USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 68 HIS :FLIP no HD1:sc= -0.361 F(o=-3,f=-1.3) USER MOD Set 1.2: A 102 MET CE :methyl -170:sc= -0.966 (180deg=-1.23) USER MOD Set 2.1: A 82 SER OG : rot -80:sc= 1.99 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 155:sc= 1.11 (180deg=-0.488) USER MOD Set 3.1: A 69 LYS NZ :NH3+ -151:sc= -0.0709 (180deg=-0.43) USER MOD Set 3.2: A 70 ASN : amide:sc= -0.0748 X(o=-0.15,f=-0.56) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.0342 USER MOD Single : A 23 SER OG : rot 170:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.156) USER MOD Single : A 49 HIS : no HD1:sc= -2 K(o=-2,f=-4.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.746 K(o=0.75,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 92:sc= 1.31 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -129:sc= 1.32 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.2) USER MOD Single : A 91 ASN : amide:sc= 3.03 K(o=3,f=-8.8!) USER MOD Single : A 95 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 97 GLN : amide:sc= 0.654 K(o=0.65,f=-2.7!) USER MOD Single : A 107 SER OG : rot 98:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -6.146 5.363 -7.246 1.00 0.00 N ATOM 180 CA TYR A 16 -5.341 4.809 -8.339 1.00 0.00 C ATOM 181 C TYR A 16 -4.036 4.188 -7.831 1.00 0.00 C ATOM 182 O TYR A 16 -3.875 2.970 -7.908 1.00 0.00 O ATOM 183 CB TYR A 16 -5.114 5.845 -9.461 1.00 0.00 C ATOM 184 CG TYR A 16 -4.539 7.195 -9.059 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.386 8.190 -8.533 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.171 7.488 -9.254 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.873 9.444 -8.167 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.651 8.743 -8.881 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.502 9.720 -8.319 1.00 0.00 C ATOM 190 OH TYR A 16 -3.030 10.949 -7.969 1.00 0.00 O ATOM 0 HA TYR A 16 -5.911 3.993 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.447 5.401 -10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.069 6.019 -9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.439 7.986 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.520 6.746 -9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.533 10.200 -7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.602 8.958 -9.025 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.577 11.315 -7.243 1.00 0.00 H new ATOM 200 N ILE A 17 -3.140 4.998 -7.264 1.00 0.00 N ATOM 201 CA ILE A 17 -1.744 4.674 -6.967 1.00 0.00 C ATOM 202 C ILE A 17 -0.964 4.403 -8.273 1.00 0.00 C ATOM 203 O ILE A 17 -1.142 3.366 -8.920 1.00 0.00 O ATOM 204 CB ILE A 17 -1.579 3.586 -5.876 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.506 3.763 -4.649 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.125 3.590 -5.376 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.528 5.181 -4.090 1.00 0.00 C ATOM 0 H ILE A 17 -3.382 5.949 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.287 5.550 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.855 2.645 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.520 3.477 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.187 3.078 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.002 2.826 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.547 3.379 -6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.113 4.568 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.200 5.224 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.523 5.465 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.877 5.870 -4.859 1.00 0.00 H new ATOM 219 N PRO A 18 -0.140 5.369 -8.718 1.00 0.00 N ATOM 220 CA PRO A 18 0.529 5.331 -10.007 1.00 0.00 C ATOM 221 C PRO A 18 1.799 4.484 -9.916 1.00 0.00 C ATOM 222 O PRO A 18 2.849 4.965 -9.482 1.00 0.00 O ATOM 223 CB PRO A 18 0.817 6.800 -10.329 1.00 0.00 C ATOM 224 CG PRO A 18 1.082 7.411 -8.952 1.00 0.00 C ATOM 225 CD PRO A 18 0.178 6.614 -8.029 1.00 0.00 C ATOM 0 HA PRO A 18 -0.067 4.870 -10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.677 6.907 -10.990 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.028 7.277 -10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.130 7.317 -8.666 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.840 8.474 -8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.675 6.414 -7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.730 7.172 -7.802 1.00 0.00 H new ATOM 233 N LEU A 19 1.703 3.211 -10.303 1.00 0.00 N ATOM 234 CA LEU A 19 2.809 2.262 -10.224 1.00 0.00 C ATOM 235 C LEU A 19 4.032 2.728 -11.006 1.00 0.00 C ATOM 236 O LEU A 19 5.148 2.423 -10.589 1.00 0.00 O ATOM 237 CB LEU A 19 2.367 0.866 -10.702 1.00 0.00 C ATOM 238 CG LEU A 19 1.381 0.175 -9.748 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.880 -1.159 -10.313 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.059 -0.075 -8.405 1.00 0.00 C ATOM 0 H LEU A 19 0.846 2.808 -10.683 1.00 0.00 H new ATOM 0 HA LEU A 19 3.099 2.203 -9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.906 0.957 -11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.248 0.235 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 19 0.523 0.835 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.185 -1.615 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.372 -0.985 -11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.726 -1.827 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.358 -0.565 -7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.930 -0.714 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.374 0.875 -7.974 1.00 0.00 H new ATOM 252 N ASP A 20 3.862 3.492 -12.086 1.00 0.00 N ATOM 253 CA ASP A 20 4.978 4.035 -12.860 1.00 0.00 C ATOM 254 C ASP A 20 5.864 4.912 -11.982 1.00 0.00 C ATOM 255 O ASP A 20 7.087 4.784 -11.985 1.00 0.00 O ATOM 256 CB ASP A 20 4.467 4.853 -14.044 1.00 0.00 C ATOM 257 CG ASP A 20 5.649 5.333 -14.882 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.080 4.551 -15.761 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.100 6.487 -14.682 1.00 0.00 O ATOM 0 H ASP A 20 2.945 3.752 -12.449 1.00 0.00 H new ATOM 0 HA ASP A 20 5.564 3.196 -13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.797 4.248 -14.655 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.890 5.707 -13.688 1.00 0.00 H new ATOM 264 N ARG A 21 5.242 5.778 -11.180 1.00 0.00 N ATOM 265 CA ARG A 21 5.917 6.710 -10.295 1.00 0.00 C ATOM 266 C ARG A 21 6.582 6.034 -9.095 1.00 0.00 C ATOM 267 O ARG A 21 7.272 6.732 -8.343 1.00 0.00 O ATOM 268 CB ARG A 21 4.870 7.747 -9.850 1.00 0.00 C ATOM 269 CG ARG A 21 5.221 9.182 -10.261 1.00 0.00 C ATOM 270 CD ARG A 21 5.609 9.994 -9.022 1.00 0.00 C ATOM 271 NE ARG A 21 6.038 11.369 -9.313 1.00 0.00 N ATOM 272 CZ ARG A 21 5.280 12.394 -9.727 1.00 0.00 C ATOM 273 NH1 ARG A 21 3.989 12.240 -10.009 1.00 0.00 N ATOM 274 NH2 ARG A 21 5.812 13.602 -9.843 1.00 0.00 N ATOM 0 H ARG A 21 4.225 5.847 -11.132 1.00 0.00 H new ATOM 0 HA ARG A 21 6.739 7.185 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.903 7.481 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.764 7.703 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.044 9.175 -10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.370 9.646 -10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.758 10.027 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.414 9.477 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 21 7.030 11.567 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.552 11.324 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.437 13.038 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.796 13.750 -9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.238 14.384 -10.158 1.00 0.00 H new ATOM 288 N LEU A 22 6.372 4.736 -8.858 1.00 0.00 N ATOM 289 CA LEU A 22 6.979 4.017 -7.737 1.00 0.00 C ATOM 290 C LEU A 22 8.119 3.134 -8.258 1.00 0.00 C ATOM 291 O LEU A 22 8.411 3.104 -9.451 1.00 0.00 O ATOM 292 CB LEU A 22 5.953 3.197 -6.925 1.00 0.00 C ATOM 293 CG LEU A 22 4.553 3.788 -6.686 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.751 2.876 -5.751 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.550 5.199 -6.091 1.00 0.00 C ATOM 0 H LEU A 22 5.773 4.153 -9.442 1.00 0.00 H new ATOM 0 HA LEU A 22 7.381 4.755 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.825 2.238 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.394 2.989 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 22 4.101 3.856 -7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.761 3.302 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.651 1.889 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.270 2.787 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.522 5.535 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.057 5.188 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.069 5.880 -6.766 1.00 0.00 H new ATOM 307 N SER A 23 8.750 2.394 -7.354 1.00 0.00 N ATOM 308 CA SER A 23 9.908 1.544 -7.578 1.00 0.00 C ATOM 309 C SER A 23 9.547 0.154 -7.045 1.00 0.00 C ATOM 310 O SER A 23 9.793 -0.151 -5.878 1.00 0.00 O ATOM 311 CB SER A 23 11.110 2.194 -6.862 1.00 0.00 C ATOM 312 OG SER A 23 12.329 1.660 -7.327 1.00 0.00 O ATOM 0 H SER A 23 8.444 2.372 -6.381 1.00 0.00 H new ATOM 0 HA SER A 23 10.183 1.437 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.096 3.271 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.026 2.034 -5.787 1.00 0.00 H new ATOM 0 HG SER A 23 13.074 2.195 -6.981 1.00 0.00 H new ATOM 318 N ILE A 24 8.875 -0.660 -7.863 1.00 0.00 N ATOM 319 CA ILE A 24 8.330 -1.966 -7.489 1.00 0.00 C ATOM 320 C ILE A 24 9.454 -2.980 -7.629 1.00 0.00 C ATOM 321 O ILE A 24 10.171 -2.940 -8.624 1.00 0.00 O ATOM 322 CB ILE A 24 7.133 -2.348 -8.404 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.917 -1.423 -8.219 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.687 -3.799 -8.161 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.026 -0.121 -8.998 1.00 0.00 C ATOM 0 H ILE A 24 8.689 -0.419 -8.837 1.00 0.00 H new ATOM 0 HA ILE A 24 7.957 -1.944 -6.465 1.00 0.00 H new ATOM 0 HB ILE A 24 7.498 -2.234 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.017 -1.951 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.800 -1.195 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.848 -4.036 -8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.516 -4.475 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.380 -3.916 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.136 0.483 -8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.908 0.428 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.112 -0.340 -10.062 1.00 0.00 H new ATOM 337 N SER A 25 9.561 -3.927 -6.704 1.00 0.00 N ATOM 338 CA SER A 25 10.501 -5.036 -6.836 1.00 0.00 C ATOM 339 C SER A 25 9.964 -6.279 -6.119 1.00 0.00 C ATOM 340 O SER A 25 9.807 -6.275 -4.899 1.00 0.00 O ATOM 341 CB SER A 25 11.875 -4.581 -6.317 1.00 0.00 C ATOM 342 OG SER A 25 12.862 -5.566 -6.548 1.00 0.00 O ATOM 0 H SER A 25 9.005 -3.949 -5.849 1.00 0.00 H new ATOM 0 HA SER A 25 10.619 -5.321 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.163 -3.652 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.811 -4.370 -5.250 1.00 0.00 H new ATOM 0 HG SER A 25 13.726 -5.249 -6.210 1.00 0.00 H new ATOM 348 N TYR A 26 9.694 -7.369 -6.836 1.00 0.00 N ATOM 349 CA TYR A 26 9.324 -8.651 -6.223 1.00 0.00 C ATOM 350 C TYR A 26 10.566 -9.341 -5.670 1.00 0.00 C ATOM 351 O TYR A 26 11.685 -8.986 -6.047 1.00 0.00 O ATOM 352 CB TYR A 26 8.590 -9.562 -7.220 1.00 0.00 C ATOM 353 CG TYR A 26 7.527 -8.838 -8.015 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.677 -7.910 -7.384 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.499 -8.977 -9.412 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.900 -7.039 -8.150 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.715 -8.111 -10.189 1.00 0.00 C ATOM 358 CZ TYR A 26 5.944 -7.108 -9.562 1.00 0.00 C ATOM 359 OH TYR A 26 5.312 -6.179 -10.327 1.00 0.00 O ATOM 0 H TYR A 26 9.724 -7.392 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 26 8.636 -8.450 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.316 -9.997 -7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.130 -10.388 -6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.626 -7.872 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.082 -9.751 -9.889 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.265 -6.313 -7.664 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.701 -8.211 -11.264 1.00 0.00 H new ATOM 0 HH TYR A 26 5.452 -6.386 -11.275 1.00 0.00 H new ATOM 369 N CYS A 27 10.417 -10.326 -4.781 1.00 0.00 N ATOM 370 CA CYS A 27 11.558 -11.059 -4.238 1.00 0.00 C ATOM 371 C CYS A 27 11.210 -12.530 -4.006 1.00 0.00 C ATOM 372 O CYS A 27 10.042 -12.936 -4.041 1.00 0.00 O ATOM 373 CB CYS A 27 12.035 -10.390 -2.935 1.00 0.00 C ATOM 374 SG CYS A 27 13.831 -10.553 -2.737 1.00 0.00 S ATOM 0 H CYS A 27 9.513 -10.633 -4.422 1.00 0.00 H new ATOM 0 HA CYS A 27 12.370 -11.029 -4.965 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.761 -9.335 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.529 -10.844 -2.083 1.00 0.00 H new ATOM 0 HG CYS A 27 14.200 -9.977 -1.631 1.00 0.00 H new ATOM 585 N LYS A 43 7.280 -12.185 -2.850 1.00 0.00 N ATOM 586 CA LYS A 43 7.194 -10.969 -2.065 1.00 0.00 C ATOM 587 C LYS A 43 6.921 -9.856 -3.061 1.00 0.00 C ATOM 588 O LYS A 43 7.343 -9.974 -4.211 1.00 0.00 O ATOM 589 CB LYS A 43 8.528 -10.759 -1.335 1.00 0.00 C ATOM 590 CG LYS A 43 8.546 -9.576 -0.356 1.00 0.00 C ATOM 591 CD LYS A 43 9.823 -8.748 -0.543 1.00 0.00 C ATOM 592 CE LYS A 43 9.986 -7.822 0.647 1.00 0.00 C ATOM 593 NZ LYS A 43 11.393 -7.522 1.002 1.00 0.00 N ATOM 0 HA LYS A 43 6.410 -11.002 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.774 -11.669 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.313 -10.611 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.670 -8.948 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.489 -9.943 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.689 -9.405 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.766 -8.170 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.470 -6.885 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.494 -8.270 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.426 -7.073 1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.942 -8.405 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.799 -6.877 0.295 1.00 0.00 H new ATOM 607 N ALA A 44 6.342 -8.752 -2.611 1.00 0.00 N ATOM 608 CA ALA A 44 6.380 -7.477 -3.301 1.00 0.00 C ATOM 609 C ALA A 44 7.007 -6.493 -2.318 1.00 0.00 C ATOM 610 O ALA A 44 6.646 -6.465 -1.140 1.00 0.00 O ATOM 611 CB ALA A 44 4.980 -7.057 -3.732 1.00 0.00 C ATOM 0 H ALA A 44 5.821 -8.721 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 44 6.966 -7.522 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.030 -6.098 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.565 -7.809 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.342 -6.963 -2.853 1.00 0.00 H new ATOM 617 N GLU A 45 7.963 -5.714 -2.800 1.00 0.00 N ATOM 618 CA GLU A 45 8.454 -4.488 -2.202 1.00 0.00 C ATOM 619 C GLU A 45 7.989 -3.387 -3.147 1.00 0.00 C ATOM 620 O GLU A 45 7.778 -3.631 -4.346 1.00 0.00 O ATOM 621 CB GLU A 45 9.988 -4.561 -2.127 1.00 0.00 C ATOM 622 CG GLU A 45 10.682 -3.371 -1.451 1.00 0.00 C ATOM 623 CD GLU A 45 12.110 -3.225 -1.974 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.854 -4.235 -1.955 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.451 -2.124 -2.446 1.00 0.00 O ATOM 0 H GLU A 45 8.444 -5.937 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 45 8.090 -4.313 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.264 -5.470 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.378 -4.657 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.121 -2.456 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.696 -3.515 -0.371 1.00 0.00 H new ATOM 632 N VAL A 46 7.769 -2.189 -2.630 1.00 0.00 N ATOM 633 CA VAL A 46 7.724 -1.004 -3.455 1.00 0.00 C ATOM 634 C VAL A 46 8.333 0.132 -2.646 1.00 0.00 C ATOM 635 O VAL A 46 8.133 0.209 -1.431 1.00 0.00 O ATOM 636 CB VAL A 46 6.296 -0.744 -3.975 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.250 -0.484 -2.884 1.00 0.00 C ATOM 638 CG2 VAL A 46 6.274 0.425 -4.955 1.00 0.00 C ATOM 0 H VAL A 46 7.619 -2.017 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 46 8.313 -1.117 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 46 6.017 -1.675 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.278 -0.312 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.190 -1.349 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.538 0.394 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.255 0.586 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.633 1.325 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.919 0.200 -5.804 1.00 0.00 H new ATOM 648 N ARG A 47 9.064 1.006 -3.333 1.00 0.00 N ATOM 649 CA ARG A 47 9.732 2.171 -2.787 1.00 0.00 C ATOM 650 C ARG A 47 9.286 3.386 -3.585 1.00 0.00 C ATOM 651 O ARG A 47 9.028 3.266 -4.779 1.00 0.00 O ATOM 652 CB ARG A 47 11.247 1.913 -2.837 1.00 0.00 C ATOM 653 CG ARG A 47 12.135 3.115 -2.535 1.00 0.00 C ATOM 654 CD ARG A 47 13.561 2.660 -2.183 1.00 0.00 C ATOM 655 NE ARG A 47 14.222 1.971 -3.307 1.00 0.00 N ATOM 656 CZ ARG A 47 14.705 2.512 -4.436 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.787 3.830 -4.598 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.094 1.720 -5.425 1.00 0.00 N ATOM 0 H ARG A 47 9.210 0.910 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 47 9.474 2.363 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.485 1.121 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.500 1.538 -3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.162 3.780 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.715 3.685 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.155 3.526 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.525 1.993 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 47 14.324 0.960 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.479 4.455 -3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.158 4.215 -5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.025 0.707 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.462 2.123 -6.287 1.00 0.00 H new ATOM 672 N PHE A 48 9.159 4.549 -2.961 1.00 0.00 N ATOM 673 CA PHE A 48 9.007 5.813 -3.659 1.00 0.00 C ATOM 674 C PHE A 48 9.638 6.924 -2.829 1.00 0.00 C ATOM 675 O PHE A 48 9.404 6.975 -1.623 1.00 0.00 O ATOM 676 CB PHE A 48 7.520 6.073 -3.974 1.00 0.00 C ATOM 677 CG PHE A 48 6.529 6.011 -2.815 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.867 4.807 -2.484 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.215 7.185 -2.104 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.877 4.790 -1.479 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.243 7.165 -1.087 1.00 0.00 C ATOM 682 CZ PHE A 48 4.554 5.975 -0.798 1.00 0.00 C ATOM 0 H PHE A 48 9.159 4.640 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 48 9.526 5.781 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.441 7.060 -4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.204 5.348 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.120 3.895 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.724 8.108 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.369 3.869 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.027 8.064 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.774 5.972 -0.051 1.00 0.00 H new ATOM 692 N HIS A 49 10.398 7.842 -3.438 1.00 0.00 N ATOM 693 CA HIS A 49 10.668 9.151 -2.842 1.00 0.00 C ATOM 694 C HIS A 49 9.338 9.849 -2.643 1.00 0.00 C ATOM 695 O HIS A 49 8.722 10.346 -3.587 1.00 0.00 O ATOM 696 CB HIS A 49 11.664 9.978 -3.674 1.00 0.00 C ATOM 697 CG HIS A 49 12.078 11.263 -2.989 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.267 12.488 -3.591 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.378 11.415 -1.659 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.656 13.357 -2.646 1.00 0.00 C ATOM 701 NE2 HIS A 49 12.722 12.752 -1.447 1.00 0.00 N ATOM 0 H HIS A 49 10.838 7.699 -4.347 1.00 0.00 H new ATOM 0 HA HIS A 49 11.159 9.029 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.551 9.376 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.216 10.215 -4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.353 10.638 -0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.884 14.398 -2.823 1.00 0.00 H new ATOM 0 HE2 HIS A 49 12.974 13.184 -0.558 1.00 0.00 H new ATOM 709 N LEU A 50 8.894 9.853 -1.391 1.00 0.00 N ATOM 710 CA LEU A 50 7.692 10.512 -0.939 1.00 0.00 C ATOM 711 C LEU A 50 7.731 11.980 -1.342 1.00 0.00 C ATOM 712 O LEU A 50 6.730 12.513 -1.808 1.00 0.00 O ATOM 713 CB LEU A 50 7.601 10.300 0.559 1.00 0.00 C ATOM 714 CG LEU A 50 6.550 11.238 1.169 1.00 0.00 C ATOM 715 CD1 LEU A 50 5.803 10.449 2.214 1.00 0.00 C ATOM 716 CD2 LEU A 50 7.233 12.487 1.725 1.00 0.00 C ATOM 0 H LEU A 50 9.389 9.375 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 50 6.795 10.099 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.339 9.263 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.572 10.484 1.018 1.00 0.00 H new ATOM 0 HG LEU A 50 5.835 11.595 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.044 11.082 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.324 9.588 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.500 10.106 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.483 13.150 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.949 12.198 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.755 13.005 0.920 1.00 0.00 H new ATOM 728 N ALA A 51 8.876 12.643 -1.174 1.00 0.00 N ATOM 729 CA ALA A 51 8.955 14.075 -1.398 1.00 0.00 C ATOM 730 C ALA A 51 9.065 14.416 -2.889 1.00 0.00 C ATOM 731 O ALA A 51 9.295 15.572 -3.225 1.00 0.00 O ATOM 732 CB ALA A 51 10.061 14.677 -0.533 1.00 0.00 C ATOM 0 H ALA A 51 9.753 12.209 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 51 8.022 14.541 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.114 15.752 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.843 14.490 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.016 14.220 -0.793 1.00 0.00 H new ATOM 738 N SER A 52 8.907 13.439 -3.789 1.00 0.00 N ATOM 739 CA SER A 52 8.610 13.639 -5.208 1.00 0.00 C ATOM 740 C SER A 52 7.278 12.959 -5.581 1.00 0.00 C ATOM 741 O SER A 52 6.877 12.974 -6.746 1.00 0.00 O ATOM 742 CB SER A 52 9.784 13.136 -6.064 1.00 0.00 C ATOM 743 OG SER A 52 9.988 13.935 -7.212 1.00 0.00 O ATOM 0 H SER A 52 8.986 12.453 -3.538 1.00 0.00 H new ATOM 0 HA SER A 52 8.490 14.704 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.693 13.128 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.595 12.107 -6.369 1.00 0.00 H new ATOM 0 HG SER A 52 10.744 13.582 -7.726 1.00 0.00 H new ATOM 749 N ALA A 53 6.549 12.371 -4.617 1.00 0.00 N ATOM 750 CA ALA A 53 5.237 11.787 -4.881 1.00 0.00 C ATOM 751 C ALA A 53 4.212 12.918 -4.868 1.00 0.00 C ATOM 752 O ALA A 53 3.450 13.069 -3.919 1.00 0.00 O ATOM 753 CB ALA A 53 4.902 10.693 -3.861 1.00 0.00 C ATOM 0 H ALA A 53 6.854 12.291 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 53 5.227 11.300 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.919 10.277 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.651 9.903 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.897 11.120 -2.858 1.00 0.00 H new ATOM 759 N ASP A 54 4.227 13.767 -5.893 1.00 0.00 N ATOM 760 CA ASP A 54 3.382 14.971 -5.980 1.00 0.00 C ATOM 761 C ASP A 54 1.893 14.626 -6.032 1.00 0.00 C ATOM 762 O ASP A 54 1.032 15.475 -5.798 1.00 0.00 O ATOM 763 CB ASP A 54 3.747 15.814 -7.211 1.00 0.00 C ATOM 764 CG ASP A 54 5.187 16.318 -7.195 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.705 16.675 -6.111 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.820 16.288 -8.273 1.00 0.00 O ATOM 0 H ASP A 54 4.834 13.642 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 54 3.572 15.547 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.588 15.218 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.072 16.668 -7.271 1.00 0.00 H new ATOM 771 N TRP A 55 1.579 13.367 -6.332 1.00 0.00 N ATOM 772 CA TRP A 55 0.252 12.778 -6.296 1.00 0.00 C ATOM 773 C TRP A 55 -0.259 12.560 -4.863 1.00 0.00 C ATOM 774 O TRP A 55 -1.437 12.245 -4.689 1.00 0.00 O ATOM 775 CB TRP A 55 0.300 11.464 -7.087 1.00 0.00 C ATOM 776 CG TRP A 55 1.295 10.453 -6.622 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.569 10.351 -7.049 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.108 9.388 -5.655 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.190 9.299 -6.402 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.338 8.689 -5.506 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.022 8.977 -4.861 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.493 7.653 -4.577 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.160 7.912 -3.958 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.395 7.264 -3.801 1.00 0.00 C ATOM 0 H TRP A 55 2.290 12.696 -6.623 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.460 13.467 -6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.690 11.009 -7.057 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.512 11.699 -8.130 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.033 10.992 -7.784 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.155 9.011 -6.566 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.927 9.486 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.447 7.161 -4.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.692 7.588 -3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.498 6.465 -3.081 1.00 0.00 H new ATOM 795 N ILE A 56 0.583 12.698 -3.834 1.00 0.00 N ATOM 796 CA ILE A 56 0.186 12.780 -2.434 1.00 0.00 C ATOM 797 C ILE A 56 0.040 14.265 -2.089 1.00 0.00 C ATOM 798 O ILE A 56 0.836 15.104 -2.515 1.00 0.00 O ATOM 799 CB ILE A 56 1.231 12.052 -1.542 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.329 10.546 -1.884 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.836 12.173 -0.059 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.488 9.772 -1.223 1.00 0.00 C ATOM 0 H ILE A 56 1.593 12.757 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.766 12.281 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 56 2.194 12.527 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.392 10.068 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.423 10.446 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.574 11.660 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.797 13.225 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.143 11.720 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.454 8.729 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.438 10.211 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.391 9.828 -0.139 1.00 0.00 H new ATOM 814 N GLU A 57 -0.986 14.572 -1.297 1.00 0.00 N ATOM 815 CA GLU A 57 -1.269 15.889 -0.741 1.00 0.00 C ATOM 816 C GLU A 57 -0.061 16.369 0.042 1.00 0.00 C ATOM 817 O GLU A 57 0.533 15.605 0.802 1.00 0.00 O ATOM 818 CB GLU A 57 -2.494 15.831 0.189 1.00 0.00 C ATOM 819 CG GLU A 57 -3.590 14.900 -0.266 1.00 0.00 C ATOM 820 CD GLU A 57 -4.925 15.235 0.395 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.514 16.287 0.037 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.431 14.427 1.206 1.00 0.00 O ATOM 0 H GLU A 57 -1.674 13.874 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.484 16.579 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.165 15.524 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.907 16.835 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.694 14.962 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.315 13.872 -0.031 1.00 0.00 H new ATOM 829 N GLU A 58 0.245 17.656 -0.045 1.00 0.00 N ATOM 830 CA GLU A 58 1.286 18.268 0.758 1.00 0.00 C ATOM 831 C GLU A 58 1.154 17.987 2.274 1.00 0.00 C ATOM 832 O GLU A 58 2.190 17.723 2.905 1.00 0.00 O ATOM 833 CB GLU A 58 1.322 19.773 0.481 1.00 0.00 C ATOM 834 CG GLU A 58 2.730 20.308 0.756 1.00 0.00 C ATOM 835 CD GLU A 58 3.696 20.242 -0.437 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.308 19.846 -1.560 1.00 0.00 O ATOM 837 OE2 GLU A 58 4.883 20.595 -0.250 1.00 0.00 O ATOM 0 H GLU A 58 -0.225 18.304 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 58 2.229 17.809 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.042 19.970 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.596 20.287 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.651 21.345 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.161 19.745 1.584 1.00 0.00 H new ATOM 844 N PRO A 59 -0.048 18.016 2.900 1.00 0.00 N ATOM 845 CA PRO A 59 -0.144 17.746 4.331 1.00 0.00 C ATOM 846 C PRO A 59 0.017 16.249 4.620 1.00 0.00 C ATOM 847 O PRO A 59 0.535 15.870 5.668 1.00 0.00 O ATOM 848 CB PRO A 59 -1.520 18.254 4.761 1.00 0.00 C ATOM 849 CG PRO A 59 -2.373 18.088 3.508 1.00 0.00 C ATOM 850 CD PRO A 59 -1.385 18.271 2.350 1.00 0.00 C ATOM 0 HA PRO A 59 0.650 18.245 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.917 17.676 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.480 19.294 5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.846 17.106 3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.172 18.828 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.608 17.581 1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.450 19.279 1.940 1.00 0.00 H new ATOM 858 N VAL A 60 -0.385 15.393 3.680 1.00 0.00 N ATOM 859 CA VAL A 60 -0.309 13.952 3.809 1.00 0.00 C ATOM 860 C VAL A 60 1.159 13.541 3.674 1.00 0.00 C ATOM 861 O VAL A 60 1.645 12.769 4.497 1.00 0.00 O ATOM 862 CB VAL A 60 -1.249 13.310 2.770 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.145 11.790 2.712 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.721 13.627 3.069 1.00 0.00 C ATOM 0 H VAL A 60 -0.780 15.697 2.790 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.648 13.598 4.782 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.928 13.737 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.834 11.407 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.126 11.505 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.400 11.370 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.354 13.158 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.983 13.242 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.872 14.706 3.049 1.00 0.00 H new ATOM 874 N ARG A 61 1.901 14.083 2.697 1.00 0.00 N ATOM 875 CA ARG A 61 3.315 13.777 2.483 1.00 0.00 C ATOM 876 C ARG A 61 4.079 13.930 3.788 1.00 0.00 C ATOM 877 O ARG A 61 4.693 12.978 4.265 1.00 0.00 O ATOM 878 CB ARG A 61 3.949 14.681 1.406 1.00 0.00 C ATOM 879 CG ARG A 61 3.599 14.328 -0.039 1.00 0.00 C ATOM 880 CD ARG A 61 4.652 14.789 -1.055 1.00 0.00 C ATOM 881 NE ARG A 61 4.542 16.207 -1.453 1.00 0.00 N ATOM 882 CZ ARG A 61 4.967 16.692 -2.634 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.600 15.897 -3.490 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.751 17.954 -2.982 1.00 0.00 N ATOM 0 H ARG A 61 1.527 14.755 2.027 1.00 0.00 H new ATOM 0 HA ARG A 61 3.376 12.747 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.643 15.710 1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.033 14.645 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.475 13.248 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.640 14.779 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.643 14.619 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.574 14.168 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 61 4.118 16.858 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.764 14.919 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.922 16.265 -4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.253 18.580 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.083 18.299 -3.883 1.00 0.00 H new ATOM 898 N GLN A 62 4.026 15.121 4.379 1.00 0.00 N ATOM 899 CA GLN A 62 4.791 15.400 5.583 1.00 0.00 C ATOM 900 C GLN A 62 4.273 14.596 6.779 1.00 0.00 C ATOM 901 O GLN A 62 5.014 14.454 7.748 1.00 0.00 O ATOM 902 CB GLN A 62 4.817 16.905 5.867 1.00 0.00 C ATOM 903 CG GLN A 62 3.507 17.382 6.484 1.00 0.00 C ATOM 904 CD GLN A 62 3.326 18.878 6.327 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.484 19.632 7.284 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.004 19.354 5.141 1.00 0.00 N ATOM 0 H GLN A 62 3.463 15.902 4.043 1.00 0.00 H new ATOM 0 HA GLN A 62 5.819 15.078 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.642 17.135 6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.002 17.448 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.672 16.863 6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.487 17.122 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.875 18.718 4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.883 20.358 5.010 1.00 0.00 H new ATOM 915 N LYS A 63 3.037 14.074 6.748 1.00 0.00 N ATOM 916 CA LYS A 63 2.584 13.104 7.716 1.00 0.00 C ATOM 917 C LYS A 63 3.362 11.815 7.506 1.00 0.00 C ATOM 918 O LYS A 63 4.150 11.503 8.375 1.00 0.00 O ATOM 919 CB LYS A 63 1.065 12.905 7.640 1.00 0.00 C ATOM 920 CG LYS A 63 0.348 13.323 8.927 1.00 0.00 C ATOM 921 CD LYS A 63 0.241 14.852 9.054 1.00 0.00 C ATOM 922 CE LYS A 63 -0.430 15.236 10.379 1.00 0.00 C ATOM 923 NZ LYS A 63 -0.583 16.699 10.551 1.00 0.00 N ATOM 0 H LYS A 63 2.338 14.321 6.048 1.00 0.00 H new ATOM 0 HA LYS A 63 2.778 13.464 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.669 13.482 6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.850 11.857 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.651 12.887 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.885 12.924 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.234 15.298 9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.334 15.253 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.412 14.766 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.159 14.839 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.042 16.895 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.354 17.151 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.168 17.080 9.780 1.00 0.00 H new ATOM 937 N ILE A 64 3.244 11.083 6.391 1.00 0.00 N ATOM 938 CA ILE A 64 3.950 9.831 6.113 1.00 0.00 C ATOM 939 C ILE A 64 5.465 9.981 6.334 1.00 0.00 C ATOM 940 O ILE A 64 6.100 9.028 6.788 1.00 0.00 O ATOM 941 CB ILE A 64 3.532 9.337 4.706 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.103 8.747 4.663 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.426 8.239 4.142 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.044 9.812 4.433 1.00 0.00 C ATOM 0 H ILE A 64 2.627 11.361 5.627 1.00 0.00 H new ATOM 0 HA ILE A 64 3.664 9.052 6.820 1.00 0.00 H new ATOM 0 HB ILE A 64 3.610 10.248 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.044 8.002 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.898 8.231 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.067 7.948 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.449 8.608 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.403 7.374 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.059 9.347 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.082 10.543 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.231 10.311 3.482 1.00 0.00 H new ATOM 956 N ALA A 65 6.033 11.171 6.108 1.00 0.00 N ATOM 957 CA ALA A 65 7.435 11.483 6.338 1.00 0.00 C ATOM 958 C ALA A 65 7.845 11.209 7.800 1.00 0.00 C ATOM 959 O ALA A 65 8.986 10.837 8.072 1.00 0.00 O ATOM 960 CB ALA A 65 7.667 12.951 5.971 1.00 0.00 C ATOM 0 H ALA A 65 5.505 11.966 5.748 1.00 0.00 H new ATOM 0 HA ALA A 65 8.055 10.840 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.714 13.206 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.417 13.108 4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.036 13.586 6.593 1.00 0.00 H new ATOM 966 N LEU A 66 6.916 11.460 8.733 1.00 0.00 N ATOM 967 CA LEU A 66 6.986 11.300 10.184 1.00 0.00 C ATOM 968 C LEU A 66 6.268 10.027 10.648 1.00 0.00 C ATOM 969 O LEU A 66 6.844 9.155 11.286 1.00 0.00 O ATOM 970 CB LEU A 66 6.321 12.525 10.843 1.00 0.00 C ATOM 971 CG LEU A 66 6.865 13.885 10.370 1.00 0.00 C ATOM 972 CD1 LEU A 66 5.963 15.018 10.856 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.311 14.100 10.796 1.00 0.00 C ATOM 0 H LEU A 66 6.002 11.818 8.455 1.00 0.00 H new ATOM 0 HA LEU A 66 8.033 11.218 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.250 12.489 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.449 12.454 11.923 1.00 0.00 H new ATOM 0 HG LEU A 66 6.858 13.886 9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.362 15.973 10.513 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.958 14.880 10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.925 15.011 11.945 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.654 15.072 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.379 14.066 11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.937 13.316 10.369 1.00 0.00 H new ATOM 985 N THR A 67 4.983 9.922 10.348 1.00 0.00 N ATOM 986 CA THR A 67 4.042 8.933 10.840 1.00 0.00 C ATOM 987 C THR A 67 4.355 7.534 10.314 1.00 0.00 C ATOM 988 O THR A 67 4.057 6.548 10.978 1.00 0.00 O ATOM 989 CB THR A 67 2.659 9.433 10.411 1.00 0.00 C ATOM 990 OG1 THR A 67 2.428 10.716 10.972 1.00 0.00 O ATOM 991 CG2 THR A 67 1.534 8.497 10.810 1.00 0.00 C ATOM 0 H THR A 67 4.539 10.577 9.705 1.00 0.00 H new ATOM 0 HA THR A 67 4.098 8.830 11.924 1.00 0.00 H new ATOM 0 HB THR A 67 2.661 9.479 9.322 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.544 11.039 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.582 8.910 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.690 7.523 10.346 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.521 8.385 11.894 1.00 0.00 H new ATOM 999 N HIS A 68 5.000 7.445 9.151 1.00 0.00 N ATOM 1000 CA HIS A 68 5.441 6.186 8.563 1.00 0.00 C ATOM 1001 C HIS A 68 6.945 6.229 8.342 1.00 0.00 C ATOM 1002 O HIS A 68 7.502 5.518 7.503 1.00 0.00 O ATOM 1003 CB HIS A 68 4.660 5.893 7.287 1.00 0.00 C ATOM 1004 CG HIS A 68 3.192 5.697 7.538 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.252 6.682 7.662 1.00 0.00 N flip ATOM 1006 CD2 HIS A 68 2.563 4.494 7.752 1.00 0.00 C flip ATOM 1007 CE1 HIS A 68 1.028 6.073 7.900 1.00 0.00 C flip ATOM 1008 NE2 HIS A 68 1.260 4.754 7.939 1.00 0.00 N flip ATOM 0 H HIS A 68 5.233 8.260 8.584 1.00 0.00 H new ATOM 0 HA HIS A 68 5.236 5.361 9.245 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.798 6.715 6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.066 4.999 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.030 3.521 7.767 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.075 6.566 8.029 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.543 4.044 8.090 1.00 0.00 H new ATOM 1016 N LYS A 69 7.646 7.049 9.124 1.00 0.00 N ATOM 1017 CA LYS A 69 9.096 7.140 9.045 1.00 0.00 C ATOM 1018 C LYS A 69 9.787 5.809 9.294 1.00 0.00 C ATOM 1019 O LYS A 69 10.921 5.626 8.875 1.00 0.00 O ATOM 1020 CB LYS A 69 9.585 8.170 10.053 1.00 0.00 C ATOM 1021 CG LYS A 69 9.381 7.670 11.492 1.00 0.00 C ATOM 1022 CD LYS A 69 9.722 8.750 12.512 1.00 0.00 C ATOM 1023 CE LYS A 69 11.217 8.635 12.773 1.00 0.00 C ATOM 1024 NZ LYS A 69 11.499 7.471 13.651 1.00 0.00 N ATOM 0 H LYS A 69 7.226 7.662 9.823 1.00 0.00 H new ATOM 0 HA LYS A 69 9.351 7.442 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.641 8.378 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.048 9.108 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.346 7.355 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.005 6.794 11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.469 9.739 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.155 8.609 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.750 8.525 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.583 9.549 13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.357 7.656 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.695 7.318 14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.642 6.622 13.067 1.00 0.00 H new ATOM 1038 N ASN A 70 9.133 4.893 9.999 1.00 0.00 N ATOM 1039 CA ASN A 70 9.700 3.601 10.352 1.00 0.00 C ATOM 1040 C ASN A 70 9.700 2.684 9.128 1.00 0.00 C ATOM 1041 O ASN A 70 10.363 1.652 9.115 1.00 0.00 O ATOM 1042 CB ASN A 70 8.889 3.020 11.512 1.00 0.00 C ATOM 1043 CG ASN A 70 8.733 4.052 12.633 1.00 0.00 C ATOM 1044 OD1 ASN A 70 9.687 4.725 13.024 1.00 0.00 O ATOM 1045 ND2 ASN A 70 7.510 4.283 13.081 1.00 0.00 N ATOM 0 H ASN A 70 8.183 5.030 10.345 1.00 0.00 H new ATOM 0 HA ASN A 70 10.737 3.704 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.906 2.711 11.156 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.384 2.129 11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.347 5.027 13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.729 3.717 12.748 1.00 0.00 H new ATOM 1052 N LYS A 71 8.958 3.067 8.087 1.00 0.00 N ATOM 1053 CA LYS A 71 8.951 2.456 6.774 1.00 0.00 C ATOM 1054 C LYS A 71 10.024 3.069 5.885 1.00 0.00 C ATOM 1055 O LYS A 71 10.662 2.379 5.093 1.00 0.00 O ATOM 1056 CB LYS A 71 7.567 2.607 6.155 1.00 0.00 C ATOM 1057 CG LYS A 71 6.371 2.235 7.033 1.00 0.00 C ATOM 1058 CD LYS A 71 6.277 0.747 7.385 1.00 0.00 C ATOM 1059 CE LYS A 71 5.128 0.072 6.624 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.832 -1.249 7.215 1.00 0.00 N ATOM 0 H LYS A 71 8.314 3.855 8.150 1.00 0.00 H new ATOM 0 HA LYS A 71 9.179 1.395 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.447 3.644 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.530 1.995 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.422 2.811 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.455 2.533 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.218 0.253 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.124 0.633 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.239 0.702 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.396 -0.043 5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.053 -1.697 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.678 -1.852 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.557 -1.130 8.211 1.00 0.00 H new ATOM 1074 N ILE A 72 10.238 4.380 5.996 1.00 0.00 N ATOM 1075 CA ILE A 72 11.310 5.075 5.294 1.00 0.00 C ATOM 1076 C ILE A 72 12.648 4.441 5.686 1.00 0.00 C ATOM 1077 O ILE A 72 12.851 4.058 6.839 1.00 0.00 O ATOM 1078 CB ILE A 72 11.273 6.566 5.675 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.953 7.242 5.265 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.477 7.372 5.144 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.845 8.681 5.768 1.00 0.00 C ATOM 0 H ILE A 72 9.667 4.991 6.580 1.00 0.00 H new ATOM 0 HA ILE A 72 11.185 4.990 4.215 1.00 0.00 H new ATOM 0 HB ILE A 72 11.341 6.575 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.868 7.234 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.116 6.662 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.382 8.413 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.400 6.957 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.501 7.316 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.894 9.107 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.900 8.691 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.664 9.272 5.358 1.00 0.00 H new ATOM 1093 N ASN A 73 13.574 4.405 4.727 1.00 0.00 N ATOM 1094 CA ASN A 73 14.958 3.994 4.969 1.00 0.00 C ATOM 1095 C ASN A 73 15.707 5.083 5.747 1.00 0.00 C ATOM 1096 O ASN A 73 16.181 4.842 6.851 1.00 0.00 O ATOM 1097 CB ASN A 73 15.688 3.617 3.660 1.00 0.00 C ATOM 1098 CG ASN A 73 16.047 4.793 2.754 1.00 0.00 C ATOM 1099 OD1 ASN A 73 17.159 5.305 2.747 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.091 5.390 2.067 1.00 0.00 N ATOM 0 H ASN A 73 13.385 4.661 3.758 1.00 0.00 H new ATOM 0 HA ASN A 73 14.940 3.091 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.603 3.082 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.060 2.925 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.292 6.248 1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.152 4.993 2.049 1.00 0.00 H new ATOM 1107 N LYS A 74 15.814 6.280 5.161 1.00 0.00 N ATOM 1108 CA LYS A 74 16.680 7.394 5.538 1.00 0.00 C ATOM 1109 C LYS A 74 16.418 8.534 4.556 1.00 0.00 C ATOM 1110 O LYS A 74 16.114 9.645 4.974 1.00 0.00 O ATOM 1111 CB LYS A 74 18.171 6.966 5.490 1.00 0.00 C ATOM 1112 CG LYS A 74 18.834 6.900 6.877 1.00 0.00 C ATOM 1113 CD LYS A 74 19.556 8.197 7.267 1.00 0.00 C ATOM 1114 CE LYS A 74 20.877 8.348 6.501 1.00 0.00 C ATOM 1115 NZ LYS A 74 21.739 9.406 7.066 1.00 0.00 N ATOM 0 H LYS A 74 15.249 6.510 4.344 1.00 0.00 H new ATOM 0 HA LYS A 74 16.465 7.714 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.245 5.989 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.723 7.668 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.074 6.677 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.548 6.076 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.912 9.052 7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.752 8.199 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.413 7.399 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.664 8.576 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.618 9.469 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.240 10.318 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.966 9.177 8.055 1.00 0.00 H new ATOM 1129 N ALA A 75 16.457 8.258 3.247 1.00 0.00 N ATOM 1130 CA ALA A 75 16.460 9.278 2.192 1.00 0.00 C ATOM 1131 C ALA A 75 15.081 9.890 1.904 1.00 0.00 C ATOM 1132 O ALA A 75 14.895 10.500 0.850 1.00 0.00 O ATOM 1133 CB ALA A 75 17.031 8.657 0.910 1.00 0.00 C ATOM 0 H ALA A 75 16.488 7.305 2.886 1.00 0.00 H new ATOM 0 HA ALA A 75 17.079 10.101 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.039 9.404 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.048 8.312 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.411 7.813 0.607 1.00 0.00 H new ATOM 1139 N GLY A 76 14.074 9.631 2.742 1.00 0.00 N ATOM 1140 CA GLY A 76 12.709 10.068 2.469 1.00 0.00 C ATOM 1141 C GLY A 76 12.038 9.206 1.401 1.00 0.00 C ATOM 1142 O GLY A 76 10.908 9.469 0.989 1.00 0.00 O ATOM 0 H GLY A 76 14.182 9.119 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.124 10.028 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.719 11.108 2.143 1.00 0.00 H new ATOM 1146 N GLU A 77 12.728 8.167 0.934 1.00 0.00 N ATOM 1147 CA GLU A 77 12.127 7.109 0.158 1.00 0.00 C ATOM 1148 C GLU A 77 11.406 6.205 1.146 1.00 0.00 C ATOM 1149 O GLU A 77 12.032 5.602 2.028 1.00 0.00 O ATOM 1150 CB GLU A 77 13.163 6.368 -0.676 1.00 0.00 C ATOM 1151 CG GLU A 77 13.913 7.318 -1.617 1.00 0.00 C ATOM 1152 CD GLU A 77 14.566 6.527 -2.740 1.00 0.00 C ATOM 1153 OE1 GLU A 77 15.267 5.539 -2.439 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.271 6.811 -3.923 1.00 0.00 O ATOM 0 H GLU A 77 13.728 8.044 1.091 1.00 0.00 H new ATOM 0 HA GLU A 77 11.418 7.505 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.875 5.871 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.672 5.589 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.223 8.053 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.671 7.871 -1.062 1.00 0.00 H new ATOM 1161 N LEU A 78 10.083 6.188 1.019 1.00 0.00 N ATOM 1162 CA LEU A 78 9.183 5.309 1.729 1.00 0.00 C ATOM 1163 C LEU A 78 9.306 3.986 1.009 1.00 0.00 C ATOM 1164 O LEU A 78 9.161 3.963 -0.210 1.00 0.00 O ATOM 1165 CB LEU A 78 7.738 5.843 1.633 1.00 0.00 C ATOM 1166 CG LEU A 78 6.793 5.109 2.607 1.00 0.00 C ATOM 1167 CD1 LEU A 78 7.048 5.618 4.024 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.303 5.340 2.311 1.00 0.00 C ATOM 0 H LEU A 78 9.594 6.820 0.386 1.00 0.00 H new ATOM 0 HA LEU A 78 9.422 5.228 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.729 6.911 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.373 5.724 0.613 1.00 0.00 H new ATOM 0 HG LEU A 78 7.004 4.046 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.384 5.105 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.084 5.423 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.858 6.690 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.699 4.794 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.079 6.404 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.073 4.986 1.306 1.00 0.00 H new ATOM 1180 N VAL A 79 9.580 2.911 1.728 1.00 0.00 N ATOM 1181 CA VAL A 79 9.523 1.561 1.198 1.00 0.00 C ATOM 1182 C VAL A 79 8.599 0.797 2.131 1.00 0.00 C ATOM 1183 O VAL A 79 8.516 1.111 3.317 1.00 0.00 O ATOM 1184 CB VAL A 79 10.940 0.984 0.951 1.00 0.00 C ATOM 1185 CG1 VAL A 79 12.062 1.640 1.768 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.020 -0.545 1.045 1.00 0.00 C ATOM 0 H VAL A 79 9.852 2.953 2.710 1.00 0.00 H new ATOM 0 HA VAL A 79 9.101 1.494 0.195 1.00 0.00 H new ATOM 0 HB VAL A 79 11.121 1.256 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.013 1.167 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.113 2.702 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.857 1.517 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.044 -0.868 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.713 -0.865 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.359 -0.990 0.301 1.00 0.00 H new ATOM 1196 N LEU A 80 7.835 -0.153 1.608 1.00 0.00 N ATOM 1197 CA LEU A 80 7.117 -1.136 2.385 1.00 0.00 C ATOM 1198 C LEU A 80 7.041 -2.412 1.567 1.00 0.00 C ATOM 1199 O LEU A 80 7.364 -2.427 0.373 1.00 0.00 O ATOM 1200 CB LEU A 80 5.740 -0.620 2.832 1.00 0.00 C ATOM 1201 CG LEU A 80 4.571 -0.554 1.836 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.410 0.233 2.449 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.901 0.135 0.519 1.00 0.00 C ATOM 0 H LEU A 80 7.699 -0.258 0.603 1.00 0.00 H new ATOM 0 HA LEU A 80 7.648 -1.344 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.418 -1.244 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.885 0.386 3.225 1.00 0.00 H new ATOM 0 HG LEU A 80 4.324 -1.595 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.585 0.276 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.077 -0.261 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.740 1.245 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.019 0.136 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.210 1.162 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.711 -0.399 0.022 1.00 0.00 H new ATOM 1215 N THR A 81 6.621 -3.487 2.218 1.00 0.00 N ATOM 1216 CA THR A 81 6.485 -4.783 1.586 1.00 0.00 C ATOM 1217 C THR A 81 5.146 -5.343 2.037 1.00 0.00 C ATOM 1218 O THR A 81 4.655 -4.971 3.110 1.00 0.00 O ATOM 1219 CB THR A 81 7.707 -5.675 1.903 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.678 -6.256 3.192 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.038 -4.909 1.775 1.00 0.00 C ATOM 0 H THR A 81 6.365 -3.480 3.205 1.00 0.00 H new ATOM 0 HA THR A 81 6.481 -4.724 0.498 1.00 0.00 H new ATOM 0 HB THR A 81 7.644 -6.468 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.252 -7.137 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.867 -5.578 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.147 -4.537 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.043 -4.070 2.471 1.00 0.00 H new ATOM 1229 N SER A 82 4.509 -6.167 1.215 1.00 0.00 N ATOM 1230 CA SER A 82 3.338 -6.913 1.621 1.00 0.00 C ATOM 1231 C SER A 82 3.436 -8.280 0.941 1.00 0.00 C ATOM 1232 O SER A 82 3.747 -8.344 -0.252 1.00 0.00 O ATOM 1233 CB SER A 82 2.084 -6.079 1.306 1.00 0.00 C ATOM 1234 OG SER A 82 1.145 -6.256 2.343 1.00 0.00 O ATOM 0 H SER A 82 4.794 -6.333 0.250 1.00 0.00 H new ATOM 0 HA SER A 82 3.271 -7.102 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.346 -5.025 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.655 -6.388 0.353 1.00 0.00 H new ATOM 0 HG SER A 82 0.674 -7.106 2.217 1.00 0.00 H new ATOM 1240 N GLU A 83 3.233 -9.368 1.687 1.00 0.00 N ATOM 1241 CA GLU A 83 3.420 -10.731 1.206 1.00 0.00 C ATOM 1242 C GLU A 83 2.241 -11.581 1.683 1.00 0.00 C ATOM 1243 O GLU A 83 2.050 -11.756 2.886 1.00 0.00 O ATOM 1244 CB GLU A 83 4.753 -11.327 1.698 1.00 0.00 C ATOM 1245 CG GLU A 83 6.016 -10.533 1.374 1.00 0.00 C ATOM 1246 CD GLU A 83 6.721 -9.954 2.620 1.00 0.00 C ATOM 1247 OE1 GLU A 83 6.975 -10.721 3.581 1.00 0.00 O ATOM 1248 OE2 GLU A 83 7.136 -8.770 2.628 1.00 0.00 O ATOM 0 H GLU A 83 2.929 -9.321 2.659 1.00 0.00 H new ATOM 0 HA GLU A 83 3.458 -10.723 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.694 -11.447 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.859 -12.325 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.713 -11.178 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.758 -9.716 0.701 1.00 0.00 H new ATOM 1255 N SER A 84 1.434 -12.087 0.754 1.00 0.00 N ATOM 1256 CA SER A 84 0.286 -12.943 1.031 1.00 0.00 C ATOM 1257 C SER A 84 0.057 -13.962 -0.093 1.00 0.00 C ATOM 1258 O SER A 84 -0.439 -15.065 0.167 1.00 0.00 O ATOM 1259 CB SER A 84 -0.943 -12.039 1.213 1.00 0.00 C ATOM 1260 OG SER A 84 -2.079 -12.748 1.679 1.00 0.00 O ATOM 0 H SER A 84 1.566 -11.907 -0.241 1.00 0.00 H new ATOM 0 HA SER A 84 0.469 -13.519 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.702 -11.243 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.182 -11.562 0.263 1.00 0.00 H new ATOM 0 HG SER A 84 -2.832 -12.129 1.780 1.00 0.00 H new ATOM 1266 N SER A 85 0.420 -13.642 -1.338 1.00 0.00 N ATOM 1267 CA SER A 85 0.021 -14.398 -2.511 1.00 0.00 C ATOM 1268 C SER A 85 1.236 -14.964 -3.228 1.00 0.00 C ATOM 1269 O SER A 85 2.372 -14.574 -2.969 1.00 0.00 O ATOM 1270 CB SER A 85 -0.785 -13.480 -3.436 1.00 0.00 C ATOM 1271 OG SER A 85 -2.039 -14.059 -3.727 1.00 0.00 O ATOM 0 H SER A 85 1.008 -12.837 -1.554 1.00 0.00 H new ATOM 0 HA SER A 85 -0.598 -15.243 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.926 -12.508 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.233 -13.307 -4.360 1.00 0.00 H new ATOM 0 HG SER A 85 -2.181 -14.062 -4.697 1.00 0.00 H new ATOM 1277 N ARG A 86 0.980 -15.863 -4.175 1.00 0.00 N ATOM 1278 CA ARG A 86 1.968 -16.383 -5.108 1.00 0.00 C ATOM 1279 C ARG A 86 2.078 -15.494 -6.349 1.00 0.00 C ATOM 1280 O ARG A 86 3.031 -15.659 -7.109 1.00 0.00 O ATOM 1281 CB ARG A 86 1.590 -17.843 -5.436 1.00 0.00 C ATOM 1282 CG ARG A 86 0.621 -18.069 -6.623 1.00 0.00 C ATOM 1283 CD ARG A 86 1.270 -18.250 -8.010 1.00 0.00 C ATOM 1284 NE ARG A 86 2.152 -19.426 -8.033 1.00 0.00 N ATOM 1285 CZ ARG A 86 3.458 -19.460 -7.755 1.00 0.00 C ATOM 1286 NH1 ARG A 86 4.164 -18.336 -7.628 1.00 0.00 N ATOM 1287 NH2 ARG A 86 4.036 -20.640 -7.564 1.00 0.00 N ATOM 0 H ARG A 86 0.051 -16.260 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 86 2.963 -16.374 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.509 -18.393 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.144 -18.286 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.018 -18.952 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.062 -17.221 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.493 -18.359 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.842 -17.358 -8.267 1.00 0.00 H new ATOM 0 HE ARG A 86 1.719 -20.313 -8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.707 -17.431 -7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.161 -18.381 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.484 -21.495 -7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.032 -20.691 -7.351 1.00 0.00 H new ATOM 1301 N TYR A 87 1.080 -14.637 -6.606 1.00 0.00 N ATOM 1302 CA TYR A 87 1.032 -13.764 -7.769 1.00 0.00 C ATOM 1303 C TYR A 87 1.972 -12.560 -7.606 1.00 0.00 C ATOM 1304 O TYR A 87 2.283 -12.187 -6.476 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.401 -13.248 -7.896 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.531 -14.255 -7.723 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.589 -15.448 -8.468 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.544 -13.987 -6.787 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.654 -16.352 -8.267 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.618 -14.861 -6.598 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.689 -16.049 -7.350 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.717 -16.914 -7.136 1.00 0.00 O ATOM 0 H TYR A 87 0.271 -14.535 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 87 1.346 -14.323 -8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.540 -12.457 -7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.507 -12.790 -8.879 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.820 -15.671 -9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.491 -13.083 -6.199 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.680 -17.281 -8.817 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.389 -14.626 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.330 -16.535 -6.472 1.00 0.00 H new ATOM 1322 N GLN A 88 2.337 -11.887 -8.708 1.00 0.00 N ATOM 1323 CA GLN A 88 3.070 -10.617 -8.637 1.00 0.00 C ATOM 1324 C GLN A 88 2.146 -9.463 -8.214 1.00 0.00 C ATOM 1325 O GLN A 88 2.205 -9.034 -7.060 1.00 0.00 O ATOM 1326 CB GLN A 88 3.877 -10.297 -9.915 1.00 0.00 C ATOM 1327 CG GLN A 88 3.246 -10.593 -11.294 1.00 0.00 C ATOM 1328 CD GLN A 88 3.565 -11.983 -11.851 1.00 0.00 C ATOM 1329 OE1 GLN A 88 4.600 -12.576 -11.566 1.00 0.00 O ATOM 1330 NE2 GLN A 88 2.693 -12.555 -12.659 1.00 0.00 N ATOM 0 H GLN A 88 2.136 -12.202 -9.657 1.00 0.00 H new ATOM 0 HA GLN A 88 3.821 -10.737 -7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.128 -9.237 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.816 -10.848 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.164 -10.486 -11.215 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.589 -9.842 -12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.829 -12.070 -12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.883 -13.482 -13.040 1.00 0.00 H new ATOM 1339 N PHE A 89 1.304 -8.952 -9.130 1.00 0.00 N ATOM 1340 CA PHE A 89 0.488 -7.755 -8.903 1.00 0.00 C ATOM 1341 C PHE A 89 -0.340 -7.860 -7.620 1.00 0.00 C ATOM 1342 O PHE A 89 -0.429 -6.867 -6.923 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.370 -7.405 -10.132 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.519 -6.443 -9.865 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.308 -5.050 -9.910 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.800 -6.942 -9.548 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.366 -4.167 -9.632 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -3.855 -6.056 -9.269 1.00 0.00 C ATOM 1349 CZ PHE A 89 -3.637 -4.668 -9.303 1.00 0.00 C ATOM 0 H PHE A 89 1.173 -9.364 -10.054 1.00 0.00 H new ATOM 0 HA PHE A 89 1.175 -6.921 -8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.276 -6.972 -10.895 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.778 -8.327 -10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.332 -4.660 -10.158 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.971 -8.008 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.201 -3.100 -9.671 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.834 -6.442 -9.028 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.445 -3.988 -9.077 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.876 -9.023 -7.233 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.631 -9.153 -5.978 1.00 0.00 C ATOM 1361 C ARG A 90 -0.853 -8.672 -4.754 1.00 0.00 C ATOM 1362 O ARG A 90 -1.371 -7.866 -3.986 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.028 -10.610 -5.756 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.038 -10.780 -4.609 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.476 -10.710 -5.118 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.261 -9.694 -4.406 1.00 0.00 N ATOM 1367 CZ ARG A 90 -5.838 -9.806 -3.203 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -5.774 -10.945 -2.526 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.496 -8.770 -2.690 1.00 0.00 N ATOM 0 H ARG A 90 -0.802 -9.888 -7.769 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.510 -8.517 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.457 -11.010 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.135 -11.197 -5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.872 -11.737 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.877 -10.003 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.473 -10.485 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.951 -11.684 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.381 -8.800 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.282 -11.746 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.217 -11.020 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.559 -7.896 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.938 -8.849 -1.774 1.00 0.00 H new ATOM 1383 N ASN A 91 0.358 -9.203 -4.546 1.00 0.00 N ATOM 1384 CA ASN A 91 1.167 -8.875 -3.370 1.00 0.00 C ATOM 1385 C ASN A 91 1.362 -7.365 -3.332 1.00 0.00 C ATOM 1386 O ASN A 91 1.108 -6.693 -2.333 1.00 0.00 O ATOM 1387 CB ASN A 91 2.534 -9.581 -3.430 1.00 0.00 C ATOM 1388 CG ASN A 91 2.482 -11.017 -2.952 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.922 -11.303 -1.902 1.00 0.00 O ATOM 1390 ND2 ASN A 91 3.044 -11.956 -3.683 1.00 0.00 N ATOM 0 H ASN A 91 0.800 -9.866 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 91 0.656 -9.216 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.903 -9.559 -4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.249 -9.027 -2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.014 -12.928 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.509 -11.712 -4.557 1.00 0.00 H new ATOM 1397 N LEU A 92 1.771 -6.858 -4.489 1.00 0.00 N ATOM 1398 CA LEU A 92 2.040 -5.474 -4.803 1.00 0.00 C ATOM 1399 C LEU A 92 0.790 -4.601 -4.614 1.00 0.00 C ATOM 1400 O LEU A 92 0.907 -3.477 -4.135 1.00 0.00 O ATOM 1401 CB LEU A 92 2.603 -5.532 -6.238 1.00 0.00 C ATOM 1402 CG LEU A 92 3.140 -4.263 -6.896 1.00 0.00 C ATOM 1403 CD1 LEU A 92 2.069 -3.431 -7.582 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.970 -3.439 -5.919 1.00 0.00 C ATOM 0 H LEU A 92 1.934 -7.462 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 92 2.756 -4.992 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.409 -6.266 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.814 -5.922 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 92 3.800 -4.595 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.525 -2.546 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.592 -4.024 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.321 -3.125 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.337 -2.543 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.352 -3.152 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.815 -4.032 -5.570 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.408 -5.108 -4.903 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.678 -4.408 -4.785 1.00 0.00 C ATOM 1418 C ALA A 93 -2.066 -4.182 -3.325 1.00 0.00 C ATOM 1419 O ALA A 93 -2.777 -3.216 -3.036 1.00 0.00 O ATOM 1420 CB ALA A 93 -2.785 -5.186 -5.507 1.00 0.00 C ATOM 0 H ALA A 93 -0.520 -6.064 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.558 -3.432 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.729 -4.650 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.531 -5.285 -6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.883 -6.176 -5.063 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.648 -5.039 -2.390 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.813 -4.767 -0.970 1.00 0.00 C ATOM 1428 C GLU A 94 -0.927 -3.601 -0.561 1.00 0.00 C ATOM 1429 O GLU A 94 -1.374 -2.724 0.167 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.466 -5.982 -0.124 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.099 -5.840 1.259 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.786 -7.013 2.185 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.865 -7.808 1.874 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.398 -7.029 3.275 1.00 0.00 O ATOM 0 H GLU A 94 -1.192 -5.928 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.861 -4.519 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.826 -6.890 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.384 -6.077 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.747 -4.917 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.180 -5.750 1.150 1.00 0.00 H new ATOM 1441 N CYS A 95 0.307 -3.544 -1.062 1.00 0.00 N ATOM 1442 CA CYS A 95 1.168 -2.390 -0.853 1.00 0.00 C ATOM 1443 C CYS A 95 0.442 -1.102 -1.260 1.00 0.00 C ATOM 1444 O CYS A 95 0.432 -0.149 -0.484 1.00 0.00 O ATOM 1445 CB CYS A 95 2.494 -2.608 -1.583 1.00 0.00 C ATOM 1446 SG CYS A 95 3.696 -3.290 -0.414 1.00 0.00 S ATOM 0 H CYS A 95 0.730 -4.288 -1.617 1.00 0.00 H new ATOM 0 HA CYS A 95 1.404 -2.276 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.355 -3.289 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.859 -1.666 -1.993 1.00 0.00 H new ATOM 0 HG CYS A 95 4.829 -3.484 -1.020 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.242 -1.099 -2.410 1.00 0.00 N ATOM 1453 CA LEU A 96 -1.058 0.037 -2.851 1.00 0.00 C ATOM 1454 C LEU A 96 -2.217 0.299 -1.896 1.00 0.00 C ATOM 1455 O LEU A 96 -2.497 1.451 -1.590 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.600 -0.144 -4.279 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.569 -0.654 -5.296 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.241 -0.804 -6.667 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.716 0.183 -5.372 1.00 0.00 C ATOM 0 H LEU A 96 -0.245 -1.884 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.392 0.900 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.437 -0.841 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.993 0.811 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.228 -1.628 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.512 -1.166 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.063 -1.516 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.626 0.163 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.388 -0.248 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.468 1.205 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.206 0.187 -4.398 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.893 -0.747 -1.422 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.972 -0.615 -0.455 1.00 0.00 C ATOM 1473 C GLN A 97 -3.457 0.049 0.826 1.00 0.00 C ATOM 1474 O GLN A 97 -4.170 0.891 1.368 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.578 -2.007 -0.189 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.668 -2.057 0.886 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.965 -1.387 0.453 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.543 -1.746 -0.571 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.457 -0.425 1.205 1.00 0.00 N ATOM 0 H GLN A 97 -2.704 -1.710 -1.701 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.758 0.028 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.994 -2.387 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.775 -2.684 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.871 -3.097 1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.300 -1.573 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.966 -0.138 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.329 0.033 0.941 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.254 -0.285 1.324 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.747 0.385 2.527 1.00 0.00 C ATOM 1490 C LYS A 98 -1.440 1.801 2.136 1.00 0.00 C ATOM 1491 O LYS A 98 -1.959 2.663 2.808 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.578 -0.259 3.307 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.570 -1.805 3.233 1.00 0.00 C ATOM 1494 CD LYS A 98 0.765 -2.518 2.960 1.00 0.00 C ATOM 1495 CE LYS A 98 1.065 -3.357 4.200 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.169 -4.314 4.069 1.00 0.00 N ATOM 0 H LYS A 98 -1.635 -0.991 0.926 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.540 0.294 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.365 0.121 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.635 0.047 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.962 -2.184 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.271 -2.104 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.695 -3.147 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.561 -1.796 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.289 -2.683 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.163 -3.906 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.568 -4.514 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.815 -5.197 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.907 -3.911 3.458 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.714 2.067 1.047 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.477 3.418 0.565 1.00 0.00 C ATOM 1512 C ILE A 99 -1.747 4.284 0.626 1.00 0.00 C ATOM 1513 O ILE A 99 -1.633 5.426 1.060 1.00 0.00 O ATOM 1514 CB ILE A 99 0.193 3.323 -0.821 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.665 2.886 -0.637 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.102 4.613 -1.646 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.256 2.244 -1.899 1.00 0.00 C ATOM 0 H ILE A 99 -0.275 1.344 0.477 1.00 0.00 H new ATOM 0 HA ILE A 99 0.212 3.950 1.221 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.357 2.579 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.265 3.753 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.729 2.178 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.596 4.466 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.945 4.866 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.591 5.425 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.291 1.957 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.677 1.359 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.221 2.959 -2.721 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.934 3.773 0.267 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.186 4.521 0.373 1.00 0.00 C ATOM 1531 C ARG A 100 -4.590 4.721 1.828 1.00 0.00 C ATOM 1532 O ARG A 100 -4.916 5.844 2.199 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.312 3.816 -0.392 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.999 3.734 -1.890 1.00 0.00 C ATOM 1535 CD ARG A 100 -6.209 3.321 -2.711 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.639 1.932 -2.469 1.00 0.00 N ATOM 1537 CZ ARG A 100 -6.450 0.897 -3.295 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -5.925 1.078 -4.502 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -6.764 -0.338 -2.920 1.00 0.00 N ATOM 0 H ARG A 100 -3.048 2.830 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.019 5.501 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.453 2.812 0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.248 4.353 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.641 4.703 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.192 3.019 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.037 3.993 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.978 3.442 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.125 1.743 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.661 2.014 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.786 0.280 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.154 -0.506 -1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.615 -1.119 -3.559 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.558 3.666 2.639 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.895 3.731 4.059 1.00 0.00 C ATOM 1555 C ASP A 101 -3.995 4.739 4.784 1.00 0.00 C ATOM 1556 O ASP A 101 -4.471 5.602 5.508 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.728 2.353 4.711 1.00 0.00 C ATOM 1558 CG ASP A 101 -5.718 2.095 5.843 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -5.620 2.776 6.886 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.447 1.075 5.792 1.00 0.00 O ATOM 0 H ASP A 101 -4.295 2.732 2.325 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.934 4.051 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.849 1.582 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.713 2.263 5.098 1.00 0.00 H new ATOM 1565 N MET A 102 -2.688 4.661 4.529 1.00 0.00 N ATOM 1566 CA MET A 102 -1.622 5.513 5.029 1.00 0.00 C ATOM 1567 C MET A 102 -1.871 6.976 4.651 1.00 0.00 C ATOM 1568 O MET A 102 -1.426 7.885 5.343 1.00 0.00 O ATOM 1569 CB MET A 102 -0.297 5.040 4.400 1.00 0.00 C ATOM 1570 CG MET A 102 0.096 3.589 4.752 1.00 0.00 C ATOM 1571 SD MET A 102 1.261 2.812 3.622 1.00 0.00 S ATOM 1572 CE MET A 102 2.809 3.276 4.370 1.00 0.00 C ATOM 0 H MET A 102 -2.323 3.935 3.913 1.00 0.00 H new ATOM 0 HA MET A 102 -1.583 5.445 6.116 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.371 5.130 3.316 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.502 5.708 4.722 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.525 3.579 5.754 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.809 2.983 4.787 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.628 3.025 3.696 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.813 4.349 4.562 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.934 2.739 5.310 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.547 7.212 3.525 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.915 8.522 3.021 1.00 0.00 C ATOM 1584 C ILE A 103 -4.170 8.971 3.763 1.00 0.00 C ATOM 1585 O ILE A 103 -4.176 10.089 4.261 1.00 0.00 O ATOM 1586 CB ILE A 103 -3.008 8.461 1.473 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.562 8.499 0.934 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.872 9.545 0.809 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -1.403 8.033 -0.513 1.00 0.00 C ATOM 0 H ILE A 103 -2.864 6.456 2.918 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.168 9.291 3.215 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.529 7.539 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.186 9.519 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.935 7.876 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.864 9.405 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.895 9.471 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.470 10.529 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.354 8.095 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.744 7.001 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.998 8.670 -1.168 1.00 0.00 H new ATOM 1601 N ALA A 104 -5.188 8.117 3.908 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.388 8.393 4.688 1.00 0.00 C ATOM 1603 C ALA A 104 -6.034 8.782 6.128 1.00 0.00 C ATOM 1604 O ALA A 104 -6.509 9.805 6.623 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.318 7.173 4.650 1.00 0.00 C ATOM 0 H ALA A 104 -5.196 7.194 3.474 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.909 9.243 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.215 7.381 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.598 6.961 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.803 6.310 5.071 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.155 8.009 6.771 1.00 0.00 N ATOM 1612 CA GLU A 105 -4.746 8.167 8.168 1.00 0.00 C ATOM 1613 C GLU A 105 -3.896 9.432 8.384 1.00 0.00 C ATOM 1614 O GLU A 105 -3.610 9.842 9.513 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.074 6.866 8.662 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.534 6.802 8.647 1.00 0.00 C ATOM 1617 CD GLU A 105 -1.985 5.507 9.265 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -1.843 4.476 8.569 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.652 5.495 10.480 1.00 0.00 O ATOM 0 H GLU A 105 -4.690 7.225 6.314 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.630 8.327 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.407 6.684 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.449 6.043 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.182 6.886 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.134 7.657 9.192 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.512 10.081 7.289 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.775 11.327 7.241 1.00 0.00 C ATOM 1628 C ALA A 106 -3.586 12.452 6.589 1.00 0.00 C ATOM 1629 O ALA A 106 -3.079 13.570 6.500 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.500 11.025 6.466 1.00 0.00 C ATOM 0 H ALA A 106 -3.723 9.724 6.357 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.552 11.688 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.896 11.929 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.934 10.251 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.756 10.679 5.465 1.00 0.00 H new ATOM 1636 N SER A 107 -4.806 12.166 6.127 1.00 0.00 N ATOM 1637 CA SER A 107 -5.630 13.093 5.351 1.00 0.00 C ATOM 1638 C SER A 107 -6.790 13.588 6.206 1.00 0.00 C ATOM 1639 O SER A 107 -7.083 14.788 6.173 1.00 0.00 O ATOM 1640 CB SER A 107 -6.103 12.417 4.050 1.00 0.00 C ATOM 1641 OG SER A 107 -6.884 13.256 3.212 1.00 0.00 O ATOM 0 H SER A 107 -5.257 11.265 6.286 1.00 0.00 H new ATOM 0 HA SER A 107 -5.041 13.964 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.231 12.075 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.686 11.532 4.304 1.00 0.00 H new ATOM 0 HG SER A 107 -6.317 13.634 2.508 1.00 0.00 H new