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 33 LYS NZ :NH3+ 179:sc= 0.0921 (180deg=-0.121) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0.183 USER MOD Set 1.3: A 66 SER OG : rot 136:sc= 0.54 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 130:sc= 0.197 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.13) USER MOD Single : A 26 ASN : amide:sc= -0.503 K(o=-0.5,f=-4.5!) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.564 USER MOD Single : A 29 GLN : amide:sc= -0.439 K(o=-0.44,f=-4.5!) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.745 (180deg=-0.0224) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.039 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0192 (180deg=-0.231) 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 44 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-5.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= 1.12 (180deg=1.04) 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=-0.76) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00907 K(o=-0.0091,f=-2.1!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -1.42! (180deg=-1.78!) USER MOD Single : A 74 TYR OH : rot 93:sc= 0.027 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0561) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 16 11.522 21.420 -22.382 1.00 0.00 N ATOM 242 CA THR A 16 12.636 22.257 -22.111 1.00 0.00 C ATOM 243 C THR A 16 13.464 21.617 -21.026 1.00 0.00 C ATOM 244 O THR A 16 13.058 20.606 -20.460 1.00 0.00 O ATOM 245 CB THR A 16 12.208 23.697 -21.713 1.00 0.00 C ATOM 246 OG1 THR A 16 13.346 24.482 -21.325 1.00 0.00 O ATOM 247 CG2 THR A 16 11.183 23.678 -20.588 1.00 0.00 C ATOM 0 HA THR A 16 13.228 22.359 -23.021 1.00 0.00 H new ATOM 0 HB THR A 16 11.749 24.154 -22.590 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.053 25.385 -21.080 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.904 24.700 -20.333 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.298 23.130 -20.911 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.612 23.190 -19.713 1.00 0.00 H new ATOM 255 N TYR A 17 14.609 22.187 -20.741 1.00 0.00 N ATOM 256 CA TYR A 17 15.500 21.648 -19.720 1.00 0.00 C ATOM 257 C TYR A 17 14.818 21.626 -18.374 1.00 0.00 C ATOM 258 O TYR A 17 15.057 20.745 -17.564 1.00 0.00 O ATOM 259 CB TYR A 17 16.798 22.445 -19.661 1.00 0.00 C ATOM 260 CG TYR A 17 17.724 22.156 -20.829 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.111 20.852 -21.118 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.197 23.173 -21.648 1.00 0.00 C ATOM 263 CE1 TYR A 17 18.942 20.570 -22.181 1.00 0.00 C ATOM 264 CE2 TYR A 17 19.032 22.897 -22.717 1.00 0.00 C ATOM 265 CZ TYR A 17 19.400 21.593 -22.978 1.00 0.00 C ATOM 266 OH TYR A 17 20.232 21.313 -24.037 1.00 0.00 O ATOM 0 H TYR A 17 14.955 23.030 -21.200 1.00 0.00 H new ATOM 0 HA TYR A 17 15.747 20.621 -19.990 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.564 23.509 -19.644 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.316 22.218 -18.729 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.753 20.044 -20.497 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.909 24.194 -21.448 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.232 19.550 -22.387 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.394 23.699 -23.344 1.00 0.00 H new ATOM 0 HH TYR A 17 20.464 22.145 -24.500 1.00 0.00 H new ATOM 276 N TYR A 18 13.947 22.581 -18.157 1.00 0.00 N ATOM 277 CA TYR A 18 13.189 22.661 -16.953 1.00 0.00 C ATOM 278 C TYR A 18 12.176 21.521 -16.903 1.00 0.00 C ATOM 279 O TYR A 18 11.910 20.966 -15.845 1.00 0.00 O ATOM 280 CB TYR A 18 12.494 24.006 -16.897 1.00 0.00 C ATOM 281 CG TYR A 18 13.436 25.187 -16.748 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.416 25.461 -17.707 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.323 26.046 -15.665 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.252 26.552 -17.579 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.158 27.134 -15.530 1.00 0.00 C ATOM 286 CZ TYR A 18 15.117 27.386 -16.487 1.00 0.00 C ATOM 287 OH TYR A 18 15.946 28.477 -16.347 1.00 0.00 O ATOM 0 H TYR A 18 13.750 23.327 -18.824 1.00 0.00 H new ATOM 0 HA TYR A 18 13.847 22.567 -16.089 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.906 24.137 -17.806 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.794 24.006 -16.062 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.521 24.809 -18.561 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.568 25.859 -14.915 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.005 26.752 -18.327 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.061 27.788 -14.676 1.00 0.00 H new ATOM 0 HH TYR A 18 15.408 29.276 -16.168 1.00 0.00 H new ATOM 297 N ASP A 19 11.614 21.183 -18.067 1.00 0.00 N ATOM 298 CA ASP A 19 10.654 20.077 -18.186 1.00 0.00 C ATOM 299 C ASP A 19 11.344 18.755 -17.915 1.00 0.00 C ATOM 300 O ASP A 19 10.840 17.915 -17.177 1.00 0.00 O ATOM 301 CB ASP A 19 10.042 20.043 -19.598 1.00 0.00 C ATOM 302 CG ASP A 19 9.037 18.913 -19.770 1.00 0.00 C ATOM 303 OD1 ASP A 19 9.443 17.797 -20.144 1.00 0.00 O ATOM 304 OD2 ASP A 19 7.834 19.140 -19.515 1.00 0.00 O ATOM 0 H ASP A 19 11.808 21.662 -18.947 1.00 0.00 H new ATOM 0 HA ASP A 19 9.862 20.235 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.552 20.995 -19.801 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.839 19.931 -20.333 1.00 0.00 H new ATOM 309 N VAL A 20 12.503 18.594 -18.526 1.00 0.00 N ATOM 310 CA VAL A 20 13.321 17.402 -18.384 1.00 0.00 C ATOM 311 C VAL A 20 13.733 17.209 -16.937 1.00 0.00 C ATOM 312 O VAL A 20 13.702 16.100 -16.402 1.00 0.00 O ATOM 313 CB VAL A 20 14.596 17.515 -19.230 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.416 16.263 -19.130 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.259 17.814 -20.669 1.00 0.00 C ATOM 0 H VAL A 20 12.909 19.297 -19.144 1.00 0.00 H new ATOM 0 HA VAL A 20 12.725 16.554 -18.721 1.00 0.00 H new ATOM 0 HB VAL A 20 15.188 18.342 -18.838 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.315 16.367 -19.738 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.699 16.095 -18.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.831 15.416 -19.488 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.178 17.890 -21.250 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.640 17.012 -21.072 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.715 18.757 -20.727 1.00 0.00 H new ATOM 325 N LEU A 21 14.110 18.303 -16.315 1.00 0.00 N ATOM 326 CA LEU A 21 14.586 18.286 -14.947 1.00 0.00 C ATOM 327 C LEU A 21 13.402 18.249 -13.989 1.00 0.00 C ATOM 328 O LEU A 21 13.565 18.023 -12.787 1.00 0.00 O ATOM 329 CB LEU A 21 15.447 19.532 -14.702 1.00 0.00 C ATOM 330 CG LEU A 21 16.502 19.422 -13.598 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.575 18.417 -13.972 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.121 20.778 -13.308 1.00 0.00 C ATOM 0 H LEU A 21 14.096 19.230 -16.741 1.00 0.00 H new ATOM 0 HA LEU A 21 15.192 17.397 -14.774 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.952 19.787 -15.634 1.00 0.00 H new ATOM 0 HB3 LEU A 21 14.785 20.363 -14.460 1.00 0.00 H new ATOM 0 HG LEU A 21 16.006 19.070 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.312 18.357 -13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.120 17.438 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.064 18.733 -14.893 1.00 0.00 H new ATOM 0 HD21 LEU A 21 17.868 20.676 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.596 21.162 -14.211 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.344 21.471 -12.984 1.00 0.00 H new ATOM 344 N GLY A 22 12.202 18.426 -14.541 1.00 0.00 N ATOM 345 CA GLY A 22 11.001 18.359 -13.749 1.00 0.00 C ATOM 346 C GLY A 22 10.983 19.371 -12.637 1.00 0.00 C ATOM 347 O GLY A 22 10.663 19.042 -11.492 1.00 0.00 O ATOM 0 H GLY A 22 12.049 18.616 -15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.136 18.518 -14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.904 17.359 -13.326 1.00 0.00 H new ATOM 351 N VAL A 23 11.315 20.595 -12.963 1.00 0.00 N ATOM 352 CA VAL A 23 11.401 21.630 -11.972 1.00 0.00 C ATOM 353 C VAL A 23 10.448 22.774 -12.325 1.00 0.00 C ATOM 354 O VAL A 23 9.872 22.798 -13.418 1.00 0.00 O ATOM 355 CB VAL A 23 12.859 22.153 -11.845 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.164 23.253 -12.846 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.173 22.575 -10.418 1.00 0.00 C ATOM 0 H VAL A 23 11.531 20.897 -13.913 1.00 0.00 H new ATOM 0 HA VAL A 23 11.108 21.213 -11.008 1.00 0.00 H new ATOM 0 HB VAL A 23 13.521 21.323 -12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.194 23.586 -12.718 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.029 22.872 -13.858 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.488 24.092 -12.681 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.200 22.936 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.492 23.371 -10.116 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.052 21.721 -9.751 1.00 0.00 H new ATOM 367 N LYS A 24 10.278 23.704 -11.400 1.00 0.00 N ATOM 368 CA LYS A 24 9.379 24.829 -11.593 1.00 0.00 C ATOM 369 C LYS A 24 10.066 25.929 -12.409 1.00 0.00 C ATOM 370 O LYS A 24 11.286 26.035 -12.419 1.00 0.00 O ATOM 371 CB LYS A 24 8.943 25.399 -10.236 1.00 0.00 C ATOM 372 CG LYS A 24 8.139 24.437 -9.360 1.00 0.00 C ATOM 373 CD LYS A 24 7.840 25.042 -7.989 1.00 0.00 C ATOM 374 CE LYS A 24 9.101 25.173 -7.127 1.00 0.00 C ATOM 375 NZ LYS A 24 9.612 23.855 -6.676 1.00 0.00 N ATOM 0 H LYS A 24 10.756 23.701 -10.499 1.00 0.00 H new ATOM 0 HA LYS A 24 8.502 24.476 -12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.832 25.710 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.346 26.294 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.203 24.185 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.694 23.507 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.387 26.025 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.110 24.420 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.876 25.686 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.882 25.792 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.333 23.996 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.827 23.292 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.034 23.352 -7.482 1.00 0.00 H new ATOM 389 N PRO A 25 9.284 26.768 -13.088 1.00 0.00 N ATOM 390 CA PRO A 25 9.809 27.885 -13.886 1.00 0.00 C ATOM 391 C PRO A 25 10.407 28.984 -13.004 1.00 0.00 C ATOM 392 O PRO A 25 11.111 29.879 -13.484 1.00 0.00 O ATOM 393 CB PRO A 25 8.579 28.414 -14.641 1.00 0.00 C ATOM 394 CG PRO A 25 7.498 27.402 -14.415 1.00 0.00 C ATOM 395 CD PRO A 25 7.827 26.706 -13.132 1.00 0.00 C ATOM 0 HA PRO A 25 10.616 27.567 -14.547 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.282 29.394 -14.268 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.792 28.529 -15.704 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.522 27.884 -14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.453 26.692 -15.241 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.376 27.206 -12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.467 25.677 -13.127 1.00 0.00 H new ATOM 403 N ASN A 26 10.123 28.895 -11.719 1.00 0.00 N ATOM 404 CA ASN A 26 10.571 29.864 -10.740 1.00 0.00 C ATOM 405 C ASN A 26 11.568 29.227 -9.793 1.00 0.00 C ATOM 406 O ASN A 26 11.878 29.774 -8.730 1.00 0.00 O ATOM 407 CB ASN A 26 9.360 30.400 -9.963 1.00 0.00 C ATOM 408 CG ASN A 26 8.523 29.295 -9.308 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.036 28.259 -8.894 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.225 29.506 -9.237 1.00 0.00 N ATOM 0 H ASN A 26 9.567 28.138 -11.321 1.00 0.00 H new ATOM 0 HA ASN A 26 11.064 30.692 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.707 31.088 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.727 30.973 -10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.615 28.798 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.830 30.378 -9.590 1.00 0.00 H new ATOM 417 N ALA A 27 12.067 28.065 -10.188 1.00 0.00 N ATOM 418 CA ALA A 27 12.975 27.305 -9.376 1.00 0.00 C ATOM 419 C ALA A 27 14.317 27.997 -9.217 1.00 0.00 C ATOM 420 O ALA A 27 14.801 28.676 -10.126 1.00 0.00 O ATOM 421 CB ALA A 27 13.146 25.934 -9.971 1.00 0.00 C ATOM 0 H ALA A 27 11.846 27.631 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 27 12.549 27.219 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.835 25.354 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.180 25.430 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.547 26.023 -10.981 1.00 0.00 H new ATOM 427 N THR A 28 14.891 27.834 -8.050 1.00 0.00 N ATOM 428 CA THR A 28 16.161 28.427 -7.711 1.00 0.00 C ATOM 429 C THR A 28 17.289 27.567 -8.153 1.00 0.00 C ATOM 430 O THR A 28 17.095 26.420 -8.535 1.00 0.00 O ATOM 431 CB THR A 28 16.270 28.613 -6.198 1.00 0.00 C ATOM 432 OG1 THR A 28 16.307 27.334 -5.558 1.00 0.00 O ATOM 433 CG2 THR A 28 15.076 29.351 -5.707 1.00 0.00 C ATOM 0 H THR A 28 14.483 27.278 -7.299 1.00 0.00 H new ATOM 0 HA THR A 28 16.217 29.390 -8.218 1.00 0.00 H new ATOM 0 HB THR A 28 17.179 29.170 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.060 27.433 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.150 29.486 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.026 30.326 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.176 28.783 -5.941 1.00 0.00 H new ATOM 441 N GLN A 29 18.469 28.124 -8.101 1.00 0.00 N ATOM 442 CA GLN A 29 19.675 27.373 -8.365 1.00 0.00 C ATOM 443 C GLN A 29 19.730 26.153 -7.445 1.00 0.00 C ATOM 444 O GLN A 29 20.165 25.071 -7.842 1.00 0.00 O ATOM 445 CB GLN A 29 20.894 28.260 -8.158 1.00 0.00 C ATOM 446 CG GLN A 29 22.227 27.573 -8.428 1.00 0.00 C ATOM 447 CD GLN A 29 23.408 28.508 -8.270 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.295 29.709 -8.485 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.551 27.966 -7.901 1.00 0.00 N ATOM 0 H GLN A 29 18.625 29.106 -7.876 1.00 0.00 H new ATOM 0 HA GLN A 29 19.672 27.030 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.809 29.130 -8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.890 28.628 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.342 26.731 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.223 27.166 -9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.608 26.962 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.379 28.551 -7.786 1.00 0.00 H new ATOM 458 N GLU A 30 19.256 26.346 -6.221 1.00 0.00 N ATOM 459 CA GLU A 30 19.204 25.293 -5.225 1.00 0.00 C ATOM 460 C GLU A 30 18.189 24.237 -5.649 1.00 0.00 C ATOM 461 O GLU A 30 18.445 23.032 -5.585 1.00 0.00 O ATOM 462 CB GLU A 30 18.769 25.885 -3.892 1.00 0.00 C ATOM 463 CG GLU A 30 18.758 24.894 -2.748 1.00 0.00 C ATOM 464 CD GLU A 30 18.121 25.463 -1.504 1.00 0.00 C ATOM 465 OE1 GLU A 30 16.884 25.331 -1.353 1.00 0.00 O ATOM 466 OE2 GLU A 30 18.844 26.039 -0.673 1.00 0.00 O ATOM 0 H GLU A 30 18.896 27.242 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 30 20.190 24.838 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.436 26.709 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.770 26.306 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.218 23.997 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.780 24.590 -2.524 1.00 0.00 H new ATOM 473 N GLU A 31 17.042 24.718 -6.108 1.00 0.00 N ATOM 474 CA GLU A 31 15.946 23.891 -6.534 1.00 0.00 C ATOM 475 C GLU A 31 16.336 23.085 -7.766 1.00 0.00 C ATOM 476 O GLU A 31 15.957 21.922 -7.912 1.00 0.00 O ATOM 477 CB GLU A 31 14.757 24.790 -6.834 1.00 0.00 C ATOM 478 CG GLU A 31 13.494 24.058 -7.209 1.00 0.00 C ATOM 479 CD GLU A 31 12.879 23.320 -6.045 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.262 22.168 -5.793 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.000 23.897 -5.372 1.00 0.00 O ATOM 0 H GLU A 31 16.854 25.717 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 31 15.684 23.184 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.556 25.409 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.025 25.465 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.770 24.770 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.713 23.349 -8.008 1.00 0.00 H new ATOM 488 N LEU A 32 17.096 23.719 -8.641 1.00 0.00 N ATOM 489 CA LEU A 32 17.595 23.076 -9.837 1.00 0.00 C ATOM 490 C LEU A 32 18.488 21.893 -9.473 1.00 0.00 C ATOM 491 O LEU A 32 18.394 20.816 -10.071 1.00 0.00 O ATOM 492 CB LEU A 32 18.359 24.078 -10.700 1.00 0.00 C ATOM 493 CG LEU A 32 17.509 24.999 -11.587 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.047 24.976 -11.181 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.032 26.418 -11.553 1.00 0.00 C ATOM 0 H LEU A 32 17.383 24.693 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 32 16.746 22.703 -10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.967 24.701 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.046 23.524 -11.341 1.00 0.00 H new ATOM 0 HG LEU A 32 17.584 24.620 -12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.478 25.640 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.660 23.961 -11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.951 25.311 -10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.412 27.050 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.001 26.793 -10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.060 26.436 -11.915 1.00 0.00 H new ATOM 507 N LYS A 33 19.343 22.103 -8.478 1.00 0.00 N ATOM 508 CA LYS A 33 20.220 21.058 -7.978 1.00 0.00 C ATOM 509 C LYS A 33 19.391 19.921 -7.370 1.00 0.00 C ATOM 510 O LYS A 33 19.696 18.739 -7.559 1.00 0.00 O ATOM 511 CB LYS A 33 21.194 21.635 -6.942 1.00 0.00 C ATOM 512 CG LYS A 33 22.377 20.727 -6.617 1.00 0.00 C ATOM 513 CD LYS A 33 23.342 21.404 -5.647 1.00 0.00 C ATOM 514 CE LYS A 33 24.534 20.510 -5.323 1.00 0.00 C ATOM 515 NZ LYS A 33 25.380 20.257 -6.518 1.00 0.00 N ATOM 0 H LYS A 33 19.445 22.998 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 33 20.801 20.655 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.573 22.589 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.647 21.842 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.015 19.795 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.903 20.468 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.696 22.340 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.816 21.657 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.137 20.977 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.177 19.561 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.188 19.659 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.817 19.773 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.728 21.162 -6.895 1.00 0.00 H new ATOM 529 N LYS A 34 18.332 20.298 -6.648 1.00 0.00 N ATOM 530 CA LYS A 34 17.432 19.338 -6.009 1.00 0.00 C ATOM 531 C LYS A 34 16.743 18.448 -7.039 1.00 0.00 C ATOM 532 O LYS A 34 16.622 17.236 -6.837 1.00 0.00 O ATOM 533 CB LYS A 34 16.377 20.066 -5.161 1.00 0.00 C ATOM 534 CG LYS A 34 16.927 20.717 -3.890 1.00 0.00 C ATOM 535 CD LYS A 34 15.842 21.476 -3.138 1.00 0.00 C ATOM 536 CE LYS A 34 16.375 22.079 -1.842 1.00 0.00 C ATOM 537 NZ LYS A 34 15.344 22.882 -1.130 1.00 0.00 N ATOM 0 H LYS A 34 18.076 21.273 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 34 18.037 18.705 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.904 20.834 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.598 19.356 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.352 19.951 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.736 21.399 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.445 22.268 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.015 20.803 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.726 21.280 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.235 22.710 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.659 23.871 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.447 22.839 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.205 22.498 -0.173 1.00 0.00 H new ATOM 551 N ALA A 35 16.295 19.048 -8.144 1.00 0.00 N ATOM 552 CA ALA A 35 15.635 18.295 -9.206 1.00 0.00 C ATOM 553 C ALA A 35 16.580 17.265 -9.782 1.00 0.00 C ATOM 554 O ALA A 35 16.222 16.101 -9.938 1.00 0.00 O ATOM 555 CB ALA A 35 15.143 19.228 -10.307 1.00 0.00 C ATOM 0 H ALA A 35 16.378 20.049 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 35 14.773 17.785 -8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.655 18.644 -11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.433 19.941 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.990 19.766 -10.733 1.00 0.00 H new ATOM 561 N TYR A 36 17.802 17.695 -10.063 1.00 0.00 N ATOM 562 CA TYR A 36 18.815 16.815 -10.619 1.00 0.00 C ATOM 563 C TYR A 36 19.097 15.646 -9.708 1.00 0.00 C ATOM 564 O TYR A 36 19.121 14.508 -10.154 1.00 0.00 O ATOM 565 CB TYR A 36 20.104 17.578 -10.882 1.00 0.00 C ATOM 566 CG TYR A 36 21.265 16.691 -11.295 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.349 16.180 -12.578 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.280 16.374 -10.395 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.406 15.375 -12.962 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.340 15.569 -10.768 1.00 0.00 C ATOM 571 CZ TYR A 36 23.399 15.074 -12.052 1.00 0.00 C ATOM 572 OH TYR A 36 24.457 14.273 -12.430 1.00 0.00 O ATOM 0 H TYR A 36 18.115 18.654 -9.913 1.00 0.00 H new ATOM 0 HA TYR A 36 18.425 16.430 -11.561 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.926 18.316 -11.664 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.380 18.128 -9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.574 16.414 -13.293 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.238 16.764 -9.389 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.454 14.984 -13.968 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.117 15.330 -10.057 1.00 0.00 H new ATOM 0 HH TYR A 36 25.068 14.159 -11.672 1.00 0.00 H new ATOM 582 N ARG A 37 19.296 15.927 -8.431 1.00 0.00 N ATOM 583 CA ARG A 37 19.624 14.881 -7.475 1.00 0.00 C ATOM 584 C ARG A 37 18.504 13.849 -7.412 1.00 0.00 C ATOM 585 O ARG A 37 18.758 12.650 -7.385 1.00 0.00 O ATOM 586 CB ARG A 37 19.889 15.465 -6.085 1.00 0.00 C ATOM 587 CG ARG A 37 20.352 14.425 -5.073 1.00 0.00 C ATOM 588 CD ARG A 37 20.558 15.030 -3.696 1.00 0.00 C ATOM 589 NE ARG A 37 21.177 14.073 -2.770 1.00 0.00 N ATOM 590 CZ ARG A 37 20.900 13.993 -1.465 1.00 0.00 C ATOM 591 NH1 ARG A 37 19.940 14.751 -0.932 1.00 0.00 N ATOM 592 NH2 ARG A 37 21.561 13.128 -0.701 1.00 0.00 N ATOM 0 H ARG A 37 19.237 16.864 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 37 20.536 14.390 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.645 16.246 -6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.979 15.939 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.615 13.624 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.284 13.975 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.187 15.916 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.599 15.356 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 37 21.866 13.424 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.413 15.396 -1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.733 14.686 0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.277 12.528 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.352 13.064 0.295 1.00 0.00 H new ATOM 606 N LYS A 38 17.268 14.331 -7.415 1.00 0.00 N ATOM 607 CA LYS A 38 16.097 13.461 -7.363 1.00 0.00 C ATOM 608 C LYS A 38 16.054 12.516 -8.567 1.00 0.00 C ATOM 609 O LYS A 38 15.910 11.288 -8.414 1.00 0.00 O ATOM 610 CB LYS A 38 14.835 14.340 -7.332 1.00 0.00 C ATOM 611 CG LYS A 38 13.534 13.590 -7.526 1.00 0.00 C ATOM 612 CD LYS A 38 12.347 14.533 -7.453 1.00 0.00 C ATOM 613 CE LYS A 38 11.055 13.831 -7.826 1.00 0.00 C ATOM 614 NZ LYS A 38 11.034 13.447 -9.267 1.00 0.00 N ATOM 0 H LYS A 38 17.048 15.326 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 38 16.149 12.845 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.797 14.864 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.919 15.100 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.542 13.084 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.438 12.818 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.264 14.938 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.510 15.377 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.934 12.940 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.210 14.485 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.059 13.223 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.390 14.237 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.638 12.613 -9.413 1.00 0.00 H new ATOM 628 N LEU A 39 16.209 13.080 -9.748 1.00 0.00 N ATOM 629 CA LEU A 39 16.179 12.304 -10.974 1.00 0.00 C ATOM 630 C LEU A 39 17.348 11.359 -11.025 1.00 0.00 C ATOM 631 O LEU A 39 17.208 10.201 -11.401 1.00 0.00 O ATOM 632 CB LEU A 39 16.239 13.224 -12.162 1.00 0.00 C ATOM 633 CG LEU A 39 15.241 14.355 -12.149 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.425 15.250 -13.352 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.814 13.831 -12.077 1.00 0.00 C ATOM 0 H LEU A 39 16.358 14.080 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 39 15.252 11.731 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.242 13.646 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.085 12.635 -13.066 1.00 0.00 H new ATOM 0 HG LEU A 39 15.423 14.948 -11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.694 16.058 -13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.431 15.670 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.283 14.669 -14.263 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.118 14.670 -12.069 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.613 13.201 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.687 13.246 -11.166 1.00 0.00 H new ATOM 647 N ALA A 40 18.495 11.865 -10.624 1.00 0.00 N ATOM 648 CA ALA A 40 19.738 11.102 -10.639 1.00 0.00 C ATOM 649 C ALA A 40 19.659 9.866 -9.775 1.00 0.00 C ATOM 650 O ALA A 40 20.178 8.822 -10.134 1.00 0.00 O ATOM 651 CB ALA A 40 20.915 11.969 -10.216 1.00 0.00 C ATOM 0 H ALA A 40 18.598 12.818 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 40 19.895 10.774 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.829 11.376 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.013 12.810 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.747 12.343 -9.206 1.00 0.00 H new ATOM 657 N LEU A 41 19.022 9.990 -8.635 1.00 0.00 N ATOM 658 CA LEU A 41 18.878 8.884 -7.728 1.00 0.00 C ATOM 659 C LEU A 41 18.041 7.764 -8.349 1.00 0.00 C ATOM 660 O LEU A 41 18.392 6.579 -8.252 1.00 0.00 O ATOM 661 CB LEU A 41 18.226 9.362 -6.435 1.00 0.00 C ATOM 662 CG LEU A 41 19.049 10.331 -5.584 1.00 0.00 C ATOM 663 CD1 LEU A 41 18.239 10.827 -4.403 1.00 0.00 C ATOM 664 CD2 LEU A 41 20.342 9.683 -5.112 1.00 0.00 C ATOM 0 H LEU A 41 18.592 10.857 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 41 19.870 8.486 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.281 9.843 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.988 8.489 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 41 19.309 11.187 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.843 11.515 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.349 11.343 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.942 9.980 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.907 10.394 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.110 8.803 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.937 9.387 -5.976 1.00 0.00 H new ATOM 676 N LYS A 42 16.940 8.139 -8.990 1.00 0.00 N ATOM 677 CA LYS A 42 16.033 7.173 -9.560 1.00 0.00 C ATOM 678 C LYS A 42 16.483 6.638 -10.931 1.00 0.00 C ATOM 679 O LYS A 42 16.509 5.428 -11.156 1.00 0.00 O ATOM 680 CB LYS A 42 14.659 7.776 -9.655 1.00 0.00 C ATOM 681 CG LYS A 42 14.078 8.145 -8.302 1.00 0.00 C ATOM 682 CD LYS A 42 13.934 6.931 -7.389 1.00 0.00 C ATOM 683 CE LYS A 42 13.356 7.324 -6.034 1.00 0.00 C ATOM 684 NZ LYS A 42 13.221 6.157 -5.123 1.00 0.00 N ATOM 0 H LYS A 42 16.661 9.111 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 42 16.024 6.311 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.702 8.667 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.992 7.070 -10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.719 8.885 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.103 8.611 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.288 6.192 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.907 6.461 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.998 8.073 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.379 7.786 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.824 6.470 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.588 5.453 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.156 5.731 -4.964 1.00 0.00 H new ATOM 698 N TYR A 43 16.858 7.543 -11.821 1.00 0.00 N ATOM 699 CA TYR A 43 17.212 7.184 -13.211 1.00 0.00 C ATOM 700 C TYR A 43 18.726 7.088 -13.387 1.00 0.00 C ATOM 701 O TYR A 43 19.234 7.243 -14.494 1.00 0.00 O ATOM 702 CB TYR A 43 16.645 8.227 -14.205 1.00 0.00 C ATOM 703 CG TYR A 43 15.158 8.494 -14.062 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.215 7.678 -14.674 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.702 9.580 -13.319 1.00 0.00 C ATOM 706 CE1 TYR A 43 12.859 7.939 -14.548 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.354 9.847 -13.191 1.00 0.00 C ATOM 708 CZ TYR A 43 12.438 9.025 -13.804 1.00 0.00 C ATOM 709 OH TYR A 43 11.087 9.294 -13.679 1.00 0.00 O ATOM 0 H TYR A 43 16.929 8.540 -11.617 1.00 0.00 H new ATOM 0 HA TYR A 43 16.771 6.209 -13.420 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.183 9.165 -14.073 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.843 7.886 -15.221 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.542 6.829 -15.256 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.418 10.226 -12.833 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.136 7.297 -15.029 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.021 10.696 -12.613 1.00 0.00 H new ATOM 0 HH TYR A 43 10.962 10.091 -13.123 1.00 0.00 H new ATOM 719 N HIS A 44 19.434 6.837 -12.288 1.00 0.00 N ATOM 720 CA HIS A 44 20.905 6.743 -12.296 1.00 0.00 C ATOM 721 C HIS A 44 21.400 5.817 -13.406 1.00 0.00 C ATOM 722 O HIS A 44 21.075 4.634 -13.411 1.00 0.00 O ATOM 723 CB HIS A 44 21.414 6.224 -10.952 1.00 0.00 C ATOM 724 CG HIS A 44 22.741 6.788 -10.556 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.879 6.659 -11.325 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.110 7.494 -9.462 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.888 7.259 -10.717 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.449 7.774 -9.588 1.00 0.00 N ATOM 0 H HIS A 44 19.015 6.693 -11.369 1.00 0.00 H new ATOM 0 HA HIS A 44 21.293 7.746 -12.476 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.683 6.462 -10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.489 5.137 -10.996 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.470 7.784 -8.642 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.902 7.317 -11.085 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.011 8.296 -8.916 1.00 0.00 H new ATOM 736 N PRO A 45 22.204 6.340 -14.357 1.00 0.00 N ATOM 737 CA PRO A 45 22.730 5.544 -15.474 1.00 0.00 C ATOM 738 C PRO A 45 23.638 4.418 -15.001 1.00 0.00 C ATOM 739 O PRO A 45 23.741 3.376 -15.642 1.00 0.00 O ATOM 740 CB PRO A 45 23.522 6.555 -16.298 1.00 0.00 C ATOM 741 CG PRO A 45 23.841 7.641 -15.349 1.00 0.00 C ATOM 742 CD PRO A 45 22.666 7.731 -14.422 1.00 0.00 C ATOM 0 HA PRO A 45 21.932 5.055 -16.033 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.428 6.109 -16.709 1.00 0.00 H new ATOM 0 HB3 PRO A 45 22.938 6.924 -17.141 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.757 7.424 -14.800 1.00 0.00 H new ATOM 0 HG3 PRO A 45 23.999 8.584 -15.872 1.00 0.00 H new ATOM 0 HD2 PRO A 45 22.952 8.110 -13.441 1.00 0.00 H new ATOM 0 HD3 PRO A 45 21.895 8.397 -14.808 1.00 0.00 H new ATOM 750 N ASP A 46 24.286 4.641 -13.863 1.00 0.00 N ATOM 751 CA ASP A 46 25.168 3.648 -13.248 1.00 0.00 C ATOM 752 C ASP A 46 24.355 2.477 -12.697 1.00 0.00 C ATOM 753 O ASP A 46 24.869 1.368 -12.521 1.00 0.00 O ATOM 754 CB ASP A 46 25.996 4.307 -12.130 1.00 0.00 C ATOM 755 CG ASP A 46 26.858 3.335 -11.350 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.955 2.983 -11.830 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.455 2.941 -10.230 1.00 0.00 O ATOM 0 H ASP A 46 24.217 5.513 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 46 25.847 3.260 -14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 46 26.635 5.073 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.320 4.812 -11.440 1.00 0.00 H new ATOM 762 N LYS A 47 23.077 2.730 -12.448 1.00 0.00 N ATOM 763 CA LYS A 47 22.187 1.717 -11.897 1.00 0.00 C ATOM 764 C LYS A 47 21.239 1.195 -12.980 1.00 0.00 C ATOM 765 O LYS A 47 20.828 0.036 -12.958 1.00 0.00 O ATOM 766 CB LYS A 47 21.382 2.303 -10.729 1.00 0.00 C ATOM 767 CG LYS A 47 20.569 1.277 -9.960 1.00 0.00 C ATOM 768 CD LYS A 47 19.867 1.910 -8.774 1.00 0.00 C ATOM 769 CE LYS A 47 19.079 0.877 -7.986 1.00 0.00 C ATOM 770 NZ LYS A 47 18.414 1.467 -6.800 1.00 0.00 N ATOM 0 H LYS A 47 22.632 3.632 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 47 22.789 0.885 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.068 2.797 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.709 3.069 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.832 0.823 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.223 0.476 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.602 2.384 -8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.196 2.695 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.328 0.423 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.748 0.078 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.888 0.727 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.131 1.877 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.755 2.211 -7.106 1.00 0.00 H new ATOM 784 N ASN A 48 20.903 2.060 -13.926 1.00 0.00 N ATOM 785 CA ASN A 48 20.043 1.704 -15.044 1.00 0.00 C ATOM 786 C ASN A 48 20.597 2.293 -16.323 1.00 0.00 C ATOM 787 O ASN A 48 20.331 3.449 -16.654 1.00 0.00 O ATOM 788 CB ASN A 48 18.605 2.194 -14.841 1.00 0.00 C ATOM 789 CG ASN A 48 17.972 1.707 -13.549 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.421 0.609 -13.486 1.00 0.00 O ATOM 791 ND2 ASN A 48 18.021 2.532 -12.519 1.00 0.00 N ATOM 0 H ASN A 48 21.220 3.030 -13.940 1.00 0.00 H new ATOM 0 HA ASN A 48 20.021 0.616 -15.108 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.597 3.284 -14.851 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.995 1.863 -15.682 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.593 2.267 -11.632 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.487 3.435 -12.610 1.00 0.00 H new ATOM 798 N PRO A 49 21.390 1.510 -17.047 1.00 0.00 N ATOM 799 CA PRO A 49 22.004 1.928 -18.284 1.00 0.00 C ATOM 800 C PRO A 49 20.977 2.307 -19.350 1.00 0.00 C ATOM 801 O PRO A 49 21.220 3.183 -20.179 1.00 0.00 O ATOM 802 CB PRO A 49 22.791 0.695 -18.716 1.00 0.00 C ATOM 803 CG PRO A 49 22.169 -0.413 -17.994 1.00 0.00 C ATOM 804 CD PRO A 49 21.749 0.152 -16.708 1.00 0.00 C ATOM 0 HA PRO A 49 22.615 2.821 -18.154 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.734 0.547 -19.794 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.847 0.790 -18.462 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.318 -0.813 -18.545 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.872 -1.234 -17.852 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.906 -0.394 -16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.552 0.119 -15.972 1.00 0.00 H new ATOM 812 N ASN A 50 19.818 1.660 -19.302 1.00 0.00 N ATOM 813 CA ASN A 50 18.749 1.922 -20.270 1.00 0.00 C ATOM 814 C ASN A 50 18.164 3.325 -20.068 1.00 0.00 C ATOM 815 O ASN A 50 17.739 3.979 -21.022 1.00 0.00 O ATOM 816 CB ASN A 50 17.635 0.860 -20.181 1.00 0.00 C ATOM 817 CG ASN A 50 16.585 1.021 -21.269 1.00 0.00 C ATOM 818 OD1 ASN A 50 16.897 1.406 -22.400 1.00 0.00 O ATOM 819 ND2 ASN A 50 15.344 0.737 -20.937 1.00 0.00 N ATOM 0 H ASN A 50 19.591 0.950 -18.606 1.00 0.00 H new ATOM 0 HA ASN A 50 19.188 1.867 -21.266 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.078 -0.133 -20.253 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.154 0.924 -19.205 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.597 0.832 -21.625 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.128 0.422 -19.991 1.00 0.00 H new ATOM 826 N GLU A 51 18.180 3.797 -18.825 1.00 0.00 N ATOM 827 CA GLU A 51 17.604 5.099 -18.495 1.00 0.00 C ATOM 828 C GLU A 51 18.643 6.211 -18.629 1.00 0.00 C ATOM 829 O GLU A 51 18.334 7.389 -18.434 1.00 0.00 O ATOM 830 CB GLU A 51 17.013 5.093 -17.082 1.00 0.00 C ATOM 831 CG GLU A 51 15.799 4.186 -16.938 1.00 0.00 C ATOM 832 CD GLU A 51 14.602 4.682 -17.720 1.00 0.00 C ATOM 833 OE1 GLU A 51 13.802 5.457 -17.159 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.461 4.311 -18.904 1.00 0.00 O ATOM 0 H GLU A 51 18.584 3.300 -18.031 1.00 0.00 H new ATOM 0 HA GLU A 51 16.801 5.294 -19.206 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.781 4.775 -16.377 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.732 6.110 -16.810 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.058 3.183 -17.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.532 4.108 -15.884 1.00 0.00 H new ATOM 841 N GLY A 52 19.870 5.835 -18.991 1.00 0.00 N ATOM 842 CA GLY A 52 20.936 6.807 -19.136 1.00 0.00 C ATOM 843 C GLY A 52 20.704 7.756 -20.292 1.00 0.00 C ATOM 844 O GLY A 52 21.184 8.885 -20.275 1.00 0.00 O ATOM 0 H GLY A 52 20.142 4.871 -19.186 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.029 7.380 -18.213 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.881 6.285 -19.283 1.00 0.00 H new ATOM 848 N GLU A 53 19.968 7.299 -21.307 1.00 0.00 N ATOM 849 CA GLU A 53 19.654 8.144 -22.452 1.00 0.00 C ATOM 850 C GLU A 53 18.812 9.333 -21.986 1.00 0.00 C ATOM 851 O GLU A 53 18.975 10.455 -22.460 1.00 0.00 O ATOM 852 CB GLU A 53 18.905 7.346 -23.528 1.00 0.00 C ATOM 853 CG GLU A 53 18.600 8.144 -24.787 1.00 0.00 C ATOM 854 CD GLU A 53 19.850 8.576 -25.540 1.00 0.00 C ATOM 855 OE1 GLU A 53 20.825 7.799 -25.586 1.00 0.00 O ATOM 856 OE2 GLU A 53 19.857 9.701 -26.094 1.00 0.00 O ATOM 0 H GLU A 53 19.583 6.356 -21.356 1.00 0.00 H new ATOM 0 HA GLU A 53 20.583 8.508 -22.891 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.499 6.473 -23.798 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.969 6.977 -23.108 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.975 7.543 -25.448 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.022 9.028 -24.518 1.00 0.00 H new ATOM 863 N LYS A 54 17.918 9.068 -21.041 1.00 0.00 N ATOM 864 CA LYS A 54 17.098 10.090 -20.441 1.00 0.00 C ATOM 865 C LYS A 54 17.974 11.032 -19.620 1.00 0.00 C ATOM 866 O LYS A 54 17.789 12.254 -19.608 1.00 0.00 O ATOM 867 CB LYS A 54 16.034 9.463 -19.556 1.00 0.00 C ATOM 868 CG LYS A 54 14.950 8.687 -20.305 1.00 0.00 C ATOM 869 CD LYS A 54 13.915 8.184 -19.337 1.00 0.00 C ATOM 870 CE LYS A 54 12.830 7.373 -20.026 1.00 0.00 C ATOM 871 NZ LYS A 54 13.359 6.091 -20.588 1.00 0.00 N ATOM 0 H LYS A 54 17.748 8.132 -20.674 1.00 0.00 H new ATOM 0 HA LYS A 54 16.602 10.655 -21.230 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.520 8.790 -18.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.558 10.250 -18.971 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.481 9.329 -21.050 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.396 7.849 -20.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.399 7.569 -18.578 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.461 9.030 -18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.033 7.155 -19.315 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.389 7.965 -20.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.580 5.410 -20.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.788 6.271 -21.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.077 5.700 -19.945 1.00 0.00 H new ATOM 885 N PHE A 55 18.948 10.434 -18.952 1.00 0.00 N ATOM 886 CA PHE A 55 19.863 11.147 -18.079 1.00 0.00 C ATOM 887 C PHE A 55 20.723 12.137 -18.857 1.00 0.00 C ATOM 888 O PHE A 55 21.203 13.124 -18.301 1.00 0.00 O ATOM 889 CB PHE A 55 20.748 10.151 -17.320 1.00 0.00 C ATOM 890 CG PHE A 55 21.535 10.761 -16.194 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.909 11.140 -15.017 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.903 10.943 -16.308 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.633 11.688 -13.978 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.631 11.493 -15.272 1.00 0.00 C ATOM 895 CZ PHE A 55 22.994 11.866 -14.106 1.00 0.00 C ATOM 0 H PHE A 55 19.126 9.431 -19.002 1.00 0.00 H new ATOM 0 HA PHE A 55 19.270 11.717 -17.364 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.120 9.355 -16.920 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.440 9.688 -18.023 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.843 11.005 -14.912 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.406 10.651 -17.218 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.134 11.977 -13.065 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.697 11.631 -15.374 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.561 12.297 -13.294 1.00 0.00 H new ATOM 905 N LYS A 56 20.916 11.870 -20.135 1.00 0.00 N ATOM 906 CA LYS A 56 21.676 12.764 -20.999 1.00 0.00 C ATOM 907 C LYS A 56 21.025 14.145 -21.001 1.00 0.00 C ATOM 908 O LYS A 56 21.700 15.170 -20.871 1.00 0.00 O ATOM 909 CB LYS A 56 21.708 12.193 -22.418 1.00 0.00 C ATOM 910 CG LYS A 56 22.480 13.032 -23.425 1.00 0.00 C ATOM 911 CD LYS A 56 22.456 12.390 -24.799 1.00 0.00 C ATOM 912 CE LYS A 56 23.231 13.209 -25.814 1.00 0.00 C ATOM 913 NZ LYS A 56 23.196 12.589 -27.161 1.00 0.00 N ATOM 0 H LYS A 56 20.556 11.038 -20.603 1.00 0.00 H new ATOM 0 HA LYS A 56 22.697 12.855 -20.629 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.147 11.196 -22.384 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.683 12.078 -22.772 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.048 14.031 -23.479 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.511 13.149 -23.092 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.880 11.388 -24.740 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.424 12.280 -25.132 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.814 14.215 -25.865 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.266 13.310 -25.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.736 13.177 -27.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.617 11.639 -27.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.210 12.516 -27.484 1.00 0.00 H new ATOM 927 N GLN A 57 19.709 14.149 -21.114 1.00 0.00 N ATOM 928 CA GLN A 57 18.912 15.344 -21.089 1.00 0.00 C ATOM 929 C GLN A 57 19.034 16.036 -19.745 1.00 0.00 C ATOM 930 O GLN A 57 19.181 17.262 -19.664 1.00 0.00 O ATOM 931 CB GLN A 57 17.484 14.935 -21.303 1.00 0.00 C ATOM 932 CG GLN A 57 17.217 14.345 -22.666 1.00 0.00 C ATOM 933 CD GLN A 57 15.780 13.897 -22.841 1.00 0.00 C ATOM 934 OE1 GLN A 57 14.872 14.413 -22.197 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.564 12.934 -23.723 1.00 0.00 N ATOM 0 H GLN A 57 19.160 13.297 -21.228 1.00 0.00 H new ATOM 0 HA GLN A 57 19.249 16.034 -21.862 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.207 14.206 -20.541 1.00 0.00 H new ATOM 0 HB3 GLN A 57 16.842 15.804 -21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.458 15.084 -23.430 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.880 13.494 -22.825 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.346 12.530 -24.239 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.616 12.596 -23.887 1.00 0.00 H new ATOM 944 N ILE A 58 18.985 15.237 -18.699 1.00 0.00 N ATOM 945 CA ILE A 58 19.075 15.734 -17.336 1.00 0.00 C ATOM 946 C ILE A 58 20.429 16.408 -17.087 1.00 0.00 C ATOM 947 O ILE A 58 20.500 17.484 -16.485 1.00 0.00 O ATOM 948 CB ILE A 58 18.862 14.582 -16.325 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.430 14.083 -16.391 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.191 15.022 -14.932 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.185 12.815 -15.604 1.00 0.00 C ATOM 0 H ILE A 58 18.882 14.225 -18.767 1.00 0.00 H new ATOM 0 HA ILE A 58 18.290 16.477 -17.196 1.00 0.00 H new ATOM 0 HB ILE A 58 19.535 13.767 -16.593 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.766 14.864 -16.019 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.164 13.909 -17.434 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.033 14.193 -14.242 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.233 15.338 -14.887 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.547 15.856 -14.652 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.139 12.523 -15.701 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.821 12.019 -15.990 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.417 12.988 -14.553 1.00 0.00 H new ATOM 963 N SER A 59 21.487 15.778 -17.572 1.00 0.00 N ATOM 964 CA SER A 59 22.837 16.280 -17.397 1.00 0.00 C ATOM 965 C SER A 59 22.998 17.687 -18.012 1.00 0.00 C ATOM 966 O SER A 59 23.619 18.560 -17.414 1.00 0.00 O ATOM 967 CB SER A 59 23.849 15.297 -18.015 1.00 0.00 C ATOM 968 OG SER A 59 25.187 15.722 -17.806 1.00 0.00 O ATOM 0 H SER A 59 21.432 14.905 -18.097 1.00 0.00 H new ATOM 0 HA SER A 59 23.033 16.365 -16.328 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.709 14.308 -17.579 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.659 15.204 -19.084 1.00 0.00 H new ATOM 0 HG SER A 59 25.803 15.075 -18.209 1.00 0.00 H new ATOM 974 N GLN A 60 22.429 17.895 -19.203 1.00 0.00 N ATOM 975 CA GLN A 60 22.510 19.171 -19.897 1.00 0.00 C ATOM 976 C GLN A 60 21.805 20.273 -19.111 1.00 0.00 C ATOM 977 O GLN A 60 22.350 21.379 -18.918 1.00 0.00 O ATOM 978 CB GLN A 60 21.862 19.025 -21.242 1.00 0.00 C ATOM 979 CG GLN A 60 22.528 18.004 -22.142 1.00 0.00 C ATOM 980 CD GLN A 60 21.810 17.836 -23.466 1.00 0.00 C ATOM 981 OE1 GLN A 60 20.598 18.009 -23.555 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.553 17.488 -24.496 1.00 0.00 N ATOM 0 H GLN A 60 21.902 17.182 -19.707 1.00 0.00 H new ATOM 0 HA GLN A 60 23.558 19.450 -20.002 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.818 18.744 -21.102 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.867 19.993 -21.743 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.559 18.307 -22.328 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.566 17.043 -21.629 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.557 17.354 -24.378 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.124 17.352 -25.411 1.00 0.00 H new ATOM 991 N ALA A 61 20.600 19.975 -18.659 1.00 0.00 N ATOM 992 CA ALA A 61 19.833 20.918 -17.858 1.00 0.00 C ATOM 993 C ALA A 61 20.603 21.283 -16.621 1.00 0.00 C ATOM 994 O ALA A 61 20.775 22.441 -16.331 1.00 0.00 O ATOM 995 CB ALA A 61 18.474 20.328 -17.490 1.00 0.00 C ATOM 0 H ALA A 61 20.129 19.087 -18.832 1.00 0.00 H new ATOM 0 HA ALA A 61 19.663 21.821 -18.445 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.915 21.047 -16.891 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.917 20.102 -18.399 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.618 19.413 -16.916 1.00 0.00 H new ATOM 1001 N TYR A 62 21.111 20.280 -15.927 1.00 0.00 N ATOM 1002 CA TYR A 62 21.886 20.502 -14.719 1.00 0.00 C ATOM 1003 C TYR A 62 23.122 21.342 -15.023 1.00 0.00 C ATOM 1004 O TYR A 62 23.491 22.209 -14.247 1.00 0.00 O ATOM 1005 CB TYR A 62 22.287 19.165 -14.091 1.00 0.00 C ATOM 1006 CG TYR A 62 23.116 19.290 -12.828 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.541 19.725 -11.638 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.464 18.950 -12.817 1.00 0.00 C ATOM 1009 CE1 TYR A 62 23.284 19.814 -10.476 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.214 19.042 -11.659 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.619 19.472 -10.491 1.00 0.00 C ATOM 1012 OH TYR A 62 25.358 19.552 -9.326 1.00 0.00 O ATOM 0 H TYR A 62 21.000 19.298 -16.181 1.00 0.00 H new ATOM 0 HA TYR A 62 21.268 21.048 -14.006 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.384 18.599 -13.864 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.849 18.587 -14.824 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.496 19.998 -11.622 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.933 18.608 -13.728 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.820 20.150 -9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.261 18.778 -11.669 1.00 0.00 H new ATOM 0 HH TYR A 62 26.281 19.276 -9.505 1.00 0.00 H new ATOM 1022 N GLU A 63 23.734 21.080 -16.169 1.00 0.00 N ATOM 1023 CA GLU A 63 24.946 21.769 -16.598 1.00 0.00 C ATOM 1024 C GLU A 63 24.818 23.291 -16.463 1.00 0.00 C ATOM 1025 O GLU A 63 25.656 23.939 -15.838 1.00 0.00 O ATOM 1026 CB GLU A 63 25.269 21.372 -18.038 1.00 0.00 C ATOM 1027 CG GLU A 63 26.551 21.955 -18.586 1.00 0.00 C ATOM 1028 CD GLU A 63 27.781 21.349 -17.962 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.235 20.293 -18.451 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.308 21.931 -17.000 1.00 0.00 O ATOM 0 H GLU A 63 23.403 20.379 -16.832 1.00 0.00 H new ATOM 0 HA GLU A 63 25.765 21.466 -15.946 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.327 20.285 -18.096 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.443 21.681 -18.679 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.583 21.801 -19.665 1.00 0.00 H new ATOM 0 HG3 GLU A 63 26.556 23.032 -18.417 1.00 0.00 H new ATOM 1037 N VAL A 64 23.803 23.850 -17.073 1.00 0.00 N ATOM 1038 CA VAL A 64 23.555 25.281 -16.996 1.00 0.00 C ATOM 1039 C VAL A 64 22.664 25.675 -15.792 1.00 0.00 C ATOM 1040 O VAL A 64 22.914 26.676 -15.140 1.00 0.00 O ATOM 1041 CB VAL A 64 22.973 25.792 -18.335 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.655 24.635 -19.245 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.763 26.651 -18.121 1.00 0.00 C ATOM 0 H VAL A 64 23.125 23.336 -17.635 1.00 0.00 H new ATOM 0 HA VAL A 64 24.513 25.771 -16.823 1.00 0.00 H new ATOM 0 HB VAL A 64 23.731 26.413 -18.812 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.246 25.011 -20.183 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.565 24.070 -19.447 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.923 23.985 -18.765 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.383 26.991 -19.084 1.00 0.00 H new ATOM 0 HG22 VAL A 64 20.993 26.073 -17.610 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.033 27.514 -17.513 1.00 0.00 H new ATOM 1053 N LEU A 65 21.652 24.869 -15.505 1.00 0.00 N ATOM 1054 CA LEU A 65 20.698 25.157 -14.423 1.00 0.00 C ATOM 1055 C LEU A 65 21.352 25.161 -13.041 1.00 0.00 C ATOM 1056 O LEU A 65 20.953 25.928 -12.171 1.00 0.00 O ATOM 1057 CB LEU A 65 19.478 24.211 -14.478 1.00 0.00 C ATOM 1058 CG LEU A 65 18.270 24.686 -15.348 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.699 25.136 -16.739 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.222 23.590 -15.466 1.00 0.00 C ATOM 0 H LEU A 65 21.462 24.001 -16.006 1.00 0.00 H new ATOM 0 HA LEU A 65 20.337 26.172 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.812 23.244 -14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.124 24.051 -13.460 1.00 0.00 H new ATOM 0 HG LEU A 65 17.839 25.546 -14.836 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.824 25.456 -17.304 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.399 25.967 -16.653 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.182 24.307 -17.257 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.391 23.945 -16.076 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.666 22.711 -15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.857 23.328 -14.473 1.00 0.00 H new ATOM 1072 N SER A 66 22.371 24.325 -12.837 1.00 0.00 N ATOM 1073 CA SER A 66 23.035 24.256 -11.536 1.00 0.00 C ATOM 1074 C SER A 66 23.851 25.524 -11.262 1.00 0.00 C ATOM 1075 O SER A 66 24.364 25.715 -10.152 1.00 0.00 O ATOM 1076 CB SER A 66 23.944 23.022 -11.450 1.00 0.00 C ATOM 1077 OG SER A 66 24.445 22.840 -10.136 1.00 0.00 O ATOM 0 H SER A 66 22.750 23.695 -13.544 1.00 0.00 H new ATOM 0 HA SER A 66 22.257 24.174 -10.777 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.387 22.136 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.775 23.131 -12.146 1.00 0.00 H new ATOM 0 HG SER A 66 24.378 21.894 -9.888 1.00 0.00 H new ATOM 1083 N ASP A 67 23.966 26.381 -12.265 1.00 0.00 N ATOM 1084 CA ASP A 67 24.717 27.612 -12.139 1.00 0.00 C ATOM 1085 C ASP A 67 23.853 28.789 -12.579 1.00 0.00 C ATOM 1086 O ASP A 67 23.473 28.887 -13.743 1.00 0.00 O ATOM 1087 CB ASP A 67 25.984 27.536 -12.986 1.00 0.00 C ATOM 1088 CG ASP A 67 26.848 28.763 -12.858 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.631 29.727 -13.600 1.00 0.00 O ATOM 1090 OD2 ASP A 67 27.771 28.754 -12.018 1.00 0.00 O ATOM 0 H ASP A 67 23.543 26.241 -13.182 1.00 0.00 H new ATOM 0 HA ASP A 67 25.003 27.756 -11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.560 26.659 -12.691 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.708 27.399 -14.032 1.00 0.00 H new ATOM 1095 N ALA A 68 23.532 29.676 -11.645 1.00 0.00 N ATOM 1096 CA ALA A 68 22.673 30.823 -11.931 1.00 0.00 C ATOM 1097 C ALA A 68 23.181 31.659 -13.101 1.00 0.00 C ATOM 1098 O ALA A 68 22.386 32.276 -13.817 1.00 0.00 O ATOM 1099 CB ALA A 68 22.512 31.689 -10.698 1.00 0.00 C ATOM 0 H ALA A 68 23.854 29.624 -10.679 1.00 0.00 H new ATOM 0 HA ALA A 68 21.701 30.424 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.869 32.538 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.062 31.102 -9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.489 32.051 -10.378 1.00 0.00 H new ATOM 1105 N LYS A 69 24.493 31.691 -13.296 1.00 0.00 N ATOM 1106 CA LYS A 69 25.066 32.473 -14.371 1.00 0.00 C ATOM 1107 C LYS A 69 24.780 31.833 -15.718 1.00 0.00 C ATOM 1108 O LYS A 69 24.322 32.503 -16.637 1.00 0.00 O ATOM 1109 CB LYS A 69 26.571 32.689 -14.168 1.00 0.00 C ATOM 1110 CG LYS A 69 27.215 33.568 -15.234 1.00 0.00 C ATOM 1111 CD LYS A 69 28.684 33.809 -14.947 1.00 0.00 C ATOM 1112 CE LYS A 69 29.310 34.704 -16.004 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.736 34.978 -15.721 1.00 0.00 N ATOM 0 H LYS A 69 25.172 31.187 -12.726 1.00 0.00 H new ATOM 0 HA LYS A 69 24.591 33.454 -14.357 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.735 33.141 -13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.070 31.720 -14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.107 33.095 -16.210 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.692 34.523 -15.283 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.795 34.269 -13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.212 32.856 -14.914 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.218 34.230 -16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.762 35.645 -16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.126 35.591 -16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.822 35.453 -14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.264 34.082 -15.699 1.00 0.00 H new ATOM 1127 N LYS A 70 25.017 30.528 -15.826 1.00 0.00 N ATOM 1128 CA LYS A 70 24.772 29.818 -17.057 1.00 0.00 C ATOM 1129 C LYS A 70 23.285 29.832 -17.375 1.00 0.00 C ATOM 1130 O LYS A 70 22.887 29.982 -18.530 1.00 0.00 O ATOM 1131 CB LYS A 70 25.298 28.401 -16.952 1.00 0.00 C ATOM 1132 CG LYS A 70 26.807 28.353 -16.714 1.00 0.00 C ATOM 1133 CD LYS A 70 27.323 26.938 -16.558 1.00 0.00 C ATOM 1134 CE LYS A 70 27.193 26.161 -17.851 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.820 24.825 -17.750 1.00 0.00 N ATOM 0 H LYS A 70 25.379 29.949 -15.069 1.00 0.00 H new ATOM 0 HA LYS A 70 25.299 30.314 -17.873 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.788 27.887 -16.137 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.060 27.860 -17.868 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.319 28.833 -17.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.049 28.926 -15.819 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.368 26.961 -16.248 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.768 26.431 -15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.139 26.050 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.659 26.722 -18.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.848 24.383 -18.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.789 24.923 -17.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.265 24.229 -17.104 1.00 0.00 H new ATOM 1149 N ARG A 71 22.472 29.675 -16.333 1.00 0.00 N ATOM 1150 CA ARG A 71 21.022 29.745 -16.462 1.00 0.00 C ATOM 1151 C ARG A 71 20.605 31.089 -17.038 1.00 0.00 C ATOM 1152 O ARG A 71 19.762 31.165 -17.929 1.00 0.00 O ATOM 1153 CB ARG A 71 20.351 29.550 -15.093 1.00 0.00 C ATOM 1154 CG ARG A 71 18.832 29.584 -15.152 1.00 0.00 C ATOM 1155 CD ARG A 71 18.200 29.412 -13.782 1.00 0.00 C ATOM 1156 NE ARG A 71 16.737 29.356 -13.875 1.00 0.00 N ATOM 1157 CZ ARG A 71 15.896 30.255 -13.344 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.355 31.250 -12.588 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.588 30.148 -13.560 1.00 0.00 N ATOM 0 H ARG A 71 22.798 29.497 -15.383 1.00 0.00 H new ATOM 0 HA ARG A 71 20.703 28.950 -17.136 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.669 28.595 -14.674 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.698 30.328 -14.413 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.508 30.531 -15.583 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.478 28.794 -15.815 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.573 28.498 -13.319 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.494 30.239 -13.136 1.00 0.00 H new ATOM 0 HE ARG A 71 16.328 28.572 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.355 31.334 -12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.706 31.928 -12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.226 29.383 -14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.947 30.831 -13.157 1.00 0.00 H new ATOM 1173 N GLU A 72 21.239 32.132 -16.549 1.00 0.00 N ATOM 1174 CA GLU A 72 20.912 33.475 -16.910 1.00 0.00 C ATOM 1175 C GLU A 72 21.249 33.726 -18.362 1.00 0.00 C ATOM 1176 O GLU A 72 20.486 34.366 -19.091 1.00 0.00 O ATOM 1177 CB GLU A 72 21.679 34.422 -16.003 1.00 0.00 C ATOM 1178 CG GLU A 72 21.340 35.868 -16.197 1.00 0.00 C ATOM 1179 CD GLU A 72 22.081 36.762 -15.231 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.685 36.820 -14.048 1.00 0.00 O ATOM 1181 OE2 GLU A 72 23.067 37.405 -15.638 1.00 0.00 O ATOM 0 H GLU A 72 22.006 32.059 -15.880 1.00 0.00 H new ATOM 0 HA GLU A 72 19.842 33.643 -16.786 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.484 34.151 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.747 34.285 -16.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.580 36.162 -17.219 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.267 36.008 -16.069 1.00 0.00 H new ATOM 1188 N LEU A 73 22.387 33.209 -18.784 1.00 0.00 N ATOM 1189 CA LEU A 73 22.824 33.356 -20.137 1.00 0.00 C ATOM 1190 C LEU A 73 21.893 32.602 -21.071 1.00 0.00 C ATOM 1191 O LEU A 73 21.572 33.072 -22.156 1.00 0.00 O ATOM 1192 CB LEU A 73 24.248 32.838 -20.283 1.00 0.00 C ATOM 1193 CG LEU A 73 25.260 33.369 -19.262 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.667 32.958 -19.629 1.00 0.00 C ATOM 1195 CD2 LEU A 73 25.144 34.877 -19.090 1.00 0.00 C ATOM 0 H LEU A 73 23.025 32.678 -18.191 1.00 0.00 H new ATOM 0 HA LEU A 73 22.805 34.413 -20.402 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.228 31.750 -20.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.604 33.087 -21.283 1.00 0.00 H new ATOM 0 HG LEU A 73 25.024 32.918 -18.298 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.365 33.348 -18.888 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.734 31.870 -19.653 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.919 33.359 -20.611 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.877 35.217 -18.359 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.330 35.368 -20.045 1.00 0.00 H new ATOM 0 HD23 LEU A 73 24.142 35.128 -18.743 1.00 0.00 H new ATOM 1207 N TYR A 74 21.469 31.421 -20.638 1.00 0.00 N ATOM 1208 CA TYR A 74 20.573 30.584 -21.425 1.00 0.00 C ATOM 1209 C TYR A 74 19.241 31.271 -21.662 1.00 0.00 C ATOM 1210 O TYR A 74 18.735 31.299 -22.778 1.00 0.00 O ATOM 1211 CB TYR A 74 20.350 29.244 -20.736 1.00 0.00 C ATOM 1212 CG TYR A 74 19.473 28.300 -21.537 1.00 0.00 C ATOM 1213 CD1 TYR A 74 19.960 27.682 -22.684 1.00 0.00 C ATOM 1214 CD2 TYR A 74 18.161 28.040 -21.156 1.00 0.00 C ATOM 1215 CE1 TYR A 74 19.164 26.837 -23.431 1.00 0.00 C ATOM 1216 CE2 TYR A 74 17.359 27.190 -21.898 1.00 0.00 C ATOM 1217 CZ TYR A 74 17.868 26.593 -23.035 1.00 0.00 C ATOM 1218 OH TYR A 74 17.071 25.751 -23.788 1.00 0.00 O ATOM 0 H TYR A 74 21.734 31.019 -19.739 1.00 0.00 H new ATOM 0 HA TYR A 74 21.046 30.413 -22.392 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.315 28.770 -20.557 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.893 29.415 -19.761 1.00 0.00 H new ATOM 0 HD1 TYR A 74 20.978 27.866 -22.995 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.762 28.508 -20.268 1.00 0.00 H new ATOM 0 HE1 TYR A 74 19.556 26.369 -24.322 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.342 26.995 -21.590 1.00 0.00 H new ATOM 0 HH TYR A 74 17.129 24.840 -23.431 1.00 0.00 H new ATOM 1228 N ASP A 75 18.681 31.812 -20.604 1.00 0.00 N ATOM 1229 CA ASP A 75 17.400 32.515 -20.687 1.00 0.00 C ATOM 1230 C ASP A 75 17.499 33.742 -21.593 1.00 0.00 C ATOM 1231 O ASP A 75 16.555 34.074 -22.308 1.00 0.00 O ATOM 1232 CB ASP A 75 16.895 32.937 -19.295 1.00 0.00 C ATOM 1233 CG ASP A 75 16.391 31.775 -18.441 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.601 30.943 -18.953 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.751 31.717 -17.242 1.00 0.00 O ATOM 0 H ASP A 75 19.086 31.784 -19.668 1.00 0.00 H new ATOM 0 HA ASP A 75 16.683 31.816 -21.118 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.702 33.442 -18.764 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.090 33.662 -19.416 1.00 0.00 H new ATOM 1240 N LYS A 76 18.651 34.395 -21.576 1.00 0.00 N ATOM 1241 CA LYS A 76 18.853 35.613 -22.363 1.00 0.00 C ATOM 1242 C LYS A 76 19.303 35.273 -23.799 1.00 0.00 C ATOM 1243 O LYS A 76 19.242 36.114 -24.697 1.00 0.00 O ATOM 1244 CB LYS A 76 19.902 36.511 -21.675 1.00 0.00 C ATOM 1245 CG LYS A 76 20.069 37.890 -22.300 1.00 0.00 C ATOM 1246 CD LYS A 76 21.062 38.732 -21.509 1.00 0.00 C ATOM 1247 CE LYS A 76 21.219 40.128 -22.100 1.00 0.00 C ATOM 1248 NZ LYS A 76 21.846 40.101 -23.440 1.00 0.00 N ATOM 0 H LYS A 76 19.462 34.107 -21.029 1.00 0.00 H new ATOM 0 HA LYS A 76 17.905 36.148 -22.423 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.625 36.633 -20.628 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.865 36.000 -21.693 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.413 37.787 -23.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.104 38.396 -22.335 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.728 38.811 -20.474 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.031 38.233 -21.494 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.241 40.604 -22.168 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.824 40.738 -21.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.026 41.074 -23.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.745 39.581 -23.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.208 39.629 -24.112 1.00 0.00 H new ATOM 1262 N GLY A 77 19.723 34.039 -24.004 1.00 0.00 N ATOM 1263 CA GLY A 77 20.208 33.622 -25.302 1.00 0.00 C ATOM 1264 C GLY A 77 19.150 32.901 -26.096 1.00 0.00 C ATOM 1265 O GLY A 77 18.228 32.334 -25.489 1.00 0.00 O ATOM 1266 OXT GLY A 77 19.244 32.882 -27.335 1.00 0.00 O ATOM 0 H GLY A 77 19.737 33.311 -23.290 1.00 0.00 H new ATOM 0 HA2 GLY A 77 20.547 34.495 -25.860 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.072 32.970 -25.174 1.00 0.00 H new