USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.258 X(o=-0.26,f=0.038) USER MOD Single : A 16 SER OG : rot -57:sc= 0.229 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -7.41! C(o=-7.4!,f=-7.6!) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.275 (180deg=-1.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.5!) USER MOD Single : A 46 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-6.8!) USER MOD Single : A 49 ASN : amide:sc= -0.116 X(o=-0.12,f=-7.3e-05) USER MOD Single : A 51 GLN : amide:sc= -0.667 K(o=-0.67,f=-4.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 60 GLN : amide:sc= -5.63! C(o=-5.6!,f=-6.8!) USER MOD Single : A 62 GLN : amide:sc= -5.62! C(o=-5.6!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.7!) USER MOD Single : A 74 THR OG1 : rot 158:sc= -0.505 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 1.666 -13.220 10.764 1.00 0.00 N ATOM 160 CA LEU A 14 1.562 -12.788 9.374 1.00 0.00 C ATOM 161 C LEU A 14 0.682 -11.549 9.253 1.00 0.00 C ATOM 162 O LEU A 14 1.055 -10.572 8.603 1.00 0.00 O ATOM 163 CB LEU A 14 0.996 -13.916 8.510 1.00 0.00 C ATOM 164 CG LEU A 14 1.962 -15.053 8.172 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.231 -16.183 7.464 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.111 -14.540 7.315 1.00 0.00 C ATOM 0 HA LEU A 14 2.562 -12.536 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.132 -14.340 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.633 -13.485 7.577 1.00 0.00 H new ATOM 0 HG LEU A 14 2.374 -15.442 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.935 -16.982 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.444 -16.569 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.790 -15.808 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.788 -15.362 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.716 -14.124 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.653 -13.766 7.858 1.00 0.00 H new ATOM 178 N ARG A 15 -0.486 -11.595 9.884 1.00 0.00 N ATOM 179 CA ARG A 15 -1.419 -10.475 9.849 1.00 0.00 C ATOM 180 C ARG A 15 -0.865 -9.281 10.621 1.00 0.00 C ATOM 181 O ARG A 15 -1.397 -8.174 10.536 1.00 0.00 O ATOM 182 CB ARG A 15 -2.771 -10.891 10.432 1.00 0.00 C ATOM 183 CG ARG A 15 -2.759 -11.048 11.944 1.00 0.00 C ATOM 184 CD ARG A 15 -4.169 -11.129 12.506 1.00 0.00 C ATOM 185 NE ARG A 15 -4.846 -12.361 12.110 1.00 0.00 N ATOM 186 CZ ARG A 15 -6.081 -12.674 12.486 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.770 -11.850 13.265 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.630 -13.813 12.084 1.00 0.00 N ATOM 0 H ARG A 15 -0.809 -12.396 10.426 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.555 -10.181 8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.520 -10.148 10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.078 -11.834 9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.206 -11.948 12.213 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.234 -10.205 12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.130 -11.071 13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.746 -10.271 12.161 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.343 -13.017 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.352 -10.974 13.577 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.718 -12.093 13.552 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.104 -14.450 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.578 -14.052 12.373 1.00 0.00 H new ATOM 202 N SER A 16 0.206 -9.514 11.372 1.00 0.00 N ATOM 203 CA SER A 16 0.830 -8.459 12.163 1.00 0.00 C ATOM 204 C SER A 16 2.052 -7.895 11.447 1.00 0.00 C ATOM 205 O SER A 16 3.005 -7.443 12.082 1.00 0.00 O ATOM 206 CB SER A 16 1.231 -8.994 13.539 1.00 0.00 C ATOM 207 OG SER A 16 1.504 -7.932 14.438 1.00 0.00 O ATOM 0 H SER A 16 0.660 -10.424 11.450 1.00 0.00 H new ATOM 0 HA SER A 16 0.104 -7.656 12.291 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.430 -9.616 13.938 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.111 -9.630 13.443 1.00 0.00 H new ATOM 0 HG SER A 16 2.206 -7.359 14.064 1.00 0.00 H new ATOM 213 N PHE A 17 2.018 -7.924 10.118 1.00 0.00 N ATOM 214 CA PHE A 17 3.124 -7.417 9.314 1.00 0.00 C ATOM 215 C PHE A 17 2.840 -5.998 8.832 1.00 0.00 C ATOM 216 O PHE A 17 1.850 -5.749 8.143 1.00 0.00 O ATOM 217 CB PHE A 17 3.373 -8.334 8.114 1.00 0.00 C ATOM 218 CG PHE A 17 4.079 -7.655 6.977 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.378 -6.855 6.088 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.443 -7.814 6.796 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.025 -6.230 5.039 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.096 -7.190 5.750 1.00 0.00 C ATOM 223 CZ PHE A 17 5.386 -6.396 4.870 1.00 0.00 C ATOM 0 H PHE A 17 1.237 -8.293 9.576 1.00 0.00 H new ATOM 0 HA PHE A 17 4.016 -7.398 9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.964 -9.191 8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.418 -8.721 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.314 -6.719 6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.003 -8.433 7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.467 -5.612 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.160 -7.323 5.621 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.894 -5.906 4.052 1.00 0.00 H new ATOM 233 N LYS A 18 3.714 -5.068 9.201 1.00 0.00 N ATOM 234 CA LYS A 18 3.559 -3.673 8.807 1.00 0.00 C ATOM 235 C LYS A 18 4.591 -3.287 7.752 1.00 0.00 C ATOM 236 O LYS A 18 5.797 -3.415 7.972 1.00 0.00 O ATOM 237 CB LYS A 18 3.696 -2.758 10.027 1.00 0.00 C ATOM 238 CG LYS A 18 3.378 -1.303 9.735 1.00 0.00 C ATOM 239 CD LYS A 18 3.403 -0.462 11.000 1.00 0.00 C ATOM 240 CE LYS A 18 2.083 -0.547 11.752 1.00 0.00 C ATOM 241 NZ LYS A 18 2.073 0.330 12.956 1.00 0.00 N ATOM 0 H LYS A 18 4.538 -5.255 9.773 1.00 0.00 H new ATOM 0 HA LYS A 18 2.564 -3.552 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.033 -3.115 10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.714 -2.829 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.100 -0.908 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.396 -1.231 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.214 -0.799 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.611 0.577 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.268 -0.261 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.902 -1.579 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.157 0.244 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.835 0.041 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.220 1.318 12.667 1.00 0.00 H new ATOM 255 N LEU A 19 4.112 -2.814 6.607 1.00 0.00 N ATOM 256 CA LEU A 19 4.994 -2.408 5.518 1.00 0.00 C ATOM 257 C LEU A 19 4.956 -0.896 5.321 1.00 0.00 C ATOM 258 O LEU A 19 3.902 -0.271 5.438 1.00 0.00 O ATOM 259 CB LEU A 19 4.592 -3.113 4.220 1.00 0.00 C ATOM 260 CG LEU A 19 5.189 -2.542 2.934 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.592 -3.086 2.710 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.296 -2.861 1.744 1.00 0.00 C ATOM 0 H LEU A 19 3.118 -2.702 6.408 1.00 0.00 H new ATOM 0 HA LEU A 19 6.012 -2.696 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.879 -4.162 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.506 -3.085 4.136 1.00 0.00 H new ATOM 0 HG LEU A 19 5.253 -1.459 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.001 -2.669 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.229 -2.807 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.552 -4.172 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.737 -2.447 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.201 -3.942 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.310 -2.423 1.901 1.00 0.00 H new ATOM 274 N SER A 20 6.112 -0.315 5.019 1.00 0.00 N ATOM 275 CA SER A 20 6.212 1.125 4.807 1.00 0.00 C ATOM 276 C SER A 20 6.787 1.433 3.428 1.00 0.00 C ATOM 277 O SER A 20 7.988 1.293 3.199 1.00 0.00 O ATOM 278 CB SER A 20 7.085 1.762 5.890 1.00 0.00 C ATOM 279 OG SER A 20 8.051 0.843 6.371 1.00 0.00 O ATOM 0 H SER A 20 6.993 -0.819 4.915 1.00 0.00 H new ATOM 0 HA SER A 20 5.208 1.546 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.585 2.643 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.458 2.101 6.715 1.00 0.00 H new ATOM 0 HG SER A 20 8.598 1.274 7.061 1.00 0.00 H new ATOM 285 N VAL A 21 5.919 1.851 2.511 1.00 0.00 N ATOM 286 CA VAL A 21 6.339 2.180 1.155 1.00 0.00 C ATOM 287 C VAL A 21 6.794 3.631 1.057 1.00 0.00 C ATOM 288 O VAL A 21 6.180 4.527 1.638 1.00 0.00 O ATOM 289 CB VAL A 21 5.203 1.939 0.142 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.739 1.978 -1.281 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.510 0.615 0.424 1.00 0.00 C ATOM 0 H VAL A 21 4.921 1.969 2.684 1.00 0.00 H new ATOM 0 HA VAL A 21 7.176 1.524 0.915 1.00 0.00 H new ATOM 0 HB VAL A 21 4.468 2.737 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.922 1.806 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.185 2.954 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.495 1.203 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.711 0.461 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.232 -0.198 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.090 0.631 1.430 1.00 0.00 H new ATOM 301 N THR A 22 7.875 3.858 0.317 1.00 0.00 N ATOM 302 CA THR A 22 8.413 5.202 0.143 1.00 0.00 C ATOM 303 C THR A 22 7.908 5.834 -1.149 1.00 0.00 C ATOM 304 O THR A 22 8.404 5.533 -2.234 1.00 0.00 O ATOM 305 CB THR A 22 9.953 5.192 0.127 1.00 0.00 C ATOM 306 OG1 THR A 22 10.448 4.316 1.146 1.00 0.00 O ATOM 307 CG2 THR A 22 10.506 6.592 0.344 1.00 0.00 C ATOM 0 H THR A 22 8.395 3.129 -0.171 1.00 0.00 H new ATOM 0 HA THR A 22 8.069 5.792 0.992 1.00 0.00 H new ATOM 0 HB THR A 22 10.281 4.836 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.428 4.314 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.595 6.559 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.151 7.250 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.168 6.971 1.308 1.00 0.00 H new ATOM 315 N VAL A 23 6.916 6.711 -1.025 1.00 0.00 N ATOM 316 CA VAL A 23 6.344 7.386 -2.183 1.00 0.00 C ATOM 317 C VAL A 23 5.954 8.821 -1.846 1.00 0.00 C ATOM 318 O VAL A 23 5.141 9.060 -0.953 1.00 0.00 O ATOM 319 CB VAL A 23 5.105 6.641 -2.713 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.400 7.466 -3.778 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.498 5.276 -3.258 1.00 0.00 C ATOM 0 H VAL A 23 6.492 6.970 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 23 7.113 7.393 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 23 4.411 6.491 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.527 6.923 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.084 8.418 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.083 7.650 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.611 4.763 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.211 5.401 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.954 4.685 -2.464 1.00 0.00 H new ATOM 331 N ASP A 24 6.539 9.773 -2.564 1.00 0.00 N ATOM 332 CA ASP A 24 6.252 11.185 -2.342 1.00 0.00 C ATOM 333 C ASP A 24 4.773 11.397 -2.037 1.00 0.00 C ATOM 334 O ASP A 24 3.900 10.707 -2.563 1.00 0.00 O ATOM 335 CB ASP A 24 6.655 12.008 -3.566 1.00 0.00 C ATOM 336 CG ASP A 24 8.122 11.844 -3.917 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.670 10.747 -3.680 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.721 12.813 -4.427 1.00 0.00 O ATOM 0 H ASP A 24 7.216 9.592 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 24 6.834 11.518 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.045 11.709 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.445 13.061 -3.378 1.00 0.00 H new ATOM 343 N PRO A 25 4.482 12.373 -1.165 1.00 0.00 N ATOM 344 CA PRO A 25 3.109 12.699 -0.769 1.00 0.00 C ATOM 345 C PRO A 25 2.315 13.341 -1.901 1.00 0.00 C ATOM 346 O PRO A 25 1.154 13.711 -1.728 1.00 0.00 O ATOM 347 CB PRO A 25 3.297 13.691 0.382 1.00 0.00 C ATOM 348 CG PRO A 25 4.630 14.308 0.136 1.00 0.00 C ATOM 349 CD PRO A 25 5.473 13.236 -0.498 1.00 0.00 C ATOM 0 HA PRO A 25 2.543 11.809 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.508 14.443 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.266 13.187 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.544 15.175 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.077 14.656 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.186 13.653 -1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.050 12.686 0.246 1.00 0.00 H new ATOM 357 N LYS A 26 2.949 13.469 -3.062 1.00 0.00 N ATOM 358 CA LYS A 26 2.303 14.066 -4.225 1.00 0.00 C ATOM 359 C LYS A 26 1.371 13.065 -4.902 1.00 0.00 C ATOM 360 O LYS A 26 0.271 13.417 -5.328 1.00 0.00 O ATOM 361 CB LYS A 26 3.354 14.555 -5.224 1.00 0.00 C ATOM 362 CG LYS A 26 3.769 13.501 -6.235 1.00 0.00 C ATOM 363 CD LYS A 26 4.726 14.068 -7.271 1.00 0.00 C ATOM 364 CE LYS A 26 6.174 13.923 -6.830 1.00 0.00 C ATOM 365 NZ LYS A 26 7.032 15.011 -7.377 1.00 0.00 N ATOM 0 H LYS A 26 3.910 13.167 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 26 1.711 14.916 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.962 15.422 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.236 14.889 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.243 12.667 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.884 13.105 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.581 13.555 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.499 15.121 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.225 13.933 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.559 12.957 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.011 14.877 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.004 14.986 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.681 15.931 -7.043 1.00 0.00 H new ATOM 379 N TYR A 27 1.817 11.817 -4.994 1.00 0.00 N ATOM 380 CA TYR A 27 1.023 10.766 -5.620 1.00 0.00 C ATOM 381 C TYR A 27 0.072 10.129 -4.612 1.00 0.00 C ATOM 382 O TYR A 27 -0.901 9.475 -4.987 1.00 0.00 O ATOM 383 CB TYR A 27 1.936 9.698 -6.222 1.00 0.00 C ATOM 384 CG TYR A 27 2.955 10.249 -7.195 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.574 11.114 -8.214 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.298 9.907 -7.094 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.500 11.620 -9.105 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.231 10.409 -7.980 1.00 0.00 C ATOM 389 CZ TYR A 27 4.828 11.265 -8.983 1.00 0.00 C ATOM 390 OH TYR A 27 5.753 11.767 -9.869 1.00 0.00 O ATOM 0 H TYR A 27 2.724 11.508 -4.643 1.00 0.00 H new ATOM 0 HA TYR A 27 0.431 11.218 -6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.458 9.182 -5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.324 8.955 -6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.536 11.395 -8.311 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.618 9.237 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.187 12.289 -9.892 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.271 10.132 -7.888 1.00 0.00 H new ATOM 0 HH TYR A 27 6.642 11.421 -9.645 1.00 0.00 H new ATOM 400 N HIS A 28 0.361 10.325 -3.330 1.00 0.00 N ATOM 401 CA HIS A 28 -0.468 9.772 -2.264 1.00 0.00 C ATOM 402 C HIS A 28 -1.949 9.991 -2.560 1.00 0.00 C ATOM 403 O HIS A 28 -2.731 9.047 -2.673 1.00 0.00 O ATOM 404 CB HIS A 28 -0.103 10.406 -0.923 1.00 0.00 C ATOM 405 CG HIS A 28 0.908 9.624 -0.145 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.074 9.752 1.218 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.810 8.696 -0.545 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.035 8.940 1.622 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.497 8.287 0.571 1.00 0.00 N ATOM 0 H HIS A 28 1.164 10.863 -3.003 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.281 8.699 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.284 11.410 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.007 10.513 -0.323 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.538 10.377 1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.961 8.343 -1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.383 8.829 2.638 1.00 0.00 H new ATOM 417 N PRO A 29 -2.345 11.267 -2.685 1.00 0.00 N ATOM 418 CA PRO A 29 -3.734 11.639 -2.967 1.00 0.00 C ATOM 419 C PRO A 29 -4.158 11.266 -4.384 1.00 0.00 C ATOM 420 O PRO A 29 -5.327 11.396 -4.748 1.00 0.00 O ATOM 421 CB PRO A 29 -3.736 13.160 -2.792 1.00 0.00 C ATOM 422 CG PRO A 29 -2.328 13.573 -3.052 1.00 0.00 C ATOM 423 CD PRO A 29 -1.468 12.443 -2.560 1.00 0.00 C ATOM 0 HA PRO A 29 -4.436 11.120 -2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.424 13.638 -3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.053 13.443 -1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.164 13.754 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.090 14.500 -2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.564 12.336 -3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.150 12.599 -1.529 1.00 0.00 H new ATOM 431 N LYS A 30 -3.201 10.803 -5.180 1.00 0.00 N ATOM 432 CA LYS A 30 -3.474 10.409 -6.557 1.00 0.00 C ATOM 433 C LYS A 30 -3.777 8.916 -6.646 1.00 0.00 C ATOM 434 O LYS A 30 -4.451 8.464 -7.572 1.00 0.00 O ATOM 435 CB LYS A 30 -2.283 10.752 -7.453 1.00 0.00 C ATOM 436 CG LYS A 30 -1.978 12.240 -7.516 1.00 0.00 C ATOM 437 CD LYS A 30 -2.704 12.910 -8.670 1.00 0.00 C ATOM 438 CE LYS A 30 -4.058 13.450 -8.237 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.936 14.409 -7.105 1.00 0.00 N ATOM 0 H LYS A 30 -2.228 10.691 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.349 10.961 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.401 10.224 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.480 10.387 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.270 12.712 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.904 12.388 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.094 13.724 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.839 12.195 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.539 13.944 -9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.702 12.621 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.694 15.118 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.016 13.895 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.012 14.885 -7.151 1.00 0.00 H new ATOM 453 N ILE A 31 -3.276 8.157 -5.677 1.00 0.00 N ATOM 454 CA ILE A 31 -3.496 6.717 -5.646 1.00 0.00 C ATOM 455 C ILE A 31 -4.812 6.376 -4.958 1.00 0.00 C ATOM 456 O ILE A 31 -5.526 5.464 -5.377 1.00 0.00 O ATOM 457 CB ILE A 31 -2.347 5.988 -4.922 1.00 0.00 C ATOM 458 CG1 ILE A 31 -0.998 6.401 -5.514 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.535 4.481 -5.015 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.142 6.337 -4.522 1.00 0.00 C ATOM 0 H ILE A 31 -2.716 8.515 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.534 6.381 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.362 6.272 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.769 5.754 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.076 7.417 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.716 3.980 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.481 4.203 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.543 4.179 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.067 6.643 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.065 7.005 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.247 5.317 -4.153 1.00 0.00 H new ATOM 472 N ILE A 32 -5.129 7.115 -3.900 1.00 0.00 N ATOM 473 CA ILE A 32 -6.363 6.894 -3.156 1.00 0.00 C ATOM 474 C ILE A 32 -7.573 6.897 -4.084 1.00 0.00 C ATOM 475 O ILE A 32 -8.460 6.053 -3.968 1.00 0.00 O ATOM 476 CB ILE A 32 -6.563 7.964 -2.066 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.377 7.965 -1.099 1.00 0.00 C ATOM 478 CG2 ILE A 32 -7.864 7.720 -1.317 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.360 9.157 -0.166 1.00 0.00 C ATOM 0 H ILE A 32 -4.548 7.872 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.274 5.916 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.620 8.942 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.401 7.050 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.450 7.949 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.991 8.484 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.700 7.764 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.835 6.737 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.493 9.092 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.305 10.076 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.270 9.162 0.434 1.00 0.00 H new ATOM 491 N GLY A 33 -7.602 7.854 -5.007 1.00 0.00 N ATOM 492 CA GLY A 33 -8.707 7.948 -5.943 1.00 0.00 C ATOM 493 C GLY A 33 -9.526 9.209 -5.748 1.00 0.00 C ATOM 494 O GLY A 33 -9.401 9.887 -4.727 1.00 0.00 O ATOM 0 H GLY A 33 -6.880 8.565 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.320 7.924 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.353 7.077 -5.827 1.00 0.00 H new ATOM 498 N ARG A 34 -10.364 9.526 -6.730 1.00 0.00 N ATOM 499 CA ARG A 34 -11.205 10.716 -6.662 1.00 0.00 C ATOM 500 C ARG A 34 -12.312 10.541 -5.627 1.00 0.00 C ATOM 501 O ARG A 34 -12.624 11.464 -4.874 1.00 0.00 O ATOM 502 CB ARG A 34 -11.815 11.013 -8.033 1.00 0.00 C ATOM 503 CG ARG A 34 -12.876 12.101 -8.004 1.00 0.00 C ATOM 504 CD ARG A 34 -13.191 12.609 -9.402 1.00 0.00 C ATOM 505 NE ARG A 34 -13.981 11.649 -10.168 1.00 0.00 N ATOM 506 CZ ARG A 34 -14.406 11.869 -11.407 1.00 0.00 C ATOM 507 NH1 ARG A 34 -14.118 13.010 -12.017 1.00 0.00 N ATOM 508 NH2 ARG A 34 -15.121 10.946 -12.038 1.00 0.00 N ATOM 0 H ARG A 34 -10.479 8.976 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.580 11.556 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.021 11.310 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.255 10.099 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.784 11.713 -7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.533 12.929 -7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.734 13.551 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.261 12.816 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.220 10.761 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.569 13.722 -11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.446 13.176 -12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.345 10.067 -11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.447 11.116 -12.989 1.00 0.00 H new ATOM 522 N LYS A 35 -12.903 9.352 -5.596 1.00 0.00 N ATOM 523 CA LYS A 35 -13.976 9.055 -4.654 1.00 0.00 C ATOM 524 C LYS A 35 -13.484 8.134 -3.541 1.00 0.00 C ATOM 525 O LYS A 35 -14.042 8.115 -2.446 1.00 0.00 O ATOM 526 CB LYS A 35 -15.157 8.406 -5.381 1.00 0.00 C ATOM 527 CG LYS A 35 -16.218 7.854 -4.445 1.00 0.00 C ATOM 528 CD LYS A 35 -17.000 8.968 -3.770 1.00 0.00 C ATOM 529 CE LYS A 35 -18.148 9.451 -4.644 1.00 0.00 C ATOM 530 NZ LYS A 35 -19.332 8.551 -4.552 1.00 0.00 N ATOM 0 H LYS A 35 -12.657 8.578 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.303 9.994 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.615 9.142 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.785 7.599 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.902 7.216 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.746 7.229 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.391 8.613 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.333 9.801 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.434 10.459 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.816 9.509 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.092 8.914 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.066 7.595 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.665 8.515 -3.567 1.00 0.00 H new ATOM 544 N GLY A 36 -12.432 7.373 -3.831 1.00 0.00 N ATOM 545 CA GLY A 36 -11.881 6.463 -2.844 1.00 0.00 C ATOM 546 C GLY A 36 -12.198 5.013 -3.151 1.00 0.00 C ATOM 547 O GLY A 36 -11.993 4.134 -2.315 1.00 0.00 O ATOM 0 H GLY A 36 -11.952 7.371 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.800 6.593 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.275 6.717 -1.860 1.00 0.00 H new ATOM 551 N ALA A 37 -12.704 4.762 -4.356 1.00 0.00 N ATOM 552 CA ALA A 37 -13.050 3.409 -4.772 1.00 0.00 C ATOM 553 C ALA A 37 -11.845 2.696 -5.377 1.00 0.00 C ATOM 554 O ALA A 37 -11.833 1.470 -5.497 1.00 0.00 O ATOM 555 CB ALA A 37 -14.201 3.441 -5.766 1.00 0.00 C ATOM 0 H ALA A 37 -12.883 5.478 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.363 2.852 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.449 2.424 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.071 3.904 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.909 4.019 -6.643 1.00 0.00 H new ATOM 561 N VAL A 38 -10.835 3.470 -5.758 1.00 0.00 N ATOM 562 CA VAL A 38 -9.625 2.911 -6.351 1.00 0.00 C ATOM 563 C VAL A 38 -8.843 2.091 -5.333 1.00 0.00 C ATOM 564 O VAL A 38 -8.792 0.863 -5.418 1.00 0.00 O ATOM 565 CB VAL A 38 -8.713 4.018 -6.912 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.477 3.414 -7.561 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.475 4.886 -7.902 1.00 0.00 C ATOM 0 H VAL A 38 -10.830 4.486 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.942 2.263 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.388 4.650 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.845 4.211 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.921 2.840 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.779 2.757 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.815 5.663 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.831 4.270 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.325 5.349 -7.401 1.00 0.00 H new ATOM 577 N ILE A 39 -8.235 2.775 -4.370 1.00 0.00 N ATOM 578 CA ILE A 39 -7.456 2.108 -3.334 1.00 0.00 C ATOM 579 C ILE A 39 -8.237 0.954 -2.716 1.00 0.00 C ATOM 580 O ILE A 39 -7.666 -0.075 -2.353 1.00 0.00 O ATOM 581 CB ILE A 39 -7.045 3.089 -2.220 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.058 2.420 -1.261 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.272 3.581 -1.467 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.641 2.374 -1.788 1.00 0.00 C ATOM 0 H ILE A 39 -8.267 3.791 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.558 1.720 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.554 3.949 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.067 2.955 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.394 1.403 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.965 4.273 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.943 4.091 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.789 2.732 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.996 1.887 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.618 1.813 -2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.286 3.389 -1.965 1.00 0.00 H new ATOM 596 N THR A 40 -9.550 1.130 -2.599 1.00 0.00 N ATOM 597 CA THR A 40 -10.412 0.104 -2.026 1.00 0.00 C ATOM 598 C THR A 40 -10.278 -1.212 -2.783 1.00 0.00 C ATOM 599 O THR A 40 -10.158 -2.277 -2.178 1.00 0.00 O ATOM 600 CB THR A 40 -11.889 0.541 -2.035 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.036 1.786 -1.345 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.769 -0.514 -1.381 1.00 0.00 C ATOM 0 H THR A 40 -10.040 1.975 -2.894 1.00 0.00 H new ATOM 0 HA THR A 40 -10.090 -0.039 -0.994 1.00 0.00 H new ATOM 0 HB THR A 40 -12.203 0.662 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.725 2.517 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.808 -0.184 -1.399 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.678 -1.453 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.453 -0.662 -0.348 1.00 0.00 H new ATOM 610 N GLN A 41 -10.298 -1.131 -4.110 1.00 0.00 N ATOM 611 CA GLN A 41 -10.178 -2.317 -4.949 1.00 0.00 C ATOM 612 C GLN A 41 -8.861 -3.040 -4.686 1.00 0.00 C ATOM 613 O GLN A 41 -8.842 -4.246 -4.439 1.00 0.00 O ATOM 614 CB GLN A 41 -10.278 -1.934 -6.426 1.00 0.00 C ATOM 615 CG GLN A 41 -10.203 -3.124 -7.370 1.00 0.00 C ATOM 616 CD GLN A 41 -8.776 -3.534 -7.679 1.00 0.00 C ATOM 617 OE1 GLN A 41 -7.878 -2.694 -7.751 1.00 0.00 O ATOM 618 NE2 GLN A 41 -8.559 -4.830 -7.865 1.00 0.00 N ATOM 0 H GLN A 41 -10.396 -0.257 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.997 -2.992 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.217 -1.407 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.475 -1.238 -6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.732 -3.968 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.716 -2.878 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.332 -5.492 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.619 -5.164 -8.077 1.00 0.00 H new ATOM 627 N ILE A 42 -7.763 -2.296 -4.741 1.00 0.00 N ATOM 628 CA ILE A 42 -6.442 -2.866 -4.509 1.00 0.00 C ATOM 629 C ILE A 42 -6.374 -3.561 -3.154 1.00 0.00 C ATOM 630 O ILE A 42 -5.738 -4.605 -3.011 1.00 0.00 O ATOM 631 CB ILE A 42 -5.343 -1.787 -4.574 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.351 -1.104 -5.943 1.00 0.00 C ATOM 633 CG2 ILE A 42 -3.981 -2.401 -4.290 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.642 0.233 -5.954 1.00 0.00 C ATOM 0 H ILE A 42 -7.761 -1.296 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.271 -3.596 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.546 -1.035 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.879 -1.763 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.383 -0.962 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.215 -1.627 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.983 -2.846 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.767 -3.171 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.686 0.660 -6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.128 0.908 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.600 0.095 -5.664 1.00 0.00 H new ATOM 646 N ARG A 43 -7.038 -2.978 -2.161 1.00 0.00 N ATOM 647 CA ARG A 43 -7.054 -3.542 -0.817 1.00 0.00 C ATOM 648 C ARG A 43 -7.667 -4.940 -0.822 1.00 0.00 C ATOM 649 O ARG A 43 -7.070 -5.893 -0.319 1.00 0.00 O ATOM 650 CB ARG A 43 -7.838 -2.634 0.131 1.00 0.00 C ATOM 651 CG ARG A 43 -7.122 -1.334 0.460 1.00 0.00 C ATOM 652 CD ARG A 43 -8.036 -0.364 1.193 1.00 0.00 C ATOM 653 NE ARG A 43 -7.412 0.943 1.379 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.092 2.051 1.646 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.412 2.012 1.759 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.452 3.203 1.802 1.00 0.00 N ATOM 0 H ARG A 43 -7.572 -2.115 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.024 -3.616 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.805 -2.403 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.036 -3.174 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.246 -1.545 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.763 -0.872 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.963 -0.246 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.301 -0.780 2.165 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.397 1.008 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.908 1.129 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.932 2.865 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.436 3.238 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.976 4.054 2.007 1.00 0.00 H new ATOM 670 N LEU A 44 -8.862 -5.054 -1.392 1.00 0.00 N ATOM 671 CA LEU A 44 -9.556 -6.336 -1.463 1.00 0.00 C ATOM 672 C LEU A 44 -8.810 -7.310 -2.369 1.00 0.00 C ATOM 673 O LEU A 44 -8.706 -8.498 -2.065 1.00 0.00 O ATOM 674 CB LEU A 44 -10.983 -6.136 -1.974 1.00 0.00 C ATOM 675 CG LEU A 44 -11.963 -5.487 -0.996 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.187 -4.966 -1.733 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.370 -6.474 0.087 1.00 0.00 C ATOM 0 H LEU A 44 -9.370 -4.275 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.592 -6.759 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.942 -5.524 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.382 -7.107 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.464 -4.643 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.873 -4.508 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.880 -4.224 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.687 -5.793 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.068 -5.994 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.849 -7.339 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.485 -6.797 0.636 1.00 0.00 H new ATOM 689 N GLU A 45 -8.292 -6.798 -3.481 1.00 0.00 N ATOM 690 CA GLU A 45 -7.555 -7.625 -4.429 1.00 0.00 C ATOM 691 C GLU A 45 -6.525 -8.492 -3.711 1.00 0.00 C ATOM 692 O GLU A 45 -6.549 -9.718 -3.812 1.00 0.00 O ATOM 693 CB GLU A 45 -6.860 -6.746 -5.472 1.00 0.00 C ATOM 694 CG GLU A 45 -6.189 -7.536 -6.583 1.00 0.00 C ATOM 695 CD GLU A 45 -7.184 -8.125 -7.564 1.00 0.00 C ATOM 696 OE1 GLU A 45 -7.625 -7.393 -8.474 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.522 -9.319 -7.420 1.00 0.00 O ATOM 0 H GLU A 45 -8.369 -5.816 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.267 -8.280 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.593 -6.069 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.113 -6.128 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.497 -6.886 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.597 -8.340 -6.145 1.00 0.00 H new ATOM 704 N HIS A 46 -5.619 -7.844 -2.984 1.00 0.00 N ATOM 705 CA HIS A 46 -4.579 -8.554 -2.248 1.00 0.00 C ATOM 706 C HIS A 46 -5.033 -8.857 -0.824 1.00 0.00 C ATOM 707 O HIS A 46 -4.302 -9.470 -0.046 1.00 0.00 O ATOM 708 CB HIS A 46 -3.291 -7.732 -2.222 1.00 0.00 C ATOM 709 CG HIS A 46 -2.747 -7.427 -3.583 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.068 -8.353 -4.348 1.00 0.00 N ATOM 711 CD2 HIS A 46 -2.786 -6.291 -4.319 1.00 0.00 C ATOM 712 CE1 HIS A 46 -1.712 -7.799 -5.493 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.136 -6.548 -5.500 1.00 0.00 N ATOM 0 H HIS A 46 -5.585 -6.829 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.387 -9.498 -2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.478 -6.796 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.536 -8.273 -1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.244 -5.356 -4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.167 -8.286 -6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.002 -5.881 -6.260 1.00 0.00 H new ATOM 721 N ASP A 47 -6.243 -8.422 -0.488 1.00 0.00 N ATOM 722 CA ASP A 47 -6.794 -8.646 0.843 1.00 0.00 C ATOM 723 C ASP A 47 -5.869 -8.081 1.917 1.00 0.00 C ATOM 724 O ASP A 47 -5.457 -8.790 2.834 1.00 0.00 O ATOM 725 CB ASP A 47 -7.017 -10.141 1.081 1.00 0.00 C ATOM 726 CG ASP A 47 -7.968 -10.752 0.071 1.00 0.00 C ATOM 727 OD1 ASP A 47 -7.497 -11.183 -1.002 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.184 -10.799 0.353 1.00 0.00 O ATOM 0 H ASP A 47 -6.861 -7.912 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.751 -8.129 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.060 -10.660 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.413 -10.291 2.085 1.00 0.00 H new ATOM 733 N VAL A 48 -5.547 -6.797 1.796 1.00 0.00 N ATOM 734 CA VAL A 48 -4.671 -6.134 2.755 1.00 0.00 C ATOM 735 C VAL A 48 -5.199 -4.751 3.117 1.00 0.00 C ATOM 736 O VAL A 48 -6.056 -4.203 2.427 1.00 0.00 O ATOM 737 CB VAL A 48 -3.238 -5.998 2.206 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.533 -7.346 2.214 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.259 -5.407 0.805 1.00 0.00 C ATOM 0 H VAL A 48 -5.880 -6.195 1.043 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.651 -6.757 3.649 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.682 -5.320 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.522 -7.230 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.486 -7.726 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.085 -8.049 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.239 -5.318 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.831 -6.058 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.722 -4.421 0.833 1.00 0.00 H new ATOM 749 N ASN A 49 -4.678 -4.191 4.205 1.00 0.00 N ATOM 750 CA ASN A 49 -5.097 -2.870 4.659 1.00 0.00 C ATOM 751 C ASN A 49 -4.092 -1.805 4.233 1.00 0.00 C ATOM 752 O ASN A 49 -2.923 -1.851 4.617 1.00 0.00 O ATOM 753 CB ASN A 49 -5.256 -2.858 6.181 1.00 0.00 C ATOM 754 CG ASN A 49 -6.106 -1.699 6.665 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.662 -0.884 7.473 1.00 0.00 O ATOM 756 ND2 ASN A 49 -7.336 -1.620 6.169 1.00 0.00 N ATOM 0 H ASN A 49 -3.966 -4.631 4.788 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.058 -2.642 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.708 -3.796 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.272 -2.802 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.954 -0.861 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.662 -2.318 5.501 1.00 0.00 H new ATOM 763 N ILE A 50 -4.556 -0.846 3.438 1.00 0.00 N ATOM 764 CA ILE A 50 -3.698 0.232 2.962 1.00 0.00 C ATOM 765 C ILE A 50 -4.179 1.585 3.474 1.00 0.00 C ATOM 766 O ILE A 50 -5.377 1.866 3.485 1.00 0.00 O ATOM 767 CB ILE A 50 -3.643 0.269 1.423 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.046 -1.030 0.881 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.834 1.468 0.951 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.398 -1.301 -0.565 1.00 0.00 C ATOM 0 H ILE A 50 -5.521 -0.794 3.110 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.699 0.034 3.349 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.659 0.367 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.961 -0.991 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.393 -1.863 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.804 1.481 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.299 2.385 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.819 1.398 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.940 -2.238 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.481 -1.373 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.027 -0.488 -1.188 1.00 0.00 H new ATOM 782 N GLN A 51 -3.236 2.420 3.900 1.00 0.00 N ATOM 783 CA GLN A 51 -3.564 3.744 4.413 1.00 0.00 C ATOM 784 C GLN A 51 -2.435 4.731 4.136 1.00 0.00 C ATOM 785 O GLN A 51 -1.287 4.335 3.932 1.00 0.00 O ATOM 786 CB GLN A 51 -3.843 3.678 5.915 1.00 0.00 C ATOM 787 CG GLN A 51 -5.289 3.359 6.253 1.00 0.00 C ATOM 788 CD GLN A 51 -6.230 4.503 5.930 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.900 5.390 5.143 1.00 0.00 O ATOM 790 NE2 GLN A 51 -7.411 4.489 6.537 1.00 0.00 N ATOM 0 H GLN A 51 -2.239 2.202 3.900 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.460 4.092 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.199 2.921 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.575 4.633 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.600 2.471 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.366 3.119 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.644 3.734 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.085 5.233 6.358 1.00 0.00 H new ATOM 799 N PHE A 52 -2.767 6.018 4.131 1.00 0.00 N ATOM 800 CA PHE A 52 -1.780 7.061 3.878 1.00 0.00 C ATOM 801 C PHE A 52 -1.688 8.021 5.061 1.00 0.00 C ATOM 802 O PHE A 52 -2.641 8.209 5.816 1.00 0.00 O ATOM 803 CB PHE A 52 -2.138 7.835 2.607 1.00 0.00 C ATOM 804 CG PHE A 52 -2.271 6.962 1.392 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.458 6.296 1.127 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.210 6.807 0.515 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.582 5.491 0.011 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.329 6.004 -0.604 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.517 5.346 -0.856 1.00 0.00 C ATOM 0 H PHE A 52 -3.712 6.363 4.299 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.810 6.583 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.076 8.367 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.372 8.588 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.295 6.408 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.279 7.319 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.511 4.976 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.494 5.891 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.613 4.719 -1.730 1.00 0.00 H new ATOM 819 N PRO A 53 -0.510 8.642 5.228 1.00 0.00 N ATOM 820 CA PRO A 53 -0.264 9.592 6.317 1.00 0.00 C ATOM 821 C PRO A 53 -1.037 10.895 6.136 1.00 0.00 C ATOM 822 O PRO A 53 -1.505 11.201 5.040 1.00 0.00 O ATOM 823 CB PRO A 53 1.243 9.847 6.230 1.00 0.00 C ATOM 824 CG PRO A 53 1.594 9.566 4.809 1.00 0.00 C ATOM 825 CD PRO A 53 0.670 8.465 4.366 1.00 0.00 C ATOM 0 HA PRO A 53 -0.589 9.201 7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.487 10.874 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.794 9.197 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.466 10.455 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.637 9.262 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.414 8.556 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.122 7.482 4.501 1.00 0.00 H new ATOM 833 N ASP A 54 -1.166 11.655 7.217 1.00 0.00 N ATOM 834 CA ASP A 54 -1.880 12.925 7.177 1.00 0.00 C ATOM 835 C ASP A 54 -0.908 14.099 7.244 1.00 0.00 C ATOM 836 O ASP A 54 -0.013 14.131 8.091 1.00 0.00 O ATOM 837 CB ASP A 54 -2.880 13.009 8.332 1.00 0.00 C ATOM 838 CG ASP A 54 -3.900 14.114 8.136 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.564 15.120 7.478 1.00 0.00 O ATOM 840 OD2 ASP A 54 -5.033 13.972 8.642 1.00 0.00 O ATOM 0 H ASP A 54 -0.785 11.414 8.132 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.421 12.979 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.397 12.055 8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.341 13.178 9.264 1.00 0.00 H new ATOM 845 N LYS A 55 -1.087 15.061 6.347 1.00 0.00 N ATOM 846 CA LYS A 55 -0.226 16.237 6.303 1.00 0.00 C ATOM 847 C LYS A 55 -0.508 17.162 7.483 1.00 0.00 C ATOM 848 O LYS A 55 0.377 17.884 7.943 1.00 0.00 O ATOM 849 CB LYS A 55 -0.430 16.995 4.989 1.00 0.00 C ATOM 850 CG LYS A 55 -1.814 17.604 4.845 1.00 0.00 C ATOM 851 CD LYS A 55 -2.191 17.794 3.385 1.00 0.00 C ATOM 852 CE LYS A 55 -3.235 18.887 3.218 1.00 0.00 C ATOM 853 NZ LYS A 55 -3.627 19.066 1.792 1.00 0.00 N ATOM 0 H LYS A 55 -1.821 15.050 5.639 1.00 0.00 H new ATOM 0 HA LYS A 55 0.809 15.901 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.315 17.787 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.253 16.315 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.548 16.961 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.845 18.565 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.302 18.048 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.576 16.857 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.117 18.640 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.843 19.826 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.340 19.820 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.790 19.326 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.025 18.177 1.427 1.00 0.00 H new ATOM 867 N ASP A 56 -1.743 17.132 7.970 1.00 0.00 N ATOM 868 CA ASP A 56 -2.141 17.966 9.099 1.00 0.00 C ATOM 869 C ASP A 56 -1.224 17.732 10.296 1.00 0.00 C ATOM 870 O ASP A 56 -0.873 18.669 11.014 1.00 0.00 O ATOM 871 CB ASP A 56 -3.591 17.679 9.488 1.00 0.00 C ATOM 872 CG ASP A 56 -4.080 18.576 10.608 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.765 19.785 10.578 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.777 18.071 11.511 1.00 0.00 O ATOM 0 H ASP A 56 -2.487 16.539 7.601 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.055 19.010 8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.231 17.811 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.682 16.637 9.795 1.00 0.00 H new ATOM 879 N ASP A 57 -0.841 16.477 10.505 1.00 0.00 N ATOM 880 CA ASP A 57 0.035 16.119 11.615 1.00 0.00 C ATOM 881 C ASP A 57 1.416 16.742 11.439 1.00 0.00 C ATOM 882 O ASP A 57 1.810 17.627 12.197 1.00 0.00 O ATOM 883 CB ASP A 57 0.157 14.599 11.727 1.00 0.00 C ATOM 884 CG ASP A 57 0.490 14.147 13.134 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.652 14.326 13.556 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.411 13.615 13.816 1.00 0.00 O ATOM 0 H ASP A 57 -1.123 15.690 9.920 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.405 16.508 12.533 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.779 14.138 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.930 14.248 11.043 1.00 0.00 H new ATOM 891 N GLY A 58 2.149 16.271 10.434 1.00 0.00 N ATOM 892 CA GLY A 58 3.479 16.791 10.179 1.00 0.00 C ATOM 893 C GLY A 58 4.570 15.872 10.691 1.00 0.00 C ATOM 894 O GLY A 58 5.257 15.217 9.908 1.00 0.00 O ATOM 0 H GLY A 58 1.845 15.539 9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.608 16.940 9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.580 17.768 10.651 1.00 0.00 H new ATOM 898 N ASN A 59 4.731 15.824 12.009 1.00 0.00 N ATOM 899 CA ASN A 59 5.749 14.980 12.625 1.00 0.00 C ATOM 900 C ASN A 59 5.852 13.640 11.903 1.00 0.00 C ATOM 901 O ASN A 59 6.949 13.126 11.682 1.00 0.00 O ATOM 902 CB ASN A 59 5.426 14.753 14.103 1.00 0.00 C ATOM 903 CG ASN A 59 5.968 15.857 14.990 1.00 0.00 C ATOM 904 OD1 ASN A 59 5.540 17.087 14.730 1.00 0.00 O flip ATOM 905 ND2 ASN A 59 6.761 15.608 15.896 1.00 0.00 N flip ATOM 0 H ASN A 59 4.170 16.359 12.671 1.00 0.00 H new ATOM 0 HA ASN A 59 6.708 15.491 12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.345 14.687 14.230 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.844 13.798 14.421 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.063 14.648 16.060 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.117 16.362 16.484 1.00 0.00 H new ATOM 912 N GLN A 60 4.704 13.080 11.538 1.00 0.00 N ATOM 913 CA GLN A 60 4.666 11.799 10.842 1.00 0.00 C ATOM 914 C GLN A 60 5.043 11.966 9.374 1.00 0.00 C ATOM 915 O GLN A 60 4.852 13.024 8.775 1.00 0.00 O ATOM 916 CB GLN A 60 3.274 11.174 10.954 1.00 0.00 C ATOM 917 CG GLN A 60 2.173 12.027 10.344 1.00 0.00 C ATOM 918 CD GLN A 60 0.827 11.802 11.005 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.749 11.313 12.132 1.00 0.00 O ATOM 920 NE2 GLN A 60 -0.243 12.158 10.304 1.00 0.00 N ATOM 0 H GLN A 60 3.788 13.493 11.712 1.00 0.00 H new ATOM 0 HA GLN A 60 5.393 11.137 11.313 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.282 10.200 10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.047 11.000 12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.444 13.079 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.093 11.804 9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.132 12.560 9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.176 12.030 10.696 1.00 0.00 H new ATOM 929 N PRO A 61 5.595 10.897 8.779 1.00 0.00 N ATOM 930 CA PRO A 61 6.011 10.902 7.373 1.00 0.00 C ATOM 931 C PRO A 61 4.825 10.944 6.417 1.00 0.00 C ATOM 932 O PRO A 61 3.915 10.121 6.507 1.00 0.00 O ATOM 933 CB PRO A 61 6.771 9.581 7.225 1.00 0.00 C ATOM 934 CG PRO A 61 6.208 8.699 8.285 1.00 0.00 C ATOM 935 CD PRO A 61 5.854 9.604 9.433 1.00 0.00 C ATOM 0 HA PRO A 61 6.605 11.782 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.627 9.150 6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.843 9.724 7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.329 8.166 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.934 7.946 8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.978 9.244 9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.667 9.674 10.155 1.00 0.00 H new ATOM 943 N GLN A 62 4.841 11.909 5.504 1.00 0.00 N ATOM 944 CA GLN A 62 3.765 12.058 4.531 1.00 0.00 C ATOM 945 C GLN A 62 4.085 11.304 3.244 1.00 0.00 C ATOM 946 O GLN A 62 3.240 11.181 2.358 1.00 0.00 O ATOM 947 CB GLN A 62 3.528 13.538 4.223 1.00 0.00 C ATOM 948 CG GLN A 62 3.217 14.373 5.455 1.00 0.00 C ATOM 949 CD GLN A 62 2.195 13.716 6.362 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.220 13.127 5.894 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.413 13.815 7.668 1.00 0.00 N ATOM 0 H GLN A 62 5.587 12.599 5.417 1.00 0.00 H new ATOM 0 HA GLN A 62 2.858 11.634 4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.412 13.945 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.703 13.626 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.137 14.545 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.846 15.350 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.234 14.313 8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.759 13.393 8.328 1.00 0.00 H new ATOM 960 N ASP A 63 5.312 10.802 3.148 1.00 0.00 N ATOM 961 CA ASP A 63 5.745 10.060 1.970 1.00 0.00 C ATOM 962 C ASP A 63 5.779 8.562 2.255 1.00 0.00 C ATOM 963 O ASP A 63 5.998 7.755 1.352 1.00 0.00 O ATOM 964 CB ASP A 63 7.125 10.538 1.519 1.00 0.00 C ATOM 965 CG ASP A 63 8.251 9.792 2.209 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.397 9.944 3.440 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.984 9.053 1.518 1.00 0.00 O ATOM 0 H ASP A 63 6.024 10.896 3.872 1.00 0.00 H new ATOM 0 HA ASP A 63 5.027 10.243 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.216 10.410 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.221 11.604 1.723 1.00 0.00 H new ATOM 972 N GLN A 64 5.562 8.198 3.515 1.00 0.00 N ATOM 973 CA GLN A 64 5.569 6.797 3.917 1.00 0.00 C ATOM 974 C GLN A 64 4.152 6.235 3.961 1.00 0.00 C ATOM 975 O GLN A 64 3.268 6.803 4.604 1.00 0.00 O ATOM 976 CB GLN A 64 6.235 6.642 5.286 1.00 0.00 C ATOM 977 CG GLN A 64 7.717 6.979 5.283 1.00 0.00 C ATOM 978 CD GLN A 64 8.589 5.780 4.966 1.00 0.00 C ATOM 979 OE1 GLN A 64 9.145 5.147 5.864 1.00 0.00 O ATOM 980 NE2 GLN A 64 8.711 5.459 3.683 1.00 0.00 N ATOM 0 H GLN A 64 5.379 8.854 4.274 1.00 0.00 H new ATOM 0 HA GLN A 64 6.139 6.235 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.726 7.286 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.105 5.616 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.905 7.764 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.996 7.379 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.232 6.011 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.283 4.660 3.409 1.00 0.00 H new ATOM 989 N ILE A 65 3.942 5.118 3.274 1.00 0.00 N ATOM 990 CA ILE A 65 2.633 4.479 3.236 1.00 0.00 C ATOM 991 C ILE A 65 2.617 3.205 4.072 1.00 0.00 C ATOM 992 O ILE A 65 3.419 2.296 3.854 1.00 0.00 O ATOM 993 CB ILE A 65 2.215 4.138 1.793 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.436 5.343 0.876 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.759 3.695 1.754 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.495 4.983 -0.592 1.00 0.00 C ATOM 0 H ILE A 65 4.662 4.636 2.736 1.00 0.00 H new ATOM 0 HA ILE A 65 1.922 5.192 3.653 1.00 0.00 H new ATOM 0 HB ILE A 65 2.835 3.315 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.631 6.061 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.365 5.838 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.478 3.458 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.631 2.811 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.124 4.499 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.654 5.886 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.317 4.288 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.557 4.515 -0.890 1.00 0.00 H new ATOM 1008 N THR A 66 1.699 3.144 5.032 1.00 0.00 N ATOM 1009 CA THR A 66 1.578 1.981 5.902 1.00 0.00 C ATOM 1010 C THR A 66 0.593 0.967 5.332 1.00 0.00 C ATOM 1011 O THR A 66 -0.513 1.325 4.924 1.00 0.00 O ATOM 1012 CB THR A 66 1.122 2.383 7.317 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.671 3.659 7.665 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.555 1.344 8.341 1.00 0.00 C ATOM 0 H THR A 66 1.028 3.887 5.226 1.00 0.00 H new ATOM 0 HA THR A 66 2.567 1.528 5.962 1.00 0.00 H new ATOM 0 HB THR A 66 0.034 2.443 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.375 3.908 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.222 1.650 9.333 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.112 0.380 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.642 1.257 8.334 1.00 0.00 H new ATOM 1022 N ILE A 67 1.000 -0.297 5.305 1.00 0.00 N ATOM 1023 CA ILE A 67 0.151 -1.362 4.785 1.00 0.00 C ATOM 1024 C ILE A 67 0.221 -2.602 5.670 1.00 0.00 C ATOM 1025 O ILE A 67 1.283 -3.206 5.828 1.00 0.00 O ATOM 1026 CB ILE A 67 0.547 -1.747 3.348 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.468 -0.526 2.429 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.349 -2.863 2.833 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.161 -0.725 1.100 1.00 0.00 C ATOM 0 H ILE A 67 1.913 -0.609 5.637 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.869 -0.979 4.781 1.00 0.00 H new ATOM 0 HB ILE A 67 1.576 -2.107 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.579 -0.283 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.912 0.330 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.057 -3.124 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.247 -3.737 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.386 -2.528 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.065 0.180 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.217 -0.938 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.702 -1.561 0.572 1.00 0.00 H new ATOM 1041 N THR A 68 -0.917 -2.978 6.245 1.00 0.00 N ATOM 1042 CA THR A 68 -0.985 -4.147 7.113 1.00 0.00 C ATOM 1043 C THR A 68 -1.533 -5.356 6.364 1.00 0.00 C ATOM 1044 O THR A 68 -2.264 -5.213 5.385 1.00 0.00 O ATOM 1045 CB THR A 68 -1.865 -3.879 8.348 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.637 -2.551 8.833 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.571 -4.884 9.451 1.00 0.00 C ATOM 0 H THR A 68 -1.804 -2.490 6.125 1.00 0.00 H new ATOM 0 HA THR A 68 0.033 -4.357 7.441 1.00 0.00 H new ATOM 0 HB THR A 68 -2.909 -3.984 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.201 -2.388 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.205 -4.674 10.313 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.773 -5.892 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.524 -4.807 9.744 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.176 -6.548 6.834 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.643 -7.766 6.197 1.00 0.00 C ATOM 1057 C GLY A 69 -0.546 -8.802 6.052 1.00 0.00 C ATOM 1058 O GLY A 69 0.573 -8.601 6.525 1.00 0.00 O ATOM 0 H GLY A 69 -0.572 -6.692 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.461 -8.187 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.045 -7.526 5.212 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.867 -9.913 5.400 1.00 0.00 N ATOM 1063 CA TYR A 70 0.098 -10.988 5.199 1.00 0.00 C ATOM 1064 C TYR A 70 1.367 -10.462 4.534 1.00 0.00 C ATOM 1065 O TYR A 70 1.315 -9.867 3.458 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.515 -12.100 4.346 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.245 -13.148 5.153 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.355 -12.814 5.921 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.827 -14.473 5.150 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -3.025 -13.768 6.661 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -1.492 -15.434 5.886 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.591 -15.078 6.640 1.00 0.00 C ATOM 1073 OH TYR A 70 -3.256 -16.032 7.374 1.00 0.00 O ATOM 0 H TYR A 70 -1.788 -10.093 5.001 1.00 0.00 H new ATOM 0 HA TYR A 70 0.362 -11.393 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.207 -11.657 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.275 -12.582 3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.699 -11.790 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.033 -14.756 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.884 -13.490 7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.153 -16.459 5.871 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.823 -16.902 7.248 1.00 0.00 H new ATOM 1083 N GLU A 71 2.505 -10.688 5.183 1.00 0.00 N ATOM 1084 CA GLU A 71 3.787 -10.238 4.654 1.00 0.00 C ATOM 1085 C GLU A 71 3.808 -10.322 3.131 1.00 0.00 C ATOM 1086 O GLU A 71 4.342 -9.442 2.456 1.00 0.00 O ATOM 1087 CB GLU A 71 4.927 -11.075 5.239 1.00 0.00 C ATOM 1088 CG GLU A 71 6.241 -10.921 4.490 1.00 0.00 C ATOM 1089 CD GLU A 71 7.332 -11.822 5.036 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.015 -12.965 5.428 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.501 -11.384 5.070 1.00 0.00 O ATOM 0 H GLU A 71 2.565 -11.179 6.075 1.00 0.00 H new ATOM 0 HA GLU A 71 3.925 -9.196 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.077 -10.792 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.636 -12.125 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.083 -11.146 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.569 -9.883 4.548 1.00 0.00 H new ATOM 1098 N LYS A 72 3.223 -11.388 2.595 1.00 0.00 N ATOM 1099 CA LYS A 72 3.173 -11.589 1.152 1.00 0.00 C ATOM 1100 C LYS A 72 2.085 -10.726 0.521 1.00 0.00 C ATOM 1101 O LYS A 72 2.367 -9.867 -0.314 1.00 0.00 O ATOM 1102 CB LYS A 72 2.920 -13.063 0.831 1.00 0.00 C ATOM 1103 CG LYS A 72 4.005 -13.993 1.344 1.00 0.00 C ATOM 1104 CD LYS A 72 4.077 -15.272 0.527 1.00 0.00 C ATOM 1105 CE LYS A 72 4.863 -16.354 1.252 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.318 -16.038 1.310 1.00 0.00 N ATOM 0 H LYS A 72 2.777 -12.126 3.139 1.00 0.00 H new ATOM 0 HA LYS A 72 4.135 -11.293 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.964 -13.361 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.833 -13.181 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.968 -13.484 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.811 -14.238 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.068 -15.630 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.545 -15.064 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.475 -16.468 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.719 -17.309 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.819 -16.799 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.694 -15.954 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.458 -15.140 1.815 1.00 0.00 H new ATOM 1120 N ASN A 73 0.841 -10.960 0.925 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.290 -10.203 0.398 1.00 0.00 C ATOM 1122 C ASN A 73 0.040 -8.715 0.323 1.00 0.00 C ATOM 1123 O ASN A 73 -0.411 -8.012 -0.581 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.526 -10.418 1.272 1.00 0.00 C ATOM 1125 CG ASN A 73 -1.989 -11.862 1.273 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.184 -12.784 1.139 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.293 -12.066 1.422 1.00 0.00 N ATOM 0 H ASN A 73 0.590 -11.668 1.615 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.498 -10.563 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.303 -10.110 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.335 -9.780 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.663 -13.016 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.924 -11.272 1.530 1.00 0.00 H new ATOM 1134 N THR A 74 0.833 -8.240 1.280 1.00 0.00 N ATOM 1135 CA THR A 74 1.223 -6.837 1.323 1.00 0.00 C ATOM 1136 C THR A 74 2.100 -6.474 0.131 1.00 0.00 C ATOM 1137 O THR A 74 1.754 -5.597 -0.661 1.00 0.00 O ATOM 1138 CB THR A 74 1.979 -6.504 2.623 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.152 -7.319 2.730 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.091 -6.724 3.838 1.00 0.00 C ATOM 0 H THR A 74 1.217 -8.808 2.035 1.00 0.00 H new ATOM 0 HA THR A 74 0.304 -6.252 1.286 1.00 0.00 H new ATOM 0 HB THR A 74 2.268 -5.454 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.796 -6.889 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.647 -6.482 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.213 -6.081 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.775 -7.767 3.874 1.00 0.00 H new ATOM 1148 N GLU A 75 3.237 -7.152 0.009 1.00 0.00 N ATOM 1149 CA GLU A 75 4.163 -6.899 -1.088 1.00 0.00 C ATOM 1150 C GLU A 75 3.418 -6.784 -2.414 1.00 0.00 C ATOM 1151 O GLU A 75 3.729 -5.928 -3.241 1.00 0.00 O ATOM 1152 CB GLU A 75 5.206 -8.016 -1.172 1.00 0.00 C ATOM 1153 CG GLU A 75 6.070 -8.136 0.072 1.00 0.00 C ATOM 1154 CD GLU A 75 7.463 -8.653 -0.234 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.575 -9.723 -0.866 1.00 0.00 O ATOM 1156 OE2 GLU A 75 8.442 -7.984 0.160 1.00 0.00 O ATOM 0 H GLU A 75 3.539 -7.880 0.656 1.00 0.00 H new ATOM 0 HA GLU A 75 4.668 -5.953 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.697 -8.965 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.848 -7.838 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.146 -7.161 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.586 -8.805 0.783 1.00 0.00 H new ATOM 1163 N ALA A 76 2.431 -7.653 -2.609 1.00 0.00 N ATOM 1164 CA ALA A 76 1.640 -7.648 -3.834 1.00 0.00 C ATOM 1165 C ALA A 76 0.834 -6.360 -3.962 1.00 0.00 C ATOM 1166 O ALA A 76 0.570 -5.890 -5.068 1.00 0.00 O ATOM 1167 CB ALA A 76 0.716 -8.857 -3.869 1.00 0.00 C ATOM 0 H ALA A 76 2.160 -8.369 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 76 2.325 -7.702 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.131 -8.841 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.310 -9.770 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.044 -8.826 -3.011 1.00 0.00 H new ATOM 1173 N ALA A 77 0.448 -5.793 -2.824 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.326 -4.559 -2.809 1.00 0.00 C ATOM 1175 C ALA A 77 0.586 -3.339 -2.873 1.00 0.00 C ATOM 1176 O ALA A 77 0.210 -2.297 -3.412 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.204 -4.500 -1.567 1.00 0.00 C ATOM 0 H ALA A 77 0.659 -6.169 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.965 -4.550 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.776 -3.572 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.888 -5.349 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.577 -4.537 -0.676 1.00 0.00 H new ATOM 1183 N ARG A 78 1.786 -3.473 -2.319 1.00 0.00 N ATOM 1184 CA ARG A 78 2.751 -2.380 -2.312 1.00 0.00 C ATOM 1185 C ARG A 78 3.362 -2.185 -3.697 1.00 0.00 C ATOM 1186 O ARG A 78 3.850 -1.103 -4.023 1.00 0.00 O ATOM 1187 CB ARG A 78 3.856 -2.654 -1.289 1.00 0.00 C ATOM 1188 CG ARG A 78 5.044 -3.410 -1.864 1.00 0.00 C ATOM 1189 CD ARG A 78 6.105 -2.459 -2.394 1.00 0.00 C ATOM 1190 NE ARG A 78 6.927 -3.080 -3.429 1.00 0.00 N ATOM 1191 CZ ARG A 78 8.159 -2.681 -3.727 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.709 -1.668 -3.070 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.846 -3.296 -4.681 1.00 0.00 N ATOM 0 H ARG A 78 2.114 -4.328 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 78 2.226 -1.466 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.203 -1.706 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.439 -3.226 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.478 -4.048 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.706 -4.064 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.624 -1.568 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.742 -2.132 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 78 6.534 -3.863 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.186 -1.193 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.655 -1.364 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.429 -4.077 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.791 -2.988 -4.908 1.00 0.00 H new ATOM 1207 N ASP A 79 3.331 -3.239 -4.505 1.00 0.00 N ATOM 1208 CA ASP A 79 3.881 -3.183 -5.854 1.00 0.00 C ATOM 1209 C ASP A 79 3.057 -2.254 -6.739 1.00 0.00 C ATOM 1210 O ASP A 79 3.587 -1.613 -7.646 1.00 0.00 O ATOM 1211 CB ASP A 79 3.927 -4.584 -6.467 1.00 0.00 C ATOM 1212 CG ASP A 79 4.788 -4.642 -7.713 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.699 -3.799 -7.844 1.00 0.00 O ATOM 1214 OD2 ASP A 79 4.550 -5.532 -8.558 1.00 0.00 O ATOM 0 H ASP A 79 2.931 -4.142 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 79 4.895 -2.789 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.312 -5.288 -5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.914 -4.903 -6.713 1.00 0.00 H new ATOM 1219 N ALA A 80 1.757 -2.186 -6.468 1.00 0.00 N ATOM 1220 CA ALA A 80 0.860 -1.335 -7.239 1.00 0.00 C ATOM 1221 C ALA A 80 1.191 0.140 -7.033 1.00 0.00 C ATOM 1222 O ALA A 80 1.466 0.863 -7.990 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.587 -1.612 -6.860 1.00 0.00 C ATOM 0 H ALA A 80 1.302 -2.710 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 80 0.997 -1.567 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.246 -0.969 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.823 -2.656 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.730 -1.410 -5.799 1.00 0.00 H new ATOM 1229 N ILE A 81 1.159 0.578 -5.779 1.00 0.00 N ATOM 1230 CA ILE A 81 1.455 1.967 -5.449 1.00 0.00 C ATOM 1231 C ILE A 81 2.603 2.502 -6.299 1.00 0.00 C ATOM 1232 O ILE A 81 2.639 3.686 -6.637 1.00 0.00 O ATOM 1233 CB ILE A 81 1.818 2.125 -3.959 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.651 1.677 -3.078 1.00 0.00 C ATOM 1235 CG2 ILE A 81 2.195 3.568 -3.658 1.00 0.00 C ATOM 1236 CD1 ILE A 81 1.084 1.137 -1.732 1.00 0.00 C ATOM 0 H ILE A 81 0.931 -0.008 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 81 0.553 2.541 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 81 2.678 1.492 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.022 2.521 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.083 0.909 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.449 3.665 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.054 3.854 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.353 4.220 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.205 0.838 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.733 0.273 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.626 1.910 -1.187 1.00 0.00 H new ATOM 1248 N LEU A 82 3.536 1.622 -6.645 1.00 0.00 N ATOM 1249 CA LEU A 82 4.684 2.005 -7.459 1.00 0.00 C ATOM 1250 C LEU A 82 4.344 1.940 -8.944 1.00 0.00 C ATOM 1251 O LEU A 82 4.585 2.890 -9.688 1.00 0.00 O ATOM 1252 CB LEU A 82 5.875 1.094 -7.157 1.00 0.00 C ATOM 1253 CG LEU A 82 6.211 0.896 -5.678 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.326 -0.125 -5.516 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.601 2.221 -5.038 1.00 0.00 C ATOM 0 H LEU A 82 3.520 0.639 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 82 4.948 3.033 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.680 0.117 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.754 1.501 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 82 5.324 0.517 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.551 -0.253 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.010 -1.079 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.217 0.224 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.837 2.061 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.474 2.628 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.772 2.923 -5.121 1.00 0.00 H new ATOM 1267 N ARG A 83 3.780 0.814 -9.369 1.00 0.00 N ATOM 1268 CA ARG A 83 3.406 0.626 -10.765 1.00 0.00 C ATOM 1269 C ARG A 83 2.676 1.853 -11.303 1.00 0.00 C ATOM 1270 O ARG A 83 2.853 2.236 -12.459 1.00 0.00 O ATOM 1271 CB ARG A 83 2.522 -0.614 -10.916 1.00 0.00 C ATOM 1272 CG ARG A 83 2.627 -1.275 -12.280 1.00 0.00 C ATOM 1273 CD ARG A 83 2.343 -2.767 -12.199 1.00 0.00 C ATOM 1274 NE ARG A 83 1.775 -3.284 -13.442 1.00 0.00 N ATOM 1275 CZ ARG A 83 0.610 -2.884 -13.939 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.106 -1.967 -13.303 1.00 0.00 N ATOM 1277 NH2 ARG A 83 0.159 -3.402 -15.074 1.00 0.00 N ATOM 0 H ARG A 83 3.572 0.018 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 83 4.319 0.486 -11.344 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.794 -1.339 -10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.484 -0.334 -10.737 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.923 -0.806 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.625 -1.115 -12.687 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.266 -3.300 -11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.654 -2.961 -11.377 1.00 0.00 H new ATOM 0 HE ARG A 83 2.302 -3.990 -13.956 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.238 -1.567 -12.430 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.000 -1.662 -13.687 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.707 -4.108 -15.566 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.736 -3.094 -15.455 1.00 0.00 H new ATOM 1291 N ILE A 84 1.855 2.464 -10.455 1.00 0.00 N ATOM 1292 CA ILE A 84 1.100 3.649 -10.845 1.00 0.00 C ATOM 1293 C ILE A 84 1.997 4.881 -10.899 1.00 0.00 C ATOM 1294 O ILE A 84 2.152 5.502 -11.951 1.00 0.00 O ATOM 1295 CB ILE A 84 -0.065 3.918 -9.874 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.889 2.645 -9.666 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.943 5.043 -10.399 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.538 2.562 -8.302 1.00 0.00 C ATOM 0 H ILE A 84 1.696 2.159 -9.495 1.00 0.00 H new ATOM 0 HA ILE A 84 0.697 3.453 -11.839 1.00 0.00 H new ATOM 0 HB ILE A 84 0.347 4.223 -8.912 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.663 2.594 -10.432 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.244 1.777 -9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.762 5.221 -9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.349 5.951 -10.501 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.349 4.764 -11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.106 1.635 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.768 2.581 -7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.209 3.410 -8.166 1.00 0.00 H new ATOM 1310 N VAL A 85 2.585 5.227 -9.759 1.00 0.00 N ATOM 1311 CA VAL A 85 3.470 6.384 -9.677 1.00 0.00 C ATOM 1312 C VAL A 85 4.336 6.503 -10.926 1.00 0.00 C ATOM 1313 O VAL A 85 4.595 7.603 -11.412 1.00 0.00 O ATOM 1314 CB VAL A 85 4.383 6.305 -8.439 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.554 7.265 -8.577 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.591 6.596 -7.174 1.00 0.00 C ATOM 0 H VAL A 85 2.465 4.724 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 85 2.833 7.265 -9.595 1.00 0.00 H new ATOM 0 HB VAL A 85 4.781 5.293 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.188 7.195 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.135 7.005 -9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.180 8.284 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.252 6.536 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.163 7.597 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.790 5.864 -7.070 1.00 0.00 H new ATOM 1326 N GLY A 86 4.781 5.362 -11.443 1.00 0.00 N ATOM 1327 CA GLY A 86 5.612 5.360 -12.632 1.00 0.00 C ATOM 1328 C GLY A 86 4.942 6.037 -13.811 1.00 0.00 C ATOM 1329 O GLY A 86 5.521 6.922 -14.438 1.00 0.00 O ATOM 0 H GLY A 86 4.581 4.439 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.553 5.865 -12.414 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.856 4.332 -12.899 1.00 0.00 H new ATOM 1333 N GLU A 87 3.716 5.617 -14.112 1.00 0.00 N ATOM 1334 CA GLU A 87 2.967 6.188 -15.225 1.00 0.00 C ATOM 1335 C GLU A 87 2.672 7.665 -14.982 1.00 0.00 C ATOM 1336 O GLU A 87 2.820 8.495 -15.880 1.00 0.00 O ATOM 1337 CB GLU A 87 1.659 5.422 -15.435 1.00 0.00 C ATOM 1338 CG GLU A 87 0.497 5.972 -14.625 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.817 5.288 -14.953 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -1.050 4.173 -14.441 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.612 5.869 -15.720 1.00 0.00 O ATOM 0 H GLU A 87 3.222 4.885 -13.601 1.00 0.00 H new ATOM 0 HA GLU A 87 3.578 6.101 -16.123 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.398 5.448 -16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.813 4.376 -15.170 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.710 5.852 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.402 7.042 -14.812 1.00 0.00 H new ATOM 1348 N LEU A 88 2.252 7.985 -13.763 1.00 0.00 N ATOM 1349 CA LEU A 88 1.935 9.361 -13.400 1.00 0.00 C ATOM 1350 C LEU A 88 3.062 10.306 -13.806 1.00 0.00 C ATOM 1351 O LEU A 88 2.824 11.473 -14.118 1.00 0.00 O ATOM 1352 CB LEU A 88 1.683 9.468 -11.895 1.00 0.00 C ATOM 1353 CG LEU A 88 0.776 8.396 -11.289 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.467 8.718 -9.835 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.509 8.267 -12.094 1.00 0.00 C ATOM 0 H LEU A 88 2.123 7.310 -13.009 1.00 0.00 H new ATOM 0 HA LEU A 88 1.031 9.652 -13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.644 9.434 -11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.246 10.445 -11.689 1.00 0.00 H new ATOM 0 HG LEU A 88 1.300 7.441 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.179 7.944 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.396 8.758 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.037 9.683 -9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.142 7.500 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.037 9.220 -12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.269 7.988 -13.120 1.00 0.00 H new