117 -14.733 1.00 1.32 H new ATOM 0 HG3 GLU A 53 -39.346 -5.890 -16.323 1.00 1.32 H new ATOM 862 N ASN A 54 -36.975 -7.614 -17.838 1.00 1.34 N ATOM 863 CA ASN A 54 -36.462 -7.214 -19.143 1.00 23.01 C ATOM 864 C ASN A 54 -34.949 -7.397 -19.212 1.00 63.40 C ATOM 865 O ASN A 54 -34.179 -6.438 -19.164 1.00 12.52 O ATOM 866 CB ASN A 54 -36.824 -5.756 -19.432 1.00 3.33 C ATOM 867 CG ASN A 54 -38.289 -5.582 -19.781 1.00 12.02 C ATOM 868 OD1 ASN A 54 -38.704 -5.837 -20.912 1.00 1.15 O ATOM 869 ND2 ASN A 54 -39.081 -5.146 -18.808 1.00 52.43 N ATOM 0 H ASN A 54 -36.284 -7.593 -17.088 1.00 1.34 H new ATOM 0 HA ASN A 54 -36.922 -7.852 -19.897 1.00 23.01 H new ATOM 0 HB2 ASN A 54 -36.586 -5.146 -18.561 1.00 3.33 H new ATOM 0 HB3 ASN A 54 -36.211 -5.389 -20.255 1.00 3.33 H new ATOM 0 HD21 ASN A 54 -40.077 -5.010 -18.983 1.00 52.43 H new ATOM 0 HD22 ASN A 54 -38.694 -4.947 -17.886 1.00 52.43 H new ATOM 876 N PRO A 55 -34.510 -8.660 -19.328 1.00 54.34 N ATOM 877 CA PRO A 55 -33.087 -8.999 -19.408 1.00 24.11 C ATOM 878 C PRO A 55 -32.458 -8.556 -20.724 1.00 44.33 C ATOM 879 O PRO A 55 -33.146 -8.188 -21.677 1.00 32.55 O ATOM 880 CB PRO A 55 -33.079 -10.526 -19.299 1.00 53.03 C ATOM 881 CG PRO A 55 -34.421 -10.947 -19.792 1.00 23.20 C ATOM 882 CD PRO A 55 -35.371 -9.853 -19.392 1.00 12.22 C ATOM 0 HA PRO A 55 -32.505 -8.499 -18.633 1.00 24.11 H new ATOM 0 HB2 PRO A 55 -32.281 -10.962 -19.901 1.00 53.03 H new ATOM 0 HB3 PRO A 55 -32.916 -10.849 -18.271 1.00 53.03 H new ATOM 0 HG2 PRO A 55 -34.415 -11.082 -20.874 1.00 23.20 H new ATOM 0 HG3 PRO A 55 -34.716 -11.900 -19.353 1.00 23.20 H new ATOM 0 HD2 PRO A 55 -36.173 -9.731 -20.120 1.00 12.22 H new ATOM 0 HD3 PRO A 55 -35.842 -10.061 -18.431 1.00 12.22 H new ATOM 890 N PRO A 56 -31.118 -8.590 -20.782 1.00 60.02 N ATOM 891 CA PRO A 56 -30.367 -8.196 -21.978 1.00 1.23 C ATOM 892 C PRO A 56 -30.540 -9.187 -23.124 1.00 5.23 C ATOM 893 O PRO A 56 -30.922 -10.338 -22.911 1.00 64.12 O ATOM 894 CB PRO A 56 -28.914 -8.183 -21.496 1.00 31.31 C ATOM 895 CG PRO A 56 -28.888 -9.131 -20.347 1.00 21.12 C ATOM 896 CD PRO A 56 -30.233 -9.017 -19.685 1.00 53.11 C ATOM 0 HA PRO A 56 -30.707 -7.240 -22.376 1.00 1.23 H new ATOM 0 HB2 PRO A 56 -28.232 -8.499 -22.285 1.00 31.31 H new ATOM 0 HB3 PRO A 56 -28.607 -7.183 -21.191 1.00 31.31 H new ATOM 0 HG2 PRO A 56 -28.705 -10.151 -20.686 1.00 21.12 H new ATOM 0 HG3 PRO A 56 -28.088 -8.879 -19.651 1.00 21.12 H new ATOM 0 HD2 PRO A 56 -30.552 -9.968 -19.258 1.00 53.11 H new ATOM 0 HD3 PRO A 56 -30.221 -8.290 -18.873 1.00 53.11 H new ATOM 904 N THR A 57 -30.255 -8.733 -24.341 1.00 12.14 N ATOM 905 CA THR A 57 -30.380 -9.579 -25.520 1.00 63.44 C ATOM 906 C THR A 57 -29.550 -10.850 -25.375 1.00 73.14 C ATOM 907 O THR A 57 -29.849 -11.872 -25.994 1.00 43.52 O ATOM 908 CB THR A 57 -29.939 -8.835 -26.795 1.00 10.11 C ATOM 909 OG1 THR A 57 -30.189 -9.647 -27.948 1.00 2.14 O ATOM 910 CG2 THR A 57 -28.462 -8.478 -26.730 1.00 24.51 C ATOM 0 H THR A 57 -29.936 -7.784 -24.535 1.00 12.14 H new ATOM 0 HA THR A 57 -31.434 -9.844 -25.609 1.00 63.44 H new ATOM 0 HB THR A 57 -30.516 -7.913 -26.869 1.00 10.11 H new ATOM 0 HG1 THR A 57 -29.907 -9.166 -28.754 1.00 2.14 H new ATOM 0 HG21 THR A 57 -28.174 -7.954 -27.641 1.00 24.51 H new ATOM 0 HG22 THR A 57 -28.281 -7.835 -25.869 1.00 24.51 H new ATOM 0 HG23 THR A 57 -27.871 -9.389 -26.634 1.00 24.51 H new ATOM 918 N SER A 58 -28.508 -10.780 -24.554 1.00 21.43 N ATOM 919 CA SER A 58 -27.633 -11.925 -24.330 1.00 30.32 C ATOM 920 C SER A 58 -28.376 -13.043 -23.605 1.00 73.42 C ATOM 921 O SER A 58 -27.914 -14.184 -23.559 1.00 53.03 O ATOM 922 CB SER A 58 -26.405 -11.505 -23.520 1.00 32.14 C ATOM 923 OG SER A 58 -26.749 -10.549 -22.532 1.00 43.52 O ATOM 0 H SER A 58 -28.249 -9.943 -24.033 1.00 21.43 H new ATOM 0 HA SER A 58 -27.308 -12.298 -25.301 1.00 30.32 H new ATOM 0 HB2 SER A 58 -25.962 -12.380 -23.045 1.00 32.14 H new ATOM 0 HB3 SER A 58 -25.651 -11.088 -24.187 1.00 32.14 H new ATOM 0 HG SER A 58 -26.471 -9.657 -22.829 1.00 43.52 H new ATOM 929 N CYS A 59 -29.531 -12.708 -23.040 1.00 30.03 N ATOM 930 CA CYS A 59 -30.340 -13.681 -22.316 1.00 60.43 C ATOM 931 C CYS A 59 -31.119 -14.568 -23.284 1.00 1.12 C ATOM 932 O CYS A 59 -31.482 -15.696 -22.953 1.00 33.44 O ATOM 933 CB CYS A 59 -31.307 -12.969 -21.369 1.00 52.41 C ATOM 934 SG CYS A 59 -32.535 -14.069 -20.594 1.00 1.22 S ATOM 0 H CYS A 59 -29.928 -11.769 -23.070 1.00 30.03 H new ATOM 0 HA CYS A 59 -29.669 -14.311 -21.732 1.00 60.43 H new ATOM 0 HB2 CYS A 59 -30.733 -12.474 -20.586 1.00 52.41 H new ATOM 0 HB3 CYS A 59 -31.831 -12.189 -21.921 1.00 52.41 H new ATOM 939 N SER A 60 -31.371 -14.049 -24.481 1.00 52.50 N ATOM 940 CA SER A 60 -32.110 -14.791 -25.496 1.00 2.30 C ATOM 941 C SER A 60 -31.272 -14.964 -26.759 1.00 71.13 C ATOM 942 O SER A 60 -30.329 -14.211 -27.001 1.00 65.23 O ATOM 943 CB SER A 60 -33.418 -14.072 -25.832 1.00 61.34 C ATOM 944 OG SER A 60 -33.264 -12.666 -25.746 1.00 73.21 O ATOM 0 H SER A 60 -31.074 -13.117 -24.772 1.00 52.50 H new ATOM 0 HA SER A 60 -32.339 -15.778 -25.095 1.00 2.30 H new ATOM 0 HB2 SER A 60 -33.739 -14.345 -26.837 1.00 61.34 H new ATOM 0 HB3 SER A 60 -34.202 -14.398 -25.148 1.00 61.34 H new ATOM 0 HG SER A 60 -34.113 -12.230 -25.967 1.00 73.21 H new ATOM 950 N LYS A 61 -31.624 -15.962 -27.562 1.00 70.44 N ATOM 951 CA LYS A 61 -30.907 -16.237 -28.802 1.00 54.53 C ATOM 952 C LYS A 61 -31.781 -17.025 -29.773 1.00 21.44 C ATOM 953 O LYS A 61 -32.496 -17.945 -29.372 1.00 44.55 O ATOM 954 CB LYS A 61 -29.621 -17.013 -28.511 1.00 40.40 C ATOM 955 CG LYS A 61 -28.440 -16.571 -29.358 1.00 24.35 C ATOM 956 CD LYS A 61 -28.422 -17.278 -30.702 1.00 73.15 C ATOM 957 CE LYS A 61 -28.183 -18.772 -30.544 1.00 42.21 C ATOM 958 NZ LYS A 61 -27.003 -19.056 -29.681 1.00 41.02 N ATOM 0 H LYS A 61 -32.402 -16.595 -27.376 1.00 70.44 H new ATOM 0 HA LYS A 61 -30.651 -15.283 -29.263 1.00 54.53 H new ATOM 0 HB2 LYS A 61 -29.366 -16.896 -27.458 1.00 40.40 H new ATOM 0 HB3 LYS A 61 -29.801 -18.075 -28.679 1.00 40.40 H new ATOM 0 HG2 LYS A 61 -28.486 -15.493 -29.514 1.00 24.35 H new ATOM 0 HG3 LYS A 61 -27.512 -16.777 -28.825 1.00 24.35 H new ATOM 0 HD2 LYS A 61 -29.370 -17.112 -31.214 1.00 73.15 H new ATOM 0 HD3 LYS A 61 -27.641 -16.848 -31.330 1.00 73.15 H new ATOM 0 HE2 LYS A 61 -29.069 -19.238 -30.113 1.00 42.21 H new ATOM 0 HE3 LYS A 61 -28.032 -19.222 -31.525 1.00 42.21 H new ATOM 0 HZ1 LYS A 61 -26.697 -20.040 -29.824 1.00 41.02 H new ATOM 0 HZ2 LYS A 61 -26.226 -18.412 -29.932 1.00 41.02 H new ATOM 0 HZ3 LYS A 61 -27.261 -18.915 -28.683 1.00 41.02 H new ATOM 972 N ASP A 62 -31.717 -16.661 -31.049 1.00 32.45 N ATOM 973 CA ASP A 62 -32.501 -17.337 -32.076 1.00 64.14 C ATOM 974 C ASP A 62 -33.981 -17.355 -31.707 1.00 64.43 C ATOM 975 O ASP A 62 -34.725 -18.240 -32.128 1.00 41.13 O ATOM 976 CB ASP A 62 -31.994 -18.766 -32.276 1.00 73.44 C ATOM 977 CG ASP A 62 -30.923 -18.857 -33.346 1.00 34.04 C ATOM 978 OD1 ASP A 62 -30.997 -18.087 -34.326 1.00 14.35 O ATOM 979 OD2 ASP A 62 -30.012 -19.699 -33.203 1.00 3.20 O ATOM 0 H ASP A 62 -31.131 -15.902 -31.397 1.00 32.45 H new ATOM 0 HA ASP A 62 -32.385 -16.785 -33.009 1.00 64.14 H new ATOM 0 HB2 ASP A 62 -31.595 -19.142 -31.334 1.00 73.44 H new ATOM 0 HB3 ASP A 62 -32.830 -19.410 -32.548 1.00 73.44 H new ATOM 984 N GLY A 63 -34.401 -16.372 -30.916 1.00 64.54 N ATOM 985 CA GLY A 63 -35.789 -16.295 -30.503 1.00 34.13 C ATOM 986 C GLY A 63 -36.107 -17.239 -29.360 1.00 14.21 C ATOM 987 O GLY A 63 -37.251 -17.665 -29.197 1.00 2.13 O ATOM 0 H GLY A 63 -33.804 -15.628 -30.554 1.00 64.54 H new ATOM 0 HA2 GLY A 63 -36.019 -15.273 -30.201 1.00 34.13 H new ATOM 0 HA3 GLY A 63 -36.431 -16.528 -31.352 1.00 34.13 H new ATOM 991 N VAL A 64 -35.093 -17.568 -28.567 1.00 21.05 N ATOM 992 CA VAL A 64 -35.270 -18.468 -27.433 1.00 64.02 C ATOM 993 C VAL A 64 -34.790 -17.822 -26.138 1.00 52.23 C ATOM 994 O VAL A 64 -33.949 -16.924 -26.156 1.00 64.13 O ATOM 995 CB VAL A 64 -34.512 -19.792 -27.644 1.00 64.14 C ATOM 996 CG1 VAL A 64 -33.084 -19.678 -27.133 1.00 1.15 C ATOM 997 CG2 VAL A 64 -35.242 -20.938 -26.961 1.00 23.41 C ATOM 0 H VAL A 64 -34.140 -17.225 -28.688 1.00 21.05 H new ATOM 0 HA VAL A 64 -36.337 -18.676 -27.358 1.00 64.02 H new ATOM 0 HB VAL A 64 -34.473 -20.002 -28.713 1.00 64.14 H new ATOM 0 HG11 VAL A 64 -32.565 -20.623 -27.291 1.00 1.15 H new ATOM 0 HG12 VAL A 64 -32.567 -18.885 -27.673 1.00 1.15 H new ATOM 0 HG13 VAL A 64 -33.096 -19.444 -26.068 1.00 1.15 H new ATOM 0 HG21 VAL A 64 -34.693 -21.866 -27.120 1.00 23.41 H new ATOM 0 HG22 VAL A 64 -35.314 -20.738 -25.892 1.00 23.41 H new ATOM 0 HG23 VAL A 64 -36.244 -21.033 -27.381 1.00 23.41 H new ATOM 1007 N GLN A 65 -35.332 -18.285 -25.016 1.00 63.14 N ATOM 1008 CA GLN A 65 -34.959 -17.751 -23.712 1.00 22.43 C ATOM 1009 C GLN A 65 -34.170 -18.780 -22.908 1.00 44.22 C ATOM 1010 O GLN A 65 -34.522 -19.959 -22.874 1.00 64.11 O ATOM 1011 CB GLN A 65 -36.207 -17.328 -22.935 1.00 24.13 C ATOM 1012 CG GLN A 65 -35.938 -16.257 -21.890 1.00 34.24 C ATOM 1013 CD GLN A 65 -36.169 -16.751 -20.475 1.00 71.42 C ATOM 1014 OE1 GLN A 65 -37.099 -17.517 -20.216 1.00 45.44 O ATOM 1015 NE2 GLN A 65 -35.322 -16.316 -19.550 1.00 41.20 N ATOM 0 H GLN A 65 -36.030 -19.028 -24.984 1.00 63.14 H new ATOM 0 HA GLN A 65 -34.326 -16.878 -23.872 1.00 22.43 H new ATOM 0 HB2 GLN A 65 -36.955 -16.959 -23.637 1.00 24.13 H new ATOM 0 HB3 GLN A 65 -36.634 -18.203 -22.445 1.00 24.13 H new ATOM 0 HG2 GLN A 65 -34.909 -15.911 -21.986 1.00 34.24 H new ATOM 0 HG3 GLN A 65 -36.582 -15.399 -22.081 1.00 34.24 H new ATOM 0 HE21 GLN A 65 -34.566 -15.682 -19.809 1.00 41.20 H new ATOM 0 HE22 GLN A 65 -35.427 -16.616 -18.581 1.00 41.20 H new ATOM 1024 N PHE A 66 -33.100 -18.325 -22.263 1.00 35.31 N ATOM 1025 CA PHE A 66 -32.260 -19.206 -21.460 1.00 71.44 C ATOM 1026 C PHE A 66 -32.754 -19.263 -20.018 1.00 24.14 C ATOM 1027 O PHE A 66 -32.586 -18.312 -19.253 1.00 51.04 O ATOM 1028 CB PHE A 66 -30.806 -18.731 -21.496 1.00 12.23 C ATOM 1029 CG PHE A 66 -30.211 -18.725 -22.875 1.00 24.15 C ATOM 1030 CD1 PHE A 66 -30.452 -19.770 -23.752 1.00 1.00 C ATOM 1031 CD2 PHE A 66 -29.410 -17.675 -23.293 1.00 41.24 C ATOM 1032 CE1 PHE A 66 -29.904 -19.768 -25.021 1.00 14.51 C ATOM 1033 CE2 PHE A 66 -28.860 -17.667 -24.562 1.00 0.45 C ATOM 1034 CZ PHE A 66 -29.109 -18.714 -25.427 1.00 25.03 C ATOM 0 H PHE A 66 -32.795 -17.352 -22.281 1.00 35.31 H new ATOM 0 HA PHE A 66 -32.318 -20.208 -21.884 1.00 71.44 H new ATOM 0 HB2 PHE A 66 -30.751 -17.725 -21.081 1.00 12.23 H new ATOM 0 HB3 PHE A 66 -30.206 -19.375 -20.853 1.00 12.23 H new ATOM 0 HD1 PHE A 66 -31.075 -20.595 -23.441 1.00 1.00 H new ATOM 0 HD2 PHE A 66 -29.213 -16.853 -22.620 1.00 41.24 H new ATOM 0 HE1 PHE A 66 -30.097 -20.590 -25.694 1.00 14.51 H new ATOM 0 HE2 PHE A 66 -28.237 -16.843 -24.876 1.00 0.45 H new ATOM 0 HZ PHE A 66 -28.683 -18.709 -26.419 1.00 25.03 H new ATOM 1044 N THR A 67 -33.364 -20.386 -19.651 1.00 11.20 N ATOM 1045 CA THR A 67 -33.884 -20.567 -18.302 1.00 30.44 C ATOM 1046 C THR A 67 -32.838 -21.199 -17.390 1.00 11.32 C ATOM 1047 O THR A 67 -33.134 -22.131 -16.644 1.00 33.41 O ATOM 1048 CB THR A 67 -35.148 -21.448 -18.300 1.00 51.34 C ATOM 1049 OG1 THR A 67 -34.951 -22.590 -19.141 1.00 45.23 O ATOM 1050 CG2 THR A 67 -36.357 -20.660 -18.782 1.00 43.34 C ATOM 0 H THR A 67 -33.510 -21.184 -20.270 1.00 11.20 H new ATOM 0 HA THR A 67 -34.140 -19.576 -17.927 1.00 30.44 H new ATOM 0 HB THR A 67 -35.332 -21.778 -17.278 1.00 51.34 H new ATOM 0 HG1 THR A 67 -35.758 -23.145 -19.133 1.00 45.23 H new ATOM 0 HG21 THR A 67 -37.238 -21.302 -18.772 1.00 43.34 H new ATOM 0 HG22 THR A 67 -36.522 -19.808 -18.123 1.00 43.34 H new ATOM 0 HG23 THR A 67 -36.179 -20.305 -19.797 1.00 43.34 H new ATOM 1058 N GLU A 68 -31.614 -20.683 -17.455 1.00 34.32 N ATOM 1059 CA GLU A 68 -30.525 -21.198 -16.634 1.00 22.12 C ATOM 1060 C GLU A 68 -29.652 -20.060 -16.112 1.00 60.23 C ATOM 1061 O GLU A 68 -29.471 -19.045 -16.783 1.00 4.11 O ATOM 1062 CB GLU A 68 -29.672 -22.182 -17.437 1.00 73.44 C ATOM 1063 CG GLU A 68 -30.375 -23.497 -17.732 1.00 53.33 C ATOM 1064 CD GLU A 68 -30.483 -24.388 -16.510 1.00 13.40 C ATOM 1065 OE1 GLU A 68 -29.576 -24.331 -15.653 1.00 54.42 O ATOM 1066 OE2 GLU A 68 -31.474 -25.141 -16.410 1.00 63.52 O ATOM 0 H GLU A 68 -31.353 -19.910 -18.067 1.00 34.32 H new ATOM 0 HA GLU A 68 -30.962 -21.719 -15.782 1.00 22.12 H new ATOM 0 HB2 GLU A 68 -29.383 -21.715 -18.379 1.00 73.44 H new ATOM 0 HB3 GLU A 68 -28.753 -22.386 -16.887 1.00 73.44 H new ATOM 0 HG2 GLU A 68 -31.374 -23.292 -18.117 1.00 53.33 H new ATOM 0 HG3 GLU A 68 -29.833 -24.026 -18.516 1.00 53.33 H new ATOM 1073 N GLY A 69 -29.114 -20.238 -14.909 1.00 62.35 N ATOM 1074 CA GLY A 69 -28.267 -19.219 -14.317 1.00 73.23 C ATOM 1075 C GLY A 69 -26.854 -19.249 -14.865 1.00 31.32 C ATOM 1076 O GLY A 69 -26.517 -20.100 -15.689 1.00 34.33 O ATOM 0 H GLY A 69 -29.250 -21.070 -14.334 1.00 62.35 H new ATOM 0 HA2 GLY A 69 -28.703 -18.237 -14.500 1.00 73.23 H new ATOM 0 HA3 GLY A 69 -28.237 -19.358 -13.236 1.00 73.23 H new ATOM 1080 N CYS A 70 -26.024 -18.317 -14.408 1.00 33.30 N ATOM 1081 CA CYS A 70 -24.640 -18.238 -14.858 1.00 60.22 C ATOM 1082 C CYS A 70 -23.693 -18.811 -13.808 1.00 22.31 C ATOM 1083 O CYS A 70 -22.716 -19.484 -14.139 1.00 74.44 O ATOM 1084 CB CYS A 70 -24.263 -16.787 -15.163 1.00 71.11 C ATOM 1085 SG CYS A 70 -24.821 -16.201 -16.795 1.00 71.23 S ATOM 0 H CYS A 70 -26.287 -17.606 -13.726 1.00 33.30 H new ATOM 0 HA CYS A 70 -24.546 -18.830 -15.768 1.00 60.22 H new ATOM 0 HB2 CYS A 70 -24.688 -16.143 -14.393 1.00 71.11 H new ATOM 0 HB3 CYS A 70 -23.180 -16.684 -15.103 1.00 71.11 H new ATOM 1090 N ILE A 71 -23.989 -18.540 -12.541 1.00 43.34 N ATOM 1091 CA ILE A 71 -23.165 -19.029 -11.443 1.00 61.20 C ATOM 1092 C ILE A 71 -23.064 -20.551 -11.468 1.00 4.55 C ATOM 1093 O ILE A 71 -22.034 -21.121 -11.106 1.00 73.43 O ATOM 1094 CB ILE A 71 -23.724 -18.585 -10.079 1.00 32.15 C ATOM 1095 CG1 ILE A 71 -23.795 -17.058 -10.004 1.00 62.52 C ATOM 1096 CG2 ILE A 71 -22.866 -19.137 -8.950 1.00 13.44 C ATOM 1097 CD1 ILE A 71 -24.641 -16.548 -8.859 1.00 53.23 C ATOM 0 H ILE A 71 -24.793 -17.984 -12.250 1.00 43.34 H new ATOM 0 HA ILE A 71 -22.172 -18.599 -11.577 1.00 61.20 H new ATOM 0 HB ILE A 71 -24.733 -18.982 -9.970 1.00 32.15 H new ATOM 0 HG12 ILE A 71 -22.785 -16.660 -9.904 1.00 62.52 H new ATOM 0 HG13 ILE A 71 -24.198 -16.675 -10.942 1.00 62.52 H new ATOM 0 HG21 ILE A 71 -23.274 -18.815 -7.992 1.00 13.44 H new ATOM 0 HG22 ILE A 71 -22.862 -20.226 -8.995 1.00 13.44 H new ATOM 0 HG23 ILE A 71 -21.846 -18.766 -9.053 1.00 13.44 H new ATOM 0 HD11 ILE A 71 -24.646 -15.458 -8.868 1.00 53.23 H new ATOM 0 HD12 ILE A 71 -25.661 -16.916 -8.968 1.00 53.23 H new ATOM 0 HD13 ILE A 71 -24.227 -16.901 -7.915 1.00 53.23 H new ATOM 1109 N LYS A 72 -24.138 -21.203 -11.898 1.00 13.32 N ATOM 1110 CA LYS A 72 -24.171 -22.658 -11.973 1.00 72.44 C ATOM 1111 C LYS A 72 -23.550 -23.150 -13.277 1.00 53.32 C ATOM 1112 O LYS A 72 -22.842 -24.157 -13.299 1.00 53.32 O ATOM 1113 CB LYS A 72 -25.611 -23.163 -11.860 1.00 75.11 C ATOM 1114 CG LYS A 72 -26.344 -22.641 -10.636 1.00 73.33 C ATOM 1115 CD LYS A 72 -27.075 -21.343 -10.935 1.00 44.22 C ATOM 1116 CE LYS A 72 -28.309 -21.184 -10.061 1.00 75.04 C ATOM 1117 NZ LYS A 72 -29.348 -22.203 -10.378 1.00 60.23 N ATOM 0 H LYS A 72 -24.998 -20.746 -12.200 1.00 13.32 H new ATOM 0 HA LYS A 72 -23.588 -23.053 -11.141 1.00 72.44 H new ATOM 0 HB2 LYS A 72 -26.161 -22.871 -12.755 1.00 75.11 H new ATOM 0 HB3 LYS A 72 -25.604 -24.253 -11.832 1.00 75.11 H new ATOM 0 HG2 LYS A 72 -27.057 -23.390 -10.291 1.00 73.33 H new ATOM 0 HG3 LYS A 72 -25.633 -22.481 -9.826 1.00 73.33 H new ATOM 0 HD2 LYS A 72 -26.403 -20.500 -10.774 1.00 44.22 H new ATOM 0 HD3 LYS A 72 -27.366 -21.322 -11.985 1.00 44.22 H new ATOM 0 HE2 LYS A 72 -28.025 -21.269 -9.012 1.00 75.04 H new ATOM 0 HE3 LYS A 72 -28.725 -20.186 -10.198 1.00 75.04 H new ATOM 0 HZ1 LYS A 72 -30.284 -21.840 -10.106 1.00 60.23 H new ATOM 0 HZ2 LYS A 72 -29.337 -22.404 -11.398 1.00 60.23 H new ATOM 0 HZ3 LYS A 72 -29.149 -23.077 -9.851 1.00 60.23 H new ATOM 1131 N LYS A 73 -23.819 -22.432 -14.362 1.00 43.44 N ATOM 1132 CA LYS A 73 -23.285 -22.792 -15.670 1.00 65.04 C ATOM 1133 C LYS A 73 -21.762 -22.695 -15.682 1.00 53.41 C ATOM 1134 O LYS A 73 -21.074 -23.624 -16.104 1.00 30.24 O ATOM 1135 CB LYS A 73 -23.873 -21.883 -16.752 1.00 64.43 C ATOM 1136 CG LYS A 73 -25.239 -22.329 -17.244 1.00 42.12 C ATOM 1137 CD LYS A 73 -25.124 -23.290 -18.416 1.00 4.24 C ATOM 1138 CE LYS A 73 -25.067 -24.736 -17.947 1.00 3.30 C ATOM 1139 NZ LYS A 73 -25.357 -25.689 -19.053 1.00 60.34 N ATOM 0 H LYS A 73 -24.404 -21.597 -14.361 1.00 43.44 H new ATOM 0 HA LYS A 73 -23.567 -23.824 -15.878 1.00 65.04 H new ATOM 0 HB2 LYS A 73 -23.950 -20.869 -16.360 1.00 64.43 H new ATOM 0 HB3 LYS A 73 -23.186 -21.847 -17.597 1.00 64.43 H new ATOM 0 HG2 LYS A 73 -25.781 -22.810 -16.430 1.00 42.12 H new ATOM 0 HG3 LYS A 73 -25.821 -21.457 -17.543 1.00 42.12 H new ATOM 0 HD2 LYS A 73 -25.976 -23.156 -19.083 1.00 4.24 H new ATOM 0 HD3 LYS A 73 -24.228 -23.058 -18.992 1.00 4.24 H new ATOM 0 HE2 LYS A 73 -24.079 -24.946 -17.536 1.00 3.30 H new ATOM 0 HE3 LYS A 73 -25.786 -24.885 -17.141 1.00 3.30 H new ATOM 0 HZ1 LYS A 73 -25.308 -26.664 -18.693 1.00 60.34 H new ATOM 0 HZ2 LYS A 73 -26.309 -25.506 -19.429 1.00 60.34 H new ATOM 0 HZ3 LYS A 73 -24.656 -25.565 -19.811 1.00 60.34 H new