USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 142:sc= 0 (180deg=-0.976) USER MOD Single : A 19 SER OG : rot -86:sc= 1.25 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.639 K(o=0.64,f=-0.076) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.21 K(o=1.2,f=-0.00015) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0351 (180deg=-0.263) USER MOD Single : A 43 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.892 K(o=0.89,f=-2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.037 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00587) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -170:sc= -0.0342 USER MOD Single : A 56 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.059 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 89:sc= 0.736 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.948 -0.543 -5.657 1.00 0.00 N ATOM 183 CA LYS A 16 -9.960 -0.134 -7.056 1.00 0.00 C ATOM 184 C LYS A 16 -8.723 -0.713 -7.738 1.00 0.00 C ATOM 185 O LYS A 16 -7.713 -0.959 -7.076 1.00 0.00 O ATOM 186 CB LYS A 16 -9.921 1.400 -7.150 1.00 0.00 C ATOM 187 CG LYS A 16 -11.263 2.078 -6.867 1.00 0.00 C ATOM 188 CD LYS A 16 -12.226 2.006 -8.057 1.00 0.00 C ATOM 189 CE LYS A 16 -13.591 2.532 -7.609 1.00 0.00 C ATOM 190 NZ LYS A 16 -14.565 2.562 -8.717 1.00 0.00 N ATOM 0 HA LYS A 16 -10.866 -0.497 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.180 1.778 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.586 1.684 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.727 1.607 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.090 3.123 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.846 2.599 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.314 0.979 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.975 1.903 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.476 3.536 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.475 2.925 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.211 3.182 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.696 1.600 -9.091 1.00 0.00 H new ATOM 204 N PRO A 17 -8.759 -0.931 -9.061 1.00 0.00 N ATOM 205 CA PRO A 17 -7.612 -1.458 -9.782 1.00 0.00 C ATOM 206 C PRO A 17 -6.527 -0.381 -9.814 1.00 0.00 C ATOM 207 O PRO A 17 -6.836 0.812 -9.864 1.00 0.00 O ATOM 208 CB PRO A 17 -8.123 -1.790 -11.178 1.00 0.00 C ATOM 209 CG PRO A 17 -9.302 -0.838 -11.362 1.00 0.00 C ATOM 210 CD PRO A 17 -9.876 -0.693 -9.957 1.00 0.00 C ATOM 0 HA PRO A 17 -7.178 -2.345 -9.321 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.355 -1.629 -11.935 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.433 -2.832 -11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.981 0.123 -11.764 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.039 -1.243 -12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.298 0.301 -9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.679 -1.410 -9.784 1.00 0.00 H new ATOM 218 N MET A 18 -5.264 -0.800 -9.824 1.00 0.00 N ATOM 219 CA MET A 18 -4.101 0.087 -9.835 1.00 0.00 C ATOM 220 C MET A 18 -3.523 0.148 -11.248 1.00 0.00 C ATOM 221 O MET A 18 -3.199 -0.896 -11.821 1.00 0.00 O ATOM 222 CB MET A 18 -3.067 -0.410 -8.817 1.00 0.00 C ATOM 223 CG MET A 18 -3.648 -0.458 -7.395 1.00 0.00 C ATOM 224 SD MET A 18 -4.079 1.136 -6.644 1.00 0.00 S ATOM 225 CE MET A 18 -2.477 1.583 -5.920 1.00 0.00 C ATOM 0 H MET A 18 -5.014 -1.789 -9.825 1.00 0.00 H new ATOM 0 HA MET A 18 -4.393 1.097 -9.547 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.723 -1.404 -9.103 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.196 0.246 -8.833 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.543 -1.080 -7.413 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.926 -0.956 -6.748 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.316 2.656 -6.027 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.469 1.318 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.682 1.044 -6.435 1.00 0.00 H new ATOM 235 N SER A 19 -3.458 1.342 -11.836 1.00 0.00 N ATOM 236 CA SER A 19 -2.917 1.531 -13.180 1.00 0.00 C ATOM 237 C SER A 19 -1.392 1.557 -13.121 1.00 0.00 C ATOM 238 O SER A 19 -0.800 1.750 -12.057 1.00 0.00 O ATOM 239 CB SER A 19 -3.432 2.843 -13.794 1.00 0.00 C ATOM 240 OG SER A 19 -3.401 2.794 -15.216 1.00 0.00 O ATOM 0 H SER A 19 -3.779 2.204 -11.394 1.00 0.00 H new ATOM 0 HA SER A 19 -3.246 0.701 -13.806 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.451 3.030 -13.456 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.822 3.676 -13.443 1.00 0.00 H new ATOM 0 HG SER A 19 -2.515 3.066 -15.533 1.00 0.00 H new ATOM 246 N TYR A 20 -0.767 1.424 -14.287 1.00 0.00 N ATOM 247 CA TYR A 20 0.672 1.450 -14.480 1.00 0.00 C ATOM 248 C TYR A 20 1.224 2.762 -13.929 1.00 0.00 C ATOM 249 O TYR A 20 2.244 2.772 -13.250 1.00 0.00 O ATOM 250 CB TYR A 20 0.955 1.307 -15.982 1.00 0.00 C ATOM 251 CG TYR A 20 2.377 1.633 -16.382 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.411 0.740 -16.050 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.667 2.831 -17.067 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.741 1.051 -16.369 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.997 3.124 -17.429 1.00 0.00 C ATOM 256 CZ TYR A 20 5.042 2.248 -17.051 1.00 0.00 C ATOM 257 OH TYR A 20 6.340 2.560 -17.300 1.00 0.00 O ATOM 0 H TYR A 20 -1.277 1.289 -15.160 1.00 0.00 H new ATOM 0 HA TYR A 20 1.159 0.631 -13.950 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.730 0.285 -16.286 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.277 1.960 -16.531 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.181 -0.188 -15.548 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.873 3.521 -17.313 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.535 0.373 -16.092 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.219 4.017 -17.995 1.00 0.00 H new ATOM 0 HH TYR A 20 6.385 3.414 -17.778 1.00 0.00 H new ATOM 267 N GLU A 21 0.514 3.855 -14.183 1.00 0.00 N ATOM 268 CA GLU A 21 0.846 5.204 -13.765 1.00 0.00 C ATOM 269 C GLU A 21 0.901 5.320 -12.248 1.00 0.00 C ATOM 270 O GLU A 21 1.794 5.969 -11.706 1.00 0.00 O ATOM 271 CB GLU A 21 -0.234 6.153 -14.302 1.00 0.00 C ATOM 272 CG GLU A 21 -0.173 6.329 -15.819 1.00 0.00 C ATOM 273 CD GLU A 21 -0.582 5.122 -16.660 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.378 4.255 -16.214 1.00 0.00 O ATOM 275 OE2 GLU A 21 -0.110 5.092 -17.821 1.00 0.00 O ATOM 0 H GLU A 21 -0.355 3.817 -14.715 1.00 0.00 H new ATOM 0 HA GLU A 21 1.829 5.462 -14.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.216 5.770 -14.025 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.125 7.127 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.813 7.168 -16.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.846 6.605 -16.090 1.00 0.00 H new ATOM 282 N GLU A 22 -0.069 4.699 -11.579 1.00 0.00 N ATOM 283 CA GLU A 22 -0.175 4.714 -10.132 1.00 0.00 C ATOM 284 C GLU A 22 0.954 3.857 -9.565 1.00 0.00 C ATOM 285 O GLU A 22 1.706 4.315 -8.714 1.00 0.00 O ATOM 286 CB GLU A 22 -1.577 4.234 -9.719 1.00 0.00 C ATOM 287 CG GLU A 22 -2.720 5.015 -10.389 1.00 0.00 C ATOM 288 CD GLU A 22 -2.540 6.539 -10.487 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.172 7.204 -9.491 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.845 7.106 -11.564 1.00 0.00 O ATOM 0 H GLU A 22 -0.809 4.167 -12.037 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.063 5.719 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.677 3.177 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.676 4.319 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.858 4.622 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.640 4.814 -9.839 1.00 0.00 H new ATOM 297 N LYS A 23 1.125 2.631 -10.073 1.00 0.00 N ATOM 298 CA LYS A 23 2.175 1.708 -9.642 1.00 0.00 C ATOM 299 C LYS A 23 3.553 2.377 -9.744 1.00 0.00 C ATOM 300 O LYS A 23 4.396 2.208 -8.863 1.00 0.00 O ATOM 301 CB LYS A 23 2.160 0.492 -10.573 1.00 0.00 C ATOM 302 CG LYS A 23 0.977 -0.460 -10.372 1.00 0.00 C ATOM 303 CD LYS A 23 0.840 -1.347 -11.613 1.00 0.00 C ATOM 304 CE LYS A 23 -0.121 -2.500 -11.337 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.112 -3.509 -12.417 1.00 0.00 N ATOM 0 H LYS A 23 0.527 2.249 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 23 1.993 1.417 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.154 0.843 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.085 -0.067 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.133 -1.074 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.060 0.107 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.477 -0.755 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.816 -1.739 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.149 -2.977 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.131 -2.108 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.780 -4.272 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.395 -3.062 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.845 -3.904 -12.515 1.00 0.00 H new ATOM 319 N ARG A 24 3.817 3.080 -10.849 1.00 0.00 N ATOM 320 CA ARG A 24 5.082 3.765 -11.086 1.00 0.00 C ATOM 321 C ARG A 24 5.212 4.934 -10.121 1.00 0.00 C ATOM 322 O ARG A 24 6.221 5.016 -9.428 1.00 0.00 O ATOM 323 CB ARG A 24 5.186 4.220 -12.550 1.00 0.00 C ATOM 324 CG ARG A 24 5.363 3.069 -13.562 1.00 0.00 C ATOM 325 CD ARG A 24 6.768 2.459 -13.636 1.00 0.00 C ATOM 326 NE ARG A 24 7.755 3.435 -14.109 1.00 0.00 N ATOM 327 CZ ARG A 24 9.074 3.380 -13.901 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.682 2.269 -13.489 1.00 0.00 N ATOM 329 NH2 ARG A 24 9.788 4.472 -14.128 1.00 0.00 N ATOM 0 H ARG A 24 3.147 3.188 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 24 5.908 3.077 -10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.288 4.781 -12.809 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.028 4.905 -12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.656 2.278 -13.312 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.094 3.436 -14.552 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.059 2.094 -12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.757 1.598 -14.305 1.00 0.00 H new ATOM 0 HE ARG A 24 7.403 4.228 -14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.138 1.422 -13.322 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.691 2.265 -13.341 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.329 5.323 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.797 4.462 -13.979 1.00 0.00 H new ATOM 343 N GLN A 25 4.216 5.821 -10.029 1.00 0.00 N ATOM 344 CA GLN A 25 4.292 6.964 -9.125 1.00 0.00 C ATOM 345 C GLN A 25 4.551 6.516 -7.680 1.00 0.00 C ATOM 346 O GLN A 25 5.376 7.122 -6.993 1.00 0.00 O ATOM 347 CB GLN A 25 3.029 7.825 -9.250 1.00 0.00 C ATOM 348 CG GLN A 25 3.043 9.031 -8.300 1.00 0.00 C ATOM 349 CD GLN A 25 4.198 10.001 -8.560 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.080 10.931 -9.356 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.355 9.795 -7.957 1.00 0.00 N ATOM 0 H GLN A 25 3.352 5.767 -10.569 1.00 0.00 H new ATOM 0 HA GLN A 25 5.142 7.582 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.933 8.177 -10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.153 7.212 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.100 9.569 -8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.104 8.673 -7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.456 9.024 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.148 10.407 -8.152 1.00 0.00 H new ATOM 360 N LEU A 26 3.894 5.447 -7.234 1.00 0.00 N ATOM 361 CA LEU A 26 4.049 4.895 -5.894 1.00 0.00 C ATOM 362 C LEU A 26 5.524 4.536 -5.677 1.00 0.00 C ATOM 363 O LEU A 26 6.111 4.844 -4.641 1.00 0.00 O ATOM 364 CB LEU A 26 3.118 3.675 -5.788 1.00 0.00 C ATOM 365 CG LEU A 26 2.665 3.323 -4.368 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.542 2.284 -4.476 1.00 0.00 C ATOM 367 CD2 LEU A 26 3.768 2.780 -3.463 1.00 0.00 C ATOM 0 H LEU A 26 3.226 4.932 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 26 3.774 5.607 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.234 3.858 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.627 2.811 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 26 2.335 4.251 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.199 2.014 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.712 2.704 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.916 1.395 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.355 2.559 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.179 1.869 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.558 3.524 -3.366 1.00 0.00 H new ATOM 379 N SER A 27 6.134 3.897 -6.676 1.00 0.00 N ATOM 380 CA SER A 27 7.530 3.493 -6.652 1.00 0.00 C ATOM 381 C SER A 27 8.426 4.733 -6.543 1.00 0.00 C ATOM 382 O SER A 27 9.405 4.706 -5.793 1.00 0.00 O ATOM 383 CB SER A 27 7.831 2.684 -7.911 1.00 0.00 C ATOM 384 OG SER A 27 9.077 2.003 -7.850 1.00 0.00 O ATOM 0 H SER A 27 5.656 3.643 -7.541 1.00 0.00 H new ATOM 0 HA SER A 27 7.732 2.866 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.034 1.958 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.830 3.351 -8.773 1.00 0.00 H new ATOM 0 HG SER A 27 9.216 1.501 -8.680 1.00 0.00 H new ATOM 390 N LEU A 28 8.132 5.824 -7.264 1.00 0.00 N ATOM 391 CA LEU A 28 8.928 7.046 -7.195 1.00 0.00 C ATOM 392 C LEU A 28 8.892 7.595 -5.774 1.00 0.00 C ATOM 393 O LEU A 28 9.934 7.976 -5.248 1.00 0.00 O ATOM 394 CB LEU A 28 8.382 8.094 -8.175 1.00 0.00 C ATOM 395 CG LEU A 28 9.008 8.081 -9.570 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.436 8.637 -9.570 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.958 6.724 -10.267 1.00 0.00 C ATOM 0 H LEU A 28 7.341 5.879 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 28 9.958 6.817 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.307 7.945 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.527 9.083 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 28 8.377 8.748 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.838 8.607 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.425 9.667 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.062 8.033 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.423 6.802 -11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.496 5.988 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.920 6.411 -10.380 1.00 0.00 H new ATOM 409 N ASP A 29 7.716 7.638 -5.147 1.00 0.00 N ATOM 410 CA ASP A 29 7.570 8.132 -3.778 1.00 0.00 C ATOM 411 C ASP A 29 8.310 7.202 -2.810 1.00 0.00 C ATOM 412 O ASP A 29 8.886 7.676 -1.828 1.00 0.00 O ATOM 413 CB ASP A 29 6.085 8.295 -3.410 1.00 0.00 C ATOM 414 CG ASP A 29 5.503 9.684 -3.708 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.274 10.572 -4.151 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.300 9.892 -3.432 1.00 0.00 O ATOM 0 H ASP A 29 6.841 7.332 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 29 8.021 9.121 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.505 7.548 -3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.962 8.084 -2.348 1.00 0.00 H new ATOM 421 N ILE A 30 8.337 5.891 -3.079 1.00 0.00 N ATOM 422 CA ILE A 30 9.045 4.907 -2.262 1.00 0.00 C ATOM 423 C ILE A 30 10.545 5.209 -2.364 1.00 0.00 C ATOM 424 O ILE A 30 11.238 5.214 -1.347 1.00 0.00 O ATOM 425 CB ILE A 30 8.683 3.463 -2.722 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.402 3.003 -1.996 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.804 2.428 -2.495 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.827 1.667 -2.483 1.00 0.00 C ATOM 0 H ILE A 30 7.860 5.482 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 30 8.748 4.971 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 30 8.531 3.513 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.615 2.923 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.640 3.774 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.472 1.450 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.693 2.727 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.041 2.375 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.929 1.428 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.576 1.743 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.567 0.879 -2.341 1.00 0.00 H new ATOM 440 N ASN A 31 11.048 5.492 -3.572 1.00 0.00 N ATOM 441 CA ASN A 31 12.460 5.779 -3.811 1.00 0.00 C ATOM 442 C ASN A 31 12.943 7.004 -3.044 1.00 0.00 C ATOM 443 O ASN A 31 14.144 7.108 -2.794 1.00 0.00 O ATOM 444 CB ASN A 31 12.779 5.930 -5.307 1.00 0.00 C ATOM 445 CG ASN A 31 13.049 4.588 -5.958 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.196 4.204 -6.165 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.013 3.841 -6.282 1.00 0.00 N ATOM 0 H ASN A 31 10.477 5.527 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 31 13.003 4.912 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.944 6.418 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.648 6.577 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.158 2.928 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.067 4.176 -6.103 1.00 0.00 H new ATOM 454 N LYS A 32 12.060 7.924 -2.648 1.00 0.00 N ATOM 455 CA LYS A 32 12.425 9.127 -1.899 1.00 0.00 C ATOM 456 C LYS A 32 12.634 8.842 -0.408 1.00 0.00 C ATOM 457 O LYS A 32 12.928 9.781 0.334 1.00 0.00 O ATOM 458 CB LYS A 32 11.338 10.205 -2.102 1.00 0.00 C ATOM 459 CG LYS A 32 11.220 10.692 -3.560 1.00 0.00 C ATOM 460 CD LYS A 32 12.398 11.565 -4.003 1.00 0.00 C ATOM 461 CE LYS A 32 12.259 12.954 -3.386 1.00 0.00 C ATOM 462 NZ LYS A 32 13.527 13.706 -3.386 1.00 0.00 N ATOM 0 H LYS A 32 11.061 7.853 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 32 13.378 9.489 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.376 9.805 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.558 11.057 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.149 9.828 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.295 11.257 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.339 11.110 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.422 11.639 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.507 13.518 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.898 12.858 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.376 14.641 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.240 13.184 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.861 13.824 -4.364 1.00 0.00 H new ATOM 476 N LEU A 33 12.455 7.601 0.056 1.00 0.00 N ATOM 477 CA LEU A 33 12.622 7.251 1.461 1.00 0.00 C ATOM 478 C LEU A 33 14.025 6.756 1.804 1.00 0.00 C ATOM 479 O LEU A 33 14.701 6.174 0.951 1.00 0.00 O ATOM 480 CB LEU A 33 11.647 6.121 1.832 1.00 0.00 C ATOM 481 CG LEU A 33 10.184 6.569 1.846 1.00 0.00 C ATOM 482 CD1 LEU A 33 9.296 5.337 2.005 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.901 7.558 2.987 1.00 0.00 C ATOM 0 H LEU A 33 12.190 6.814 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 33 12.431 8.168 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.763 5.302 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.910 5.731 2.815 1.00 0.00 H new ATOM 0 HG LEU A 33 9.971 7.080 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.250 5.642 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.466 4.656 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.537 4.833 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.852 7.852 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.122 7.084 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.528 8.441 2.867 1.00 0.00 H new ATOM 495 N PRO A 34 14.431 6.921 3.076 1.00 0.00 N ATOM 496 CA PRO A 34 15.716 6.460 3.569 1.00 0.00 C ATOM 497 C PRO A 34 15.621 4.937 3.743 1.00 0.00 C ATOM 498 O PRO A 34 14.521 4.390 3.901 1.00 0.00 O ATOM 499 CB PRO A 34 15.888 7.152 4.927 1.00 0.00 C ATOM 500 CG PRO A 34 14.459 7.273 5.427 1.00 0.00 C ATOM 501 CD PRO A 34 13.706 7.599 4.145 1.00 0.00 C ATOM 0 HA PRO A 34 16.553 6.684 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.505 6.563 5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.365 8.127 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.106 6.349 5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.353 8.059 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.674 7.253 4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.673 8.675 3.974 1.00 0.00 H new ATOM 509 N GLY A 35 16.754 4.234 3.795 1.00 0.00 N ATOM 510 CA GLY A 35 16.748 2.782 3.963 1.00 0.00 C ATOM 511 C GLY A 35 16.046 2.372 5.254 1.00 0.00 C ATOM 512 O GLY A 35 15.285 1.400 5.247 1.00 0.00 O ATOM 0 H GLY A 35 17.684 4.646 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.248 2.318 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.773 2.411 3.971 1.00 0.00 H new ATOM 516 N GLU A 36 16.229 3.149 6.328 1.00 0.00 N ATOM 517 CA GLU A 36 15.618 2.897 7.632 1.00 0.00 C ATOM 518 C GLU A 36 14.082 2.905 7.559 1.00 0.00 C ATOM 519 O GLU A 36 13.429 2.312 8.413 1.00 0.00 O ATOM 520 CB GLU A 36 16.141 3.890 8.688 1.00 0.00 C ATOM 521 CG GLU A 36 15.952 5.369 8.312 1.00 0.00 C ATOM 522 CD GLU A 36 15.853 6.278 9.539 1.00 0.00 C ATOM 523 OE1 GLU A 36 16.896 6.748 10.039 1.00 0.00 O ATOM 524 OE2 GLU A 36 14.717 6.546 10.007 1.00 0.00 O ATOM 0 H GLU A 36 16.816 3.983 6.312 1.00 0.00 H new ATOM 0 HA GLU A 36 15.913 1.894 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.632 3.699 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.202 3.702 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.787 5.692 7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.049 5.475 7.711 1.00 0.00 H new ATOM 531 N LYS A 37 13.470 3.566 6.563 1.00 0.00 N ATOM 532 CA LYS A 37 12.007 3.581 6.426 1.00 0.00 C ATOM 533 C LYS A 37 11.575 2.668 5.290 1.00 0.00 C ATOM 534 O LYS A 37 10.440 2.188 5.318 1.00 0.00 O ATOM 535 CB LYS A 37 11.452 4.996 6.264 1.00 0.00 C ATOM 536 CG LYS A 37 11.800 5.863 7.484 1.00 0.00 C ATOM 537 CD LYS A 37 11.137 7.241 7.404 1.00 0.00 C ATOM 538 CE LYS A 37 9.655 7.204 7.829 1.00 0.00 C ATOM 539 NZ LYS A 37 9.472 6.843 9.256 1.00 0.00 N ATOM 0 H LYS A 37 13.964 4.095 5.844 1.00 0.00 H new ATOM 0 HA LYS A 37 11.582 3.197 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.860 5.450 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.370 4.955 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.479 5.357 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.881 5.982 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.678 7.940 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.211 7.618 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.205 8.180 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.122 6.486 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.514 7.108 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.602 5.818 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.172 7.350 9.835 1.00 0.00 H new ATOM 553 N LEU A 38 12.445 2.419 4.306 1.00 0.00 N ATOM 554 CA LEU A 38 12.142 1.534 3.188 1.00 0.00 C ATOM 555 C LEU A 38 11.901 0.148 3.770 1.00 0.00 C ATOM 556 O LEU A 38 10.882 -0.451 3.471 1.00 0.00 O ATOM 557 CB LEU A 38 13.291 1.506 2.173 1.00 0.00 C ATOM 558 CG LEU A 38 13.057 0.565 0.975 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.797 0.934 0.190 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.266 0.633 0.038 1.00 0.00 C ATOM 0 H LEU A 38 13.379 2.828 4.267 1.00 0.00 H new ATOM 0 HA LEU A 38 11.262 1.888 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.455 2.517 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.205 1.203 2.685 1.00 0.00 H new ATOM 0 HG LEU A 38 12.924 -0.444 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.673 0.244 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.928 0.871 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.891 1.951 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.106 -0.031 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.393 1.655 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.162 0.323 0.577 1.00 0.00 H new ATOM 572 N GLY A 39 12.741 -0.308 4.704 1.00 0.00 N ATOM 573 CA GLY A 39 12.596 -1.619 5.331 1.00 0.00 C ATOM 574 C GLY A 39 11.285 -1.834 6.088 1.00 0.00 C ATOM 575 O GLY A 39 11.092 -2.914 6.641 1.00 0.00 O ATOM 0 H GLY A 39 13.541 0.225 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.682 -2.385 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.425 -1.768 6.022 1.00 0.00 H new ATOM 579 N ARG A 40 10.417 -0.826 6.227 1.00 0.00 N ATOM 580 CA ARG A 40 9.120 -0.962 6.877 1.00 0.00 C ATOM 581 C ARG A 40 8.055 -1.200 5.800 1.00 0.00 C ATOM 582 O ARG A 40 6.983 -1.728 6.096 1.00 0.00 O ATOM 583 CB ARG A 40 8.848 0.269 7.750 1.00 0.00 C ATOM 584 CG ARG A 40 7.442 0.222 8.355 1.00 0.00 C ATOM 585 CD ARG A 40 7.392 0.933 9.699 1.00 0.00 C ATOM 586 NE ARG A 40 6.086 0.752 10.343 1.00 0.00 N ATOM 587 CZ ARG A 40 5.697 -0.283 11.092 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.459 -1.365 11.241 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.532 -0.208 11.718 1.00 0.00 N ATOM 0 H ARG A 40 10.603 0.117 5.885 1.00 0.00 H new ATOM 0 HA ARG A 40 9.099 -1.821 7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.588 0.322 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.959 1.173 7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.733 0.687 7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.132 -0.816 8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.178 0.547 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.588 1.996 9.559 1.00 0.00 H new ATOM 0 HE ARG A 40 5.402 1.496 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.366 -1.418 10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.136 -2.141 11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.954 0.627 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.213 -0.985 12.296 1.00 0.00 H new ATOM 603 N VAL A 41 8.321 -0.824 4.549 1.00 0.00 N ATOM 604 CA VAL A 41 7.423 -1.002 3.417 1.00 0.00 C ATOM 605 C VAL A 41 7.186 -2.497 3.233 1.00 0.00 C ATOM 606 O VAL A 41 6.035 -2.920 3.123 1.00 0.00 O ATOM 607 CB VAL A 41 8.044 -0.352 2.159 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.166 -0.532 0.912 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.247 1.154 2.393 1.00 0.00 C ATOM 0 H VAL A 41 9.198 -0.372 4.291 1.00 0.00 H new ATOM 0 HA VAL A 41 6.463 -0.515 3.591 1.00 0.00 H new ATOM 0 HB VAL A 41 8.997 -0.852 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.647 -0.058 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.034 -1.595 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.193 -0.071 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.685 1.605 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.285 1.623 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.915 1.304 3.241 1.00 0.00 H new ATOM 619 N VAL A 42 8.246 -3.308 3.300 1.00 0.00 N ATOM 620 CA VAL A 42 8.162 -4.757 3.127 1.00 0.00 C ATOM 621 C VAL A 42 7.163 -5.407 4.093 1.00 0.00 C ATOM 622 O VAL A 42 6.514 -6.388 3.732 1.00 0.00 O ATOM 623 CB VAL A 42 9.592 -5.330 3.229 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.177 -5.163 4.628 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.713 -6.800 2.820 1.00 0.00 C ATOM 0 H VAL A 42 9.193 -2.972 3.477 1.00 0.00 H new ATOM 0 HA VAL A 42 7.760 -4.995 2.142 1.00 0.00 H new ATOM 0 HB VAL A 42 10.162 -4.740 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.184 -5.580 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.217 -4.104 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.549 -5.686 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.749 -7.122 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.079 -7.410 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.397 -6.916 1.783 1.00 0.00 H new ATOM 635 N HIS A 43 7.005 -4.866 5.304 1.00 0.00 N ATOM 636 CA HIS A 43 6.100 -5.401 6.312 1.00 0.00 C ATOM 637 C HIS A 43 4.636 -5.196 5.921 1.00 0.00 C ATOM 638 O HIS A 43 3.772 -5.923 6.416 1.00 0.00 O ATOM 639 CB HIS A 43 6.380 -4.769 7.683 1.00 0.00 C ATOM 640 CG HIS A 43 7.642 -5.260 8.345 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.719 -5.997 9.506 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.921 -5.010 7.932 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.018 -6.179 9.795 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.785 -5.597 8.858 1.00 0.00 N ATOM 0 H HIS A 43 7.510 -4.035 5.611 1.00 0.00 H new ATOM 0 HA HIS A 43 6.281 -6.474 6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.442 -3.687 7.566 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.536 -4.970 8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.210 -4.459 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.391 -6.715 10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.805 -5.586 8.829 1.00 0.00 H new ATOM 652 N ILE A 44 4.323 -4.215 5.067 1.00 0.00 N ATOM 653 CA ILE A 44 2.947 -3.971 4.646 1.00 0.00 C ATOM 654 C ILE A 44 2.524 -5.172 3.802 1.00 0.00 C ATOM 655 O ILE A 44 1.513 -5.812 4.098 1.00 0.00 O ATOM 656 CB ILE A 44 2.807 -2.631 3.886 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.296 -1.451 4.754 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.334 -2.457 3.447 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.441 -0.114 4.023 1.00 0.00 C ATOM 0 H ILE A 44 5.007 -3.579 4.656 1.00 0.00 H new ATOM 0 HA ILE A 44 2.289 -3.871 5.509 1.00 0.00 H new ATOM 0 HB ILE A 44 3.437 -2.643 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.600 -1.319 5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.261 -1.716 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.223 -1.515 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.049 -3.282 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.690 -2.451 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.789 0.647 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.162 -0.219 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.475 0.184 3.614 1.00 0.00 H new ATOM 671 N ILE A 45 3.325 -5.497 2.781 1.00 0.00 N ATOM 672 CA ILE A 45 3.075 -6.609 1.881 1.00 0.00 C ATOM 673 C ILE A 45 3.031 -7.915 2.681 1.00 0.00 C ATOM 674 O ILE A 45 2.170 -8.741 2.401 1.00 0.00 O ATOM 675 CB ILE A 45 4.117 -6.654 0.741 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.113 -5.406 -0.174 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.877 -7.907 -0.117 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.042 -4.288 0.312 1.00 0.00 C ATOM 0 H ILE A 45 4.177 -4.981 2.560 1.00 0.00 H new ATOM 0 HA ILE A 45 2.106 -6.472 1.402 1.00 0.00 H new ATOM 0 HB ILE A 45 5.094 -6.678 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.410 -5.702 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.096 -5.019 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.610 -7.942 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.977 -8.798 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.874 -7.871 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.988 -3.445 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.733 -3.964 1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.066 -4.658 0.353 1.00 0.00 H new ATOM 690 N GLN A 46 3.864 -8.106 3.711 1.00 0.00 N ATOM 691 CA GLN A 46 3.843 -9.333 4.510 1.00 0.00 C ATOM 692 C GLN A 46 2.476 -9.558 5.181 1.00 0.00 C ATOM 693 O GLN A 46 2.159 -10.684 5.556 1.00 0.00 O ATOM 694 CB GLN A 46 5.010 -9.352 5.509 1.00 0.00 C ATOM 695 CG GLN A 46 6.337 -9.591 4.766 1.00 0.00 C ATOM 696 CD GLN A 46 7.562 -9.606 5.674 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.794 -8.663 6.427 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.380 -10.643 5.593 1.00 0.00 N ATOM 0 H GLN A 46 4.561 -7.424 4.010 1.00 0.00 H new ATOM 0 HA GLN A 46 3.985 -10.179 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.052 -8.406 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.852 -10.136 6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.279 -10.542 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.465 -8.813 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.165 -11.414 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.225 -10.672 6.163 1.00 0.00 H new ATOM 707 N SER A 47 1.639 -8.524 5.334 1.00 0.00 N ATOM 708 CA SER A 47 0.314 -8.680 5.922 1.00 0.00 C ATOM 709 C SER A 47 -0.660 -9.214 4.853 1.00 0.00 C ATOM 710 O SER A 47 -1.723 -9.726 5.201 1.00 0.00 O ATOM 711 CB SER A 47 -0.137 -7.333 6.498 1.00 0.00 C ATOM 712 OG SER A 47 -1.191 -7.464 7.439 1.00 0.00 O ATOM 0 H SER A 47 1.863 -7.569 5.056 1.00 0.00 H new ATOM 0 HA SER A 47 0.333 -9.403 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.712 -6.844 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.461 -6.685 5.684 1.00 0.00 H new ATOM 0 HG SER A 47 -1.440 -6.578 7.777 1.00 0.00 H new ATOM 718 N ARG A 48 -0.338 -9.088 3.561 1.00 0.00 N ATOM 719 CA ARG A 48 -1.138 -9.560 2.433 1.00 0.00 C ATOM 720 C ARG A 48 -0.653 -10.921 1.949 1.00 0.00 C ATOM 721 O ARG A 48 -1.482 -11.749 1.577 1.00 0.00 O ATOM 722 CB ARG A 48 -1.024 -8.591 1.241 1.00 0.00 C ATOM 723 CG ARG A 48 -1.510 -7.166 1.507 1.00 0.00 C ATOM 724 CD ARG A 48 -3.037 -6.983 1.465 1.00 0.00 C ATOM 725 NE ARG A 48 -3.712 -7.511 2.660 1.00 0.00 N ATOM 726 CZ ARG A 48 -3.530 -7.071 3.909 1.00 0.00 C ATOM 727 NH1 ARG A 48 -2.826 -5.969 4.151 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.042 -7.757 4.917 1.00 0.00 N ATOM 0 H ARG A 48 0.526 -8.634 3.263 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.168 -9.625 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.019 -8.549 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.592 -9.001 0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.148 -6.851 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.059 -6.501 0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.268 -5.923 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.433 -7.482 0.580 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.373 -8.276 2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.415 -5.446 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.697 -5.647 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.569 -8.612 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.910 -7.432 5.875 1.00 0.00 H new ATOM 742 N GLU A 49 0.658 -11.142 1.962 1.00 0.00 N ATOM 743 CA GLU A 49 1.307 -12.355 1.500 1.00 0.00 C ATOM 744 C GLU A 49 1.727 -13.236 2.682 1.00 0.00 C ATOM 745 O GLU A 49 2.836 -13.070 3.201 1.00 0.00 O ATOM 746 CB GLU A 49 2.524 -11.980 0.635 1.00 0.00 C ATOM 747 CG GLU A 49 2.232 -11.004 -0.512 1.00 0.00 C ATOM 748 CD GLU A 49 1.100 -11.467 -1.422 1.00 0.00 C ATOM 749 OE1 GLU A 49 1.353 -12.310 -2.312 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.058 -10.991 -1.281 1.00 0.00 O ATOM 0 H GLU A 49 1.321 -10.449 2.310 1.00 0.00 H new ATOM 0 HA GLU A 49 0.603 -12.930 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.286 -11.542 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.947 -12.893 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.979 -10.029 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.136 -10.871 -1.106 1.00 0.00 H new ATOM 757 N PRO A 50 0.898 -14.203 3.117 1.00 0.00 N ATOM 758 CA PRO A 50 1.257 -15.078 4.228 1.00 0.00 C ATOM 759 C PRO A 50 2.502 -15.928 3.926 1.00 0.00 C ATOM 760 O PRO A 50 3.115 -16.443 4.862 1.00 0.00 O ATOM 761 CB PRO A 50 0.019 -15.933 4.511 1.00 0.00 C ATOM 762 CG PRO A 50 -0.738 -15.916 3.189 1.00 0.00 C ATOM 763 CD PRO A 50 -0.437 -14.530 2.629 1.00 0.00 C ATOM 0 HA PRO A 50 1.535 -14.496 5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.291 -16.947 4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.579 -15.516 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.394 -16.704 2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.807 -16.067 3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.469 -14.530 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.171 -13.800 2.970 1.00 0.00 H new ATOM 771 N SER A 51 2.887 -16.105 2.656 1.00 0.00 N ATOM 772 CA SER A 51 4.071 -16.872 2.288 1.00 0.00 C ATOM 773 C SER A 51 5.314 -16.012 2.534 1.00 0.00 C ATOM 774 O SER A 51 6.164 -16.358 3.355 1.00 0.00 O ATOM 775 CB SER A 51 3.978 -17.304 0.815 1.00 0.00 C ATOM 776 OG SER A 51 3.470 -16.262 -0.010 1.00 0.00 O ATOM 0 H SER A 51 2.382 -15.718 1.858 1.00 0.00 H new ATOM 0 HA SER A 51 4.139 -17.774 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.965 -17.600 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.334 -18.179 0.733 1.00 0.00 H new ATOM 0 HG SER A 51 3.427 -16.572 -0.939 1.00 0.00 H new ATOM 782 N LEU A 52 5.349 -14.823 1.916 1.00 0.00 N ATOM 783 CA LEU A 52 6.460 -13.875 2.040 1.00 0.00 C ATOM 784 C LEU A 52 6.599 -13.373 3.478 1.00 0.00 C ATOM 785 O LEU A 52 7.641 -12.835 3.853 1.00 0.00 O ATOM 786 CB LEU A 52 6.360 -12.702 1.039 1.00 0.00 C ATOM 787 CG LEU A 52 6.768 -12.985 -0.426 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.052 -13.813 -0.572 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.663 -13.682 -1.221 1.00 0.00 C ATOM 0 H LEU A 52 4.598 -14.491 1.310 1.00 0.00 H new ATOM 0 HA LEU A 52 7.367 -14.421 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.330 -12.344 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.981 -11.887 1.411 1.00 0.00 H new ATOM 0 HG LEU A 52 6.951 -11.990 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.268 -13.967 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.882 -13.282 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.919 -14.779 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.004 -13.856 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.423 -14.636 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.774 -13.052 -1.238 1.00 0.00 H new ATOM 801 N LYS A 53 5.576 -13.541 4.323 1.00 0.00 N ATOM 802 CA LYS A 53 5.645 -13.134 5.721 1.00 0.00 C ATOM 803 C LYS A 53 6.783 -13.879 6.419 1.00 0.00 C ATOM 804 O LYS A 53 7.407 -13.322 7.322 1.00 0.00 O ATOM 805 CB LYS A 53 4.296 -13.391 6.415 1.00 0.00 C ATOM 806 CG LYS A 53 4.397 -12.999 7.893 1.00 0.00 C ATOM 807 CD LYS A 53 3.062 -12.923 8.630 1.00 0.00 C ATOM 808 CE LYS A 53 3.271 -12.288 10.010 1.00 0.00 C ATOM 809 NZ LYS A 53 4.151 -13.063 10.913 1.00 0.00 N ATOM 0 H LYS A 53 4.686 -13.960 4.055 1.00 0.00 H new ATOM 0 HA LYS A 53 5.851 -12.065 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.509 -12.815 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.023 -14.442 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.036 -13.720 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.890 -12.030 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.349 -12.335 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.638 -13.921 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.693 -11.292 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.300 -12.162 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.212 -12.583 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.759 -14.017 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.101 -13.134 10.496 1.00 0.00 H new ATOM 823 N ASN A 54 7.054 -15.121 6.018 1.00 0.00 N ATOM 824 CA ASN A 54 8.099 -15.948 6.602 1.00 0.00 C ATOM 825 C ASN A 54 9.433 -15.825 5.856 1.00 0.00 C ATOM 826 O ASN A 54 10.314 -16.666 6.060 1.00 0.00 O ATOM 827 CB ASN A 54 7.605 -17.395 6.723 1.00 0.00 C ATOM 828 CG ASN A 54 6.403 -17.528 7.650 1.00 0.00 C ATOM 829 OD1 ASN A 54 5.340 -17.989 7.253 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.509 -17.108 8.899 1.00 0.00 N ATOM 0 H ASN A 54 6.543 -15.584 5.266 1.00 0.00 H new ATOM 0 HA ASN A 54 8.311 -15.582 7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.339 -17.768 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.416 -18.022 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.708 -17.169 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.392 -16.723 9.234 1.00 0.00 H new ATOM 837 N SER A 55 9.586 -14.820 4.988 1.00 0.00 N ATOM 838 CA SER A 55 10.796 -14.548 4.223 1.00 0.00 C ATOM 839 C SER A 55 11.531 -13.360 4.863 1.00 0.00 C ATOM 840 O SER A 55 10.927 -12.571 5.600 1.00 0.00 O ATOM 841 CB SER A 55 10.437 -14.288 2.755 1.00 0.00 C ATOM 842 OG SER A 55 9.656 -15.350 2.242 1.00 0.00 O ATOM 0 H SER A 55 8.840 -14.152 4.795 1.00 0.00 H new ATOM 0 HA SER A 55 11.464 -15.409 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.888 -13.350 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.347 -14.180 2.165 1.00 0.00 H new ATOM 0 HG SER A 55 9.567 -15.251 1.271 1.00 0.00 H new ATOM 848 N ASN A 56 12.838 -13.241 4.619 1.00 0.00 N ATOM 849 CA ASN A 56 13.665 -12.151 5.149 1.00 0.00 C ATOM 850 C ASN A 56 13.311 -10.878 4.364 1.00 0.00 C ATOM 851 O ASN A 56 13.048 -10.996 3.167 1.00 0.00 O ATOM 852 CB ASN A 56 15.143 -12.494 4.927 1.00 0.00 C ATOM 853 CG ASN A 56 16.095 -11.721 5.825 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.904 -11.643 7.033 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.126 -11.115 5.270 1.00 0.00 N ATOM 0 H ASN A 56 13.358 -13.903 4.043 1.00 0.00 H new ATOM 0 HA ASN A 56 13.487 -12.006 6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.287 -13.561 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.400 -12.297 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.772 -10.576 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.278 -11.185 4.264 1.00 0.00 H new ATOM 862 N PRO A 57 13.360 -9.663 4.933 1.00 0.00 N ATOM 863 CA PRO A 57 13.002 -8.461 4.187 1.00 0.00 C ATOM 864 C PRO A 57 13.976 -8.166 3.044 1.00 0.00 C ATOM 865 O PRO A 57 13.561 -7.709 1.977 1.00 0.00 O ATOM 866 CB PRO A 57 12.919 -7.342 5.226 1.00 0.00 C ATOM 867 CG PRO A 57 13.768 -7.829 6.394 1.00 0.00 C ATOM 868 CD PRO A 57 13.661 -9.350 6.315 1.00 0.00 C ATOM 0 HA PRO A 57 12.047 -8.577 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.299 -6.402 4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.889 -7.164 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.802 -7.496 6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.394 -7.451 7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.592 -9.822 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.878 -9.720 6.977 1.00 0.00 H new ATOM 876 N ASP A 58 15.260 -8.478 3.234 1.00 0.00 N ATOM 877 CA ASP A 58 16.294 -8.246 2.228 1.00 0.00 C ATOM 878 C ASP A 58 16.143 -9.197 1.033 1.00 0.00 C ATOM 879 O ASP A 58 16.778 -8.971 0.007 1.00 0.00 O ATOM 880 CB ASP A 58 17.695 -8.410 2.834 1.00 0.00 C ATOM 881 CG ASP A 58 18.009 -7.434 3.960 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.876 -6.207 3.745 1.00 0.00 O ATOM 883 OD2 ASP A 58 18.352 -7.903 5.072 1.00 0.00 O ATOM 0 H ASP A 58 15.611 -8.900 4.094 1.00 0.00 H new ATOM 0 HA ASP A 58 16.171 -7.222 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.798 -9.427 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.436 -8.286 2.045 1.00 0.00 H new ATOM 888 N GLU A 59 15.308 -10.239 1.131 1.00 0.00 N ATOM 889 CA GLU A 59 15.082 -11.230 0.074 1.00 0.00 C ATOM 890 C GLU A 59 13.806 -10.966 -0.732 1.00 0.00 C ATOM 891 O GLU A 59 13.589 -11.588 -1.779 1.00 0.00 O ATOM 892 CB GLU A 59 14.890 -12.607 0.734 1.00 0.00 C ATOM 893 CG GLU A 59 16.111 -13.150 1.480 1.00 0.00 C ATOM 894 CD GLU A 59 17.115 -13.824 0.554 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.807 -14.936 0.071 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.241 -13.306 0.372 1.00 0.00 O ATOM 0 H GLU A 59 14.757 -10.420 1.970 1.00 0.00 H new ATOM 0 HA GLU A 59 15.942 -11.180 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.056 -12.544 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.606 -13.324 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.602 -12.333 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.782 -13.865 2.234 1.00 0.00 H new ATOM 903 N ILE A 60 12.933 -10.082 -0.246 1.00 0.00 N ATOM 904 CA ILE A 60 11.669 -9.792 -0.904 1.00 0.00 C ATOM 905 C ILE A 60 11.814 -8.632 -1.885 1.00 0.00 C ATOM 906 O ILE A 60 12.055 -7.489 -1.489 1.00 0.00 O ATOM 907 CB ILE A 60 10.556 -9.567 0.138 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.396 -10.775 1.091 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.233 -9.358 -0.617 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.724 -10.413 2.418 1.00 0.00 C ATOM 0 H ILE A 60 13.086 -9.552 0.612 1.00 0.00 H new ATOM 0 HA ILE A 60 11.373 -10.656 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 60 10.821 -8.700 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.809 -11.547 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.378 -11.202 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.427 -9.196 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.319 -8.489 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.013 -10.241 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.642 -11.305 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.322 -9.663 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.729 -10.013 2.225 1.00 0.00 H new ATOM 922 N GLU A 61 11.681 -8.951 -3.168 1.00 0.00 N ATOM 923 CA GLU A 61 11.747 -8.032 -4.299 1.00 0.00 C ATOM 924 C GLU A 61 10.379 -7.344 -4.451 1.00 0.00 C ATOM 925 O GLU A 61 9.341 -8.014 -4.404 1.00 0.00 O ATOM 926 CB GLU A 61 12.164 -8.816 -5.558 1.00 0.00 C ATOM 927 CG GLU A 61 11.212 -9.961 -5.958 1.00 0.00 C ATOM 928 CD GLU A 61 11.902 -10.987 -6.855 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.727 -11.783 -6.339 1.00 0.00 O ATOM 930 OE2 GLU A 61 11.604 -11.049 -8.070 1.00 0.00 O ATOM 0 H GLU A 61 11.515 -9.913 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 61 12.494 -7.254 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.241 -8.119 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.159 -9.231 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.841 -10.455 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.346 -9.549 -6.477 1.00 0.00 H new ATOM 937 N ILE A 62 10.349 -6.014 -4.560 1.00 0.00 N ATOM 938 CA ILE A 62 9.120 -5.243 -4.722 1.00 0.00 C ATOM 939 C ILE A 62 8.767 -5.307 -6.198 1.00 0.00 C ATOM 940 O ILE A 62 9.556 -4.877 -7.041 1.00 0.00 O ATOM 941 CB ILE A 62 9.273 -3.762 -4.276 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.634 -3.698 -2.780 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.961 -2.984 -4.524 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.855 -2.286 -2.218 1.00 0.00 C ATOM 0 H ILE A 62 11.190 -5.437 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 62 8.339 -5.665 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 62 10.071 -3.306 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.838 -4.177 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.540 -4.282 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.086 -1.949 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.718 -3.010 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.153 -3.443 -3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.104 -2.351 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.673 -1.805 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.945 -1.699 -2.342 1.00 0.00 H new ATOM 956 N ASP A 63 7.594 -5.838 -6.526 1.00 0.00 N ATOM 957 CA ASP A 63 7.142 -5.912 -7.902 1.00 0.00 C ATOM 958 C ASP A 63 5.717 -5.399 -7.939 1.00 0.00 C ATOM 959 O ASP A 63 4.921 -5.728 -7.067 1.00 0.00 O ATOM 960 CB ASP A 63 7.259 -7.313 -8.485 1.00 0.00 C ATOM 961 CG ASP A 63 7.586 -7.192 -9.955 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.142 -6.209 -10.590 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.306 -8.086 -10.449 1.00 0.00 O ATOM 0 H ASP A 63 6.938 -6.225 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 63 7.784 -5.295 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.037 -7.875 -7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.326 -7.860 -8.348 1.00 0.00 H new ATOM 968 N PHE A 64 5.382 -4.525 -8.881 1.00 0.00 N ATOM 969 CA PHE A 64 4.044 -3.958 -8.960 1.00 0.00 C ATOM 970 C PHE A 64 3.132 -4.773 -9.860 1.00 0.00 C ATOM 971 O PHE A 64 1.915 -4.561 -9.883 1.00 0.00 O ATOM 972 CB PHE A 64 4.165 -2.508 -9.421 1.00 0.00 C ATOM 973 CG PHE A 64 4.762 -1.600 -8.361 1.00 0.00 C ATOM 974 CD1 PHE A 64 6.157 -1.445 -8.238 1.00 0.00 C ATOM 975 CD2 PHE A 64 3.913 -0.942 -7.453 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.693 -0.629 -7.224 1.00 0.00 C ATOM 977 CE2 PHE A 64 4.447 -0.121 -6.447 1.00 0.00 C ATOM 978 CZ PHE A 64 5.836 0.040 -6.331 1.00 0.00 C ATOM 0 H PHE A 64 6.022 -4.194 -9.603 1.00 0.00 H new ATOM 0 HA PHE A 64 3.578 -3.986 -7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.784 -2.467 -10.318 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.178 -2.136 -9.697 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.817 -1.954 -8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.843 -1.069 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.763 -0.516 -7.131 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.787 0.388 -5.760 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.246 0.675 -5.559 1.00 0.00 H new ATOM 988 N GLU A 65 3.714 -5.720 -10.588 1.00 0.00 N ATOM 989 CA GLU A 65 2.990 -6.561 -11.508 1.00 0.00 C ATOM 990 C GLU A 65 2.383 -7.810 -10.865 1.00 0.00 C ATOM 991 O GLU A 65 1.384 -8.315 -11.379 1.00 0.00 O ATOM 992 CB GLU A 65 3.919 -6.853 -12.683 1.00 0.00 C ATOM 993 CG GLU A 65 5.021 -7.872 -12.377 1.00 0.00 C ATOM 994 CD GLU A 65 6.184 -7.784 -13.370 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.692 -6.666 -13.637 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.583 -8.844 -13.905 1.00 0.00 O ATOM 0 H GLU A 65 4.713 -5.920 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 65 2.105 -6.035 -11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.324 -7.219 -13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.382 -5.920 -13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.395 -7.707 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.600 -8.877 -12.401 1.00 0.00 H new ATOM 1003 N THR A 66 2.900 -8.261 -9.722 1.00 0.00 N ATOM 1004 CA THR A 66 2.390 -9.441 -9.031 1.00 0.00 C ATOM 1005 C THR A 66 1.560 -9.072 -7.805 1.00 0.00 C ATOM 1006 O THR A 66 0.662 -9.831 -7.436 1.00 0.00 O ATOM 1007 CB THR A 66 3.558 -10.367 -8.649 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.563 -9.674 -7.934 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.200 -10.972 -9.887 1.00 0.00 C ATOM 0 H THR A 66 3.687 -7.816 -9.249 1.00 0.00 H new ATOM 0 HA THR A 66 1.724 -9.970 -9.713 1.00 0.00 H new ATOM 0 HB THR A 66 3.136 -11.150 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.288 -10.293 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.023 -11.622 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.458 -11.553 -10.435 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.580 -10.175 -10.526 1.00 0.00 H new ATOM 1017 N LEU A 67 1.848 -7.928 -7.177 1.00 0.00 N ATOM 1018 CA LEU A 67 1.136 -7.482 -5.987 1.00 0.00 C ATOM 1019 C LEU A 67 -0.303 -7.142 -6.341 1.00 0.00 C ATOM 1020 O LEU A 67 -0.567 -6.513 -7.368 1.00 0.00 O ATOM 1021 CB LEU A 67 1.833 -6.273 -5.340 1.00 0.00 C ATOM 1022 CG LEU A 67 3.187 -6.594 -4.675 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.842 -5.291 -4.192 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.072 -7.540 -3.480 1.00 0.00 C ATOM 0 H LEU A 67 2.582 -7.289 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 67 1.141 -8.294 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.989 -5.509 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.167 -5.844 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 67 3.789 -7.093 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.799 -5.517 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.003 -4.628 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.189 -4.802 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.063 -7.721 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.435 -7.089 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.637 -8.485 -3.805 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.240 -7.557 -5.489 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.660 -7.293 -5.688 1.00 0.00 C ATOM 1038 C LYS A 68 -2.909 -5.785 -5.584 1.00 0.00 C ATOM 1039 O LYS A 68 -2.153 -5.079 -4.911 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.469 -8.068 -4.632 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.585 -9.556 -4.993 1.00 0.00 C ATOM 1042 CD LYS A 68 -3.916 -10.410 -3.765 1.00 0.00 C ATOM 1043 CE LYS A 68 -4.089 -11.876 -4.178 1.00 0.00 C ATOM 1044 NZ LYS A 68 -4.088 -12.786 -3.016 1.00 0.00 N ATOM 0 H LYS A 68 -1.033 -8.086 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.977 -7.626 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.991 -7.965 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.465 -7.635 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.360 -9.688 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.648 -9.898 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.120 -10.323 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.829 -10.046 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.025 -11.990 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.285 -12.157 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.208 -13.766 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.185 -12.698 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.871 -12.536 -2.378 1.00 0.00 H new ATOM 1058 N PRO A 69 -4.000 -5.271 -6.178 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.328 -3.850 -6.123 1.00 0.00 C ATOM 1060 C PRO A 69 -4.503 -3.389 -4.681 1.00 0.00 C ATOM 1061 O PRO A 69 -4.040 -2.313 -4.304 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.611 -3.694 -6.949 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.218 -5.099 -6.940 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.978 -5.983 -6.986 1.00 0.00 C ATOM 0 HA PRO A 69 -3.532 -3.226 -6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.287 -2.963 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.396 -3.356 -7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.814 -5.280 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.870 -5.267 -7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.181 -6.975 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.625 -6.121 -8.008 1.00 0.00 H new ATOM 1072 N SER A 70 -5.142 -4.224 -3.865 1.00 0.00 N ATOM 1073 CA SER A 70 -5.391 -3.958 -2.466 1.00 0.00 C ATOM 1074 C SER A 70 -4.081 -3.776 -1.694 1.00 0.00 C ATOM 1075 O SER A 70 -3.997 -2.938 -0.797 1.00 0.00 O ATOM 1076 CB SER A 70 -6.246 -5.112 -1.912 1.00 0.00 C ATOM 1077 OG SER A 70 -5.843 -6.365 -2.458 1.00 0.00 O ATOM 0 H SER A 70 -5.507 -5.125 -4.174 1.00 0.00 H new ATOM 0 HA SER A 70 -5.934 -3.021 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.160 -5.142 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.296 -4.933 -2.144 1.00 0.00 H new ATOM 0 HG SER A 70 -6.402 -7.079 -2.087 1.00 0.00 H new ATOM 1083 N THR A 71 -3.040 -4.530 -2.057 1.00 0.00 N ATOM 1084 CA THR A 71 -1.739 -4.453 -1.424 1.00 0.00 C ATOM 1085 C THR A 71 -1.159 -3.063 -1.676 1.00 0.00 C ATOM 1086 O THR A 71 -0.855 -2.346 -0.718 1.00 0.00 O ATOM 1087 CB THR A 71 -0.844 -5.592 -1.953 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.517 -6.825 -1.771 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.515 -5.613 -1.249 1.00 0.00 C ATOM 0 H THR A 71 -3.087 -5.217 -2.809 1.00 0.00 H new ATOM 0 HA THR A 71 -1.810 -4.588 -0.345 1.00 0.00 H new ATOM 0 HB THR A 71 -0.653 -5.426 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.957 -7.556 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.119 -6.428 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.027 -4.666 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.368 -5.760 -0.179 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.060 -2.659 -2.951 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.512 -1.363 -3.343 1.00 0.00 C ATOM 1099 C LEU A 72 -1.305 -0.210 -2.736 1.00 0.00 C ATOM 1100 O LEU A 72 -0.709 0.792 -2.350 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.443 -1.199 -4.871 1.00 0.00 C ATOM 1102 CG LEU A 72 0.223 -2.348 -5.636 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.112 -2.076 -7.134 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.684 -2.527 -5.219 1.00 0.00 C ATOM 0 H LEU A 72 -1.361 -3.230 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 72 0.505 -1.333 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.457 -1.075 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.096 -0.278 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.291 -3.279 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.583 -2.888 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.939 -2.008 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.612 -1.137 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.125 -3.350 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.236 -1.610 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.734 -2.748 -4.153 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.628 -0.344 -2.584 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.453 0.720 -2.014 1.00 0.00 C ATOM 1118 C ARG A 73 -2.987 1.127 -0.611 1.00 0.00 C ATOM 1119 O ARG A 73 -3.199 2.277 -0.220 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.937 0.312 -2.073 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.908 1.408 -1.610 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.718 2.733 -2.371 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.714 3.737 -1.980 1.00 0.00 N ATOM 1124 CZ ARG A 73 -6.738 4.417 -0.829 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -5.833 4.186 0.120 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -7.668 5.337 -0.611 1.00 0.00 N ATOM 0 H ARG A 73 -3.148 -1.181 -2.849 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.335 1.620 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.185 0.031 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.084 -0.573 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.932 1.060 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.769 1.584 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.717 3.121 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.789 2.549 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.458 3.935 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.109 3.483 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.864 4.713 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.372 5.530 -1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.680 5.852 0.270 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.383 0.215 0.159 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.882 0.543 1.487 1.00 0.00 C ATOM 1142 C GLU A 74 -0.487 1.164 1.396 1.00 0.00 C ATOM 1143 O GLU A 74 -0.129 1.975 2.255 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.781 -0.693 2.377 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.136 -1.310 2.726 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.106 -2.086 4.045 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.018 -2.590 4.418 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.156 -2.164 4.719 1.00 0.00 O ATOM 0 H GLU A 74 -2.232 -0.754 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.592 1.247 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.169 -1.442 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.265 -0.425 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.885 -0.521 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.445 -1.978 1.922 1.00 0.00 H new ATOM 1155 N LEU A 75 0.307 0.756 0.400 1.00 0.00 N ATOM 1156 CA LEU A 75 1.660 1.262 0.182 1.00 0.00 C ATOM 1157 C LEU A 75 1.564 2.748 -0.142 1.00 0.00 C ATOM 1158 O LEU A 75 2.303 3.551 0.433 1.00 0.00 O ATOM 1159 CB LEU A 75 2.394 0.507 -0.946 1.00 0.00 C ATOM 1160 CG LEU A 75 2.463 -1.021 -0.826 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.307 -1.595 -1.968 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.031 -1.489 0.509 1.00 0.00 C ATOM 0 H LEU A 75 0.021 0.056 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 75 2.245 1.103 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.908 0.752 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.413 0.889 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 75 1.438 -1.387 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.352 -2.680 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.855 -1.329 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.315 -1.184 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.054 -2.578 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.043 -1.102 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.403 -1.122 1.321 1.00 0.00 H new ATOM 1174 N GLU A 76 0.616 3.101 -1.015 1.00 0.00 N ATOM 1175 CA GLU A 76 0.344 4.467 -1.441 1.00 0.00 C ATOM 1176 C GLU A 76 -0.031 5.311 -0.218 1.00 0.00 C ATOM 1177 O GLU A 76 0.380 6.459 -0.057 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.821 4.455 -2.446 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.206 5.876 -2.883 1.00 0.00 C ATOM 1180 CD GLU A 76 -0.042 6.615 -3.537 1.00 0.00 C ATOM 1181 OE1 GLU A 76 0.479 6.090 -4.543 1.00 0.00 O ATOM 1182 OE2 GLU A 76 0.330 7.693 -3.030 1.00 0.00 O ATOM 0 H GLU A 76 -0.000 2.418 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 76 1.227 4.895 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.541 3.868 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.685 3.965 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.040 5.825 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.551 6.440 -2.016 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.838 4.733 0.670 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.287 5.417 1.865 1.00 0.00 C ATOM 1191 C ARG A 77 -0.097 5.753 2.755 1.00 0.00 C ATOM 1192 O ARG A 77 -0.063 6.861 3.289 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.326 4.567 2.607 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.269 5.480 3.395 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.991 4.720 4.505 1.00 0.00 C ATOM 1196 NE ARG A 77 -3.115 4.514 5.673 1.00 0.00 N ATOM 1197 CZ ARG A 77 -3.503 4.046 6.862 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -4.754 3.640 7.025 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -2.629 3.999 7.859 1.00 0.00 N ATOM 0 H ARG A 77 -1.193 3.782 0.575 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.768 6.354 1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.894 3.967 1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.827 3.873 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.701 6.304 3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.002 5.919 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.880 5.273 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.329 3.755 4.127 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.129 4.749 5.563 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.411 3.687 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.060 3.281 7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.671 4.319 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.915 3.643 8.771 1.00 0.00 H new ATOM 1213 N TYR A 78 0.841 4.815 2.921 1.00 0.00 N ATOM 1214 CA TYR A 78 2.025 4.997 3.746 1.00 0.00 C ATOM 1215 C TYR A 78 2.892 6.126 3.187 1.00 0.00 C ATOM 1216 O TYR A 78 3.163 7.071 3.927 1.00 0.00 O ATOM 1217 CB TYR A 78 2.764 3.664 3.905 1.00 0.00 C ATOM 1218 CG TYR A 78 3.983 3.713 4.807 1.00 0.00 C ATOM 1219 CD1 TYR A 78 3.880 4.108 6.155 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.232 3.332 4.295 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.023 4.116 6.978 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.377 3.338 5.105 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.279 3.721 6.462 1.00 0.00 C ATOM 1224 OH TYR A 78 7.386 3.717 7.257 1.00 0.00 O ATOM 0 H TYR A 78 0.792 3.898 2.477 1.00 0.00 H new ATOM 0 HA TYR A 78 1.740 5.308 4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.068 2.924 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.073 3.317 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.923 4.405 6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.313 3.029 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.940 4.426 8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.333 3.050 4.692 1.00 0.00 H new ATOM 0 HH TYR A 78 8.161 3.417 6.737 1.00 0.00 H new ATOM 1234 N VAL A 79 3.280 6.091 1.903 1.00 0.00 N ATOM 1235 CA VAL A 79 4.092 7.162 1.303 1.00 0.00 C ATOM 1236 C VAL A 79 3.395 8.510 1.497 1.00 0.00 C ATOM 1237 O VAL A 79 3.998 9.442 2.034 1.00 0.00 O ATOM 1238 CB VAL A 79 4.427 6.925 -0.187 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.329 5.709 -0.361 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.249 6.690 -1.130 1.00 0.00 C ATOM 0 H VAL A 79 3.045 5.334 1.261 1.00 0.00 H new ATOM 0 HA VAL A 79 5.050 7.162 1.824 1.00 0.00 H new ATOM 0 HB VAL A 79 4.896 7.870 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.548 5.567 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.260 5.865 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.825 4.824 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.619 6.537 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.696 5.807 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.589 7.558 -1.111 1.00 0.00 H new ATOM 1250 N THR A 80 2.101 8.584 1.174 1.00 0.00 N ATOM 1251 CA THR A 80 1.294 9.786 1.310 1.00 0.00 C ATOM 1252 C THR A 80 1.259 10.263 2.777 1.00 0.00 C ATOM 1253 O THR A 80 1.005 11.435 3.034 1.00 0.00 O ATOM 1254 CB THR A 80 -0.115 9.471 0.756 1.00 0.00 C ATOM 1255 OG1 THR A 80 -0.065 9.191 -0.628 1.00 0.00 O ATOM 1256 CG2 THR A 80 -1.117 10.622 0.863 1.00 0.00 C ATOM 0 H THR A 80 1.580 7.789 0.803 1.00 0.00 H new ATOM 0 HA THR A 80 1.726 10.609 0.741 1.00 0.00 H new ATOM 0 HB THR A 80 -0.439 8.629 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.094 8.233 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.076 10.309 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.245 10.897 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.745 11.481 0.305 1.00 0.00 H new ATOM 1264 N SER A 81 1.518 9.396 3.760 1.00 0.00 N ATOM 1265 CA SER A 81 1.492 9.745 5.174 1.00 0.00 C ATOM 1266 C SER A 81 2.848 10.249 5.686 1.00 0.00 C ATOM 1267 O SER A 81 2.897 10.983 6.681 1.00 0.00 O ATOM 1268 CB SER A 81 1.010 8.526 5.987 1.00 0.00 C ATOM 1269 OG SER A 81 0.339 8.906 7.174 1.00 0.00 O ATOM 0 H SER A 81 1.755 8.419 3.588 1.00 0.00 H new ATOM 0 HA SER A 81 0.796 10.574 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.343 7.922 5.372 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.865 7.899 6.240 1.00 0.00 H new ATOM 0 HG SER A 81 0.050 8.104 7.657 1.00 0.00 H new ATOM 1275 N CYS A 82 3.946 9.854 5.039 1.00 0.00 N ATOM 1276 CA CYS A 82 5.297 10.258 5.415 1.00 0.00 C ATOM 1277 C CYS A 82 5.730 11.505 4.642 1.00 0.00 C ATOM 1278 O CYS A 82 6.491 12.315 5.178 1.00 0.00 O ATOM 1279 CB CYS A 82 6.258 9.088 5.163 1.00 0.00 C ATOM 1280 SG CYS A 82 5.906 7.772 6.377 1.00 0.00 S ATOM 0 H CYS A 82 3.919 9.236 4.228 1.00 0.00 H new ATOM 0 HA CYS A 82 5.316 10.514 6.474 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.135 8.709 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.292 9.421 5.255 1.00 0.00 H new ATOM 0 HG CYS A 82 6.710 6.770 6.177 1.00 0.00 H new ATOM 1286 N LEU A 83 5.250 11.668 3.410 1.00 0.00 N ATOM 1287 CA LEU A 83 5.574 12.797 2.549 1.00 0.00 C ATOM 1288 C LEU A 83 4.662 13.985 2.822 1.00 0.00 C ATOM 1289 O LEU A 83 5.138 15.079 3.113 1.00 0.00 O ATOM 1290 CB LEU A 83 5.457 12.390 1.066 1.00 0.00 C ATOM 1291 CG LEU A 83 6.493 11.340 0.628 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.164 10.838 -0.775 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.918 11.908 0.590 1.00 0.00 C ATOM 0 H LEU A 83 4.611 11.002 2.976 1.00 0.00 H new ATOM 0 HA LEU A 83 6.600 13.093 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.456 11.998 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.569 13.279 0.445 1.00 0.00 H new ATOM 0 HG LEU A 83 6.449 10.535 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.902 10.095 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.172 10.386 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.183 11.674 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.612 11.129 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.960 12.738 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.195 12.261 1.583 1.00 0.00 H new