USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 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+ -170:sc=-0.00295 (180deg=-0.107) USER MOD Single : A 18 MET CE :methyl 164:sc= -0.012 (180deg=-0.631) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.16) USER MOD Single : A 25 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.03 X(o=-1,f=-0.85) USER MOD Single : A 47 SER OG : rot -143:sc= 0.463 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.614 K(o=-0.61,f=-1.7) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00348) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 110:sc= -0.0236 USER MOD Single : A 80 THR OG1 : rot 63:sc= 0.942 USER MOD Single : A 81 SER OG : rot 95:sc= 1.21 USER MOD Single : A 82 CYS SG : rot 168:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.846 -0.033 -5.013 1.00 0.00 N ATOM 183 CA LYS A 16 -9.877 0.398 -6.403 1.00 0.00 C ATOM 184 C LYS A 16 -8.744 -0.259 -7.180 1.00 0.00 C ATOM 185 O LYS A 16 -7.759 -0.673 -6.568 1.00 0.00 O ATOM 186 CB LYS A 16 -9.706 1.924 -6.451 1.00 0.00 C ATOM 187 CG LYS A 16 -10.966 2.620 -5.937 1.00 0.00 C ATOM 188 CD LYS A 16 -10.990 4.103 -6.304 1.00 0.00 C ATOM 189 CE LYS A 16 -12.276 4.767 -5.804 1.00 0.00 C ATOM 190 NZ LYS A 16 -13.492 4.253 -6.468 1.00 0.00 N ATOM 0 HA LYS A 16 -10.828 0.110 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.848 2.219 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.500 2.241 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.846 2.129 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.023 2.513 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.125 4.604 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.914 4.216 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.363 4.611 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.209 5.843 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.305 4.851 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.357 4.269 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.671 3.277 -6.157 1.00 0.00 H new ATOM 204 N PRO A 17 -8.872 -0.397 -8.509 1.00 0.00 N ATOM 205 CA PRO A 17 -7.827 -0.974 -9.344 1.00 0.00 C ATOM 206 C PRO A 17 -6.660 0.021 -9.401 1.00 0.00 C ATOM 207 O PRO A 17 -6.815 1.189 -9.039 1.00 0.00 O ATOM 208 CB PRO A 17 -8.474 -1.164 -10.716 1.00 0.00 C ATOM 209 CG PRO A 17 -9.475 -0.013 -10.760 1.00 0.00 C ATOM 210 CD PRO A 17 -9.989 0.041 -9.331 1.00 0.00 C ATOM 0 HA PRO A 17 -7.436 -1.921 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.744 -1.100 -11.523 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.964 -2.134 -10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.002 0.923 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.278 -0.203 -11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.304 1.050 -9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.854 -0.609 -9.199 1.00 0.00 H new ATOM 218 N MET A 18 -5.502 -0.423 -9.889 1.00 0.00 N ATOM 219 CA MET A 18 -4.295 0.390 -9.989 1.00 0.00 C ATOM 220 C MET A 18 -3.750 0.258 -11.405 1.00 0.00 C ATOM 221 O MET A 18 -3.555 -0.861 -11.893 1.00 0.00 O ATOM 222 CB MET A 18 -3.288 -0.063 -8.923 1.00 0.00 C ATOM 223 CG MET A 18 -3.868 0.031 -7.501 1.00 0.00 C ATOM 224 SD MET A 18 -4.171 1.703 -6.883 1.00 0.00 S ATOM 225 CE MET A 18 -2.660 1.962 -5.924 1.00 0.00 C ATOM 0 H MET A 18 -5.376 -1.376 -10.232 1.00 0.00 H new ATOM 0 HA MET A 18 -4.504 1.443 -9.802 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.986 -1.091 -9.124 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.390 0.551 -8.989 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.807 -0.521 -7.475 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.184 -0.471 -6.816 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.543 3.024 -5.710 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.724 1.408 -4.988 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.801 1.610 -6.496 1.00 0.00 H new ATOM 235 N SER A 19 -3.573 1.394 -12.072 1.00 0.00 N ATOM 236 CA SER A 19 -3.074 1.499 -13.438 1.00 0.00 C ATOM 237 C SER A 19 -1.549 1.335 -13.471 1.00 0.00 C ATOM 238 O SER A 19 -0.891 1.428 -12.431 1.00 0.00 O ATOM 239 CB SER A 19 -3.470 2.885 -13.980 1.00 0.00 C ATOM 240 OG SER A 19 -4.796 3.221 -13.588 1.00 0.00 O ATOM 0 H SER A 19 -3.782 2.303 -11.659 1.00 0.00 H new ATOM 0 HA SER A 19 -3.506 0.710 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.775 3.638 -13.609 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.395 2.890 -15.067 1.00 0.00 H new ATOM 0 HG SER A 19 -5.027 4.106 -13.941 1.00 0.00 H new ATOM 246 N TYR A 20 -0.972 1.139 -14.662 1.00 0.00 N ATOM 247 CA TYR A 20 0.474 0.996 -14.834 1.00 0.00 C ATOM 248 C TYR A 20 1.185 2.228 -14.276 1.00 0.00 C ATOM 249 O TYR A 20 2.203 2.104 -13.596 1.00 0.00 O ATOM 250 CB TYR A 20 0.822 0.847 -16.325 1.00 0.00 C ATOM 251 CG TYR A 20 2.307 0.952 -16.626 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.136 -0.179 -16.518 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.870 2.199 -16.958 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.528 -0.057 -16.681 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.256 2.324 -17.146 1.00 0.00 C ATOM 256 CZ TYR A 20 5.093 1.198 -16.999 1.00 0.00 C ATOM 257 OH TYR A 20 6.437 1.328 -17.110 1.00 0.00 O ATOM 0 H TYR A 20 -1.498 1.075 -15.534 1.00 0.00 H new ATOM 0 HA TYR A 20 0.801 0.106 -14.297 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.457 -0.118 -16.678 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.292 1.614 -16.890 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.702 -1.146 -16.309 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.233 3.064 -17.069 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.164 -0.922 -16.563 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.681 3.283 -17.403 1.00 0.00 H new ATOM 0 HH TYR A 20 6.658 2.256 -17.334 1.00 0.00 H new ATOM 267 N GLU A 21 0.630 3.406 -14.557 1.00 0.00 N ATOM 268 CA GLU A 21 1.172 4.685 -14.133 1.00 0.00 C ATOM 269 C GLU A 21 1.129 4.846 -12.619 1.00 0.00 C ATOM 270 O GLU A 21 2.068 5.404 -12.062 1.00 0.00 O ATOM 271 CB GLU A 21 0.431 5.816 -14.858 1.00 0.00 C ATOM 272 CG GLU A 21 0.700 5.705 -16.365 1.00 0.00 C ATOM 273 CD GLU A 21 0.175 6.899 -17.149 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.023 6.893 -17.514 1.00 0.00 O ATOM 275 OE2 GLU A 21 0.968 7.808 -17.486 1.00 0.00 O ATOM 0 H GLU A 21 -0.230 3.494 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 21 2.226 4.730 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.639 5.752 -14.661 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.766 6.784 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.773 5.611 -16.532 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.237 4.795 -16.746 1.00 0.00 H new ATOM 282 N GLU A 22 0.092 4.339 -11.947 1.00 0.00 N ATOM 283 CA GLU A 22 -0.010 4.441 -10.493 1.00 0.00 C ATOM 284 C GLU A 22 1.075 3.554 -9.898 1.00 0.00 C ATOM 285 O GLU A 22 1.781 3.949 -8.971 1.00 0.00 O ATOM 286 CB GLU A 22 -1.385 3.962 -9.993 1.00 0.00 C ATOM 287 CG GLU A 22 -2.560 4.749 -10.567 1.00 0.00 C ATOM 288 CD GLU A 22 -2.566 6.215 -10.136 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.018 7.053 -10.884 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.253 6.561 -9.147 1.00 0.00 O ATOM 0 H GLU A 22 -0.689 3.854 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 22 0.110 5.482 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.507 2.909 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.410 4.032 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.528 4.696 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.492 4.280 -10.252 1.00 0.00 H new ATOM 297 N LYS A 23 1.208 2.332 -10.427 1.00 0.00 N ATOM 298 CA LYS A 23 2.205 1.367 -9.983 1.00 0.00 C ATOM 299 C LYS A 23 3.598 1.995 -10.125 1.00 0.00 C ATOM 300 O LYS A 23 4.432 1.854 -9.231 1.00 0.00 O ATOM 301 CB LYS A 23 2.079 0.105 -10.847 1.00 0.00 C ATOM 302 CG LYS A 23 0.864 -0.749 -10.471 1.00 0.00 C ATOM 303 CD LYS A 23 0.513 -1.704 -11.613 1.00 0.00 C ATOM 304 CE LYS A 23 -0.665 -2.604 -11.217 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.337 -4.038 -11.339 1.00 0.00 N ATOM 0 H LYS A 23 0.617 1.987 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 23 2.051 1.096 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.005 0.393 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.984 -0.493 -10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.076 -1.317 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.012 -0.105 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.259 -1.134 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.379 -2.317 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.957 -2.386 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.524 -2.374 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.116 -4.607 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.199 -4.279 -12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.536 -4.241 -10.811 1.00 0.00 H new ATOM 319 N ARG A 24 3.872 2.674 -11.246 1.00 0.00 N ATOM 320 CA ARG A 24 5.166 3.309 -11.461 1.00 0.00 C ATOM 321 C ARG A 24 5.343 4.503 -10.540 1.00 0.00 C ATOM 322 O ARG A 24 6.326 4.515 -9.811 1.00 0.00 O ATOM 323 CB ARG A 24 5.379 3.730 -12.921 1.00 0.00 C ATOM 324 CG ARG A 24 5.599 2.577 -13.910 1.00 0.00 C ATOM 325 CD ARG A 24 6.812 1.677 -13.617 1.00 0.00 C ATOM 326 NE ARG A 24 8.073 2.340 -13.957 1.00 0.00 N ATOM 327 CZ ARG A 24 9.300 2.020 -13.544 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.511 0.970 -12.764 1.00 0.00 N ATOM 329 NH2 ARG A 24 10.323 2.777 -13.909 1.00 0.00 N ATOM 0 H ARG A 24 3.212 2.794 -12.014 1.00 0.00 H new ATOM 0 HA ARG A 24 5.923 2.561 -11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.512 4.306 -13.246 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.240 4.397 -12.968 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.703 1.957 -13.923 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.712 2.996 -14.910 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.817 1.405 -12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.723 0.751 -14.184 1.00 0.00 H new ATOM 0 HE ARG A 24 8.005 3.142 -14.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.727 0.389 -12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.458 0.743 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.168 3.594 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.266 2.543 -13.600 1.00 0.00 H new ATOM 343 N GLN A 25 4.433 5.477 -10.525 1.00 0.00 N ATOM 344 CA GLN A 25 4.555 6.660 -9.676 1.00 0.00 C ATOM 345 C GLN A 25 4.783 6.283 -8.208 1.00 0.00 C ATOM 346 O GLN A 25 5.569 6.938 -7.518 1.00 0.00 O ATOM 347 CB GLN A 25 3.328 7.561 -9.871 1.00 0.00 C ATOM 348 CG GLN A 25 3.446 8.876 -9.088 1.00 0.00 C ATOM 349 CD GLN A 25 4.642 9.728 -9.540 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.712 10.187 -10.680 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.626 9.935 -8.681 1.00 0.00 N ATOM 0 H GLN A 25 3.591 5.467 -11.101 1.00 0.00 H new ATOM 0 HA GLN A 25 5.438 7.224 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.205 7.781 -10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.433 7.028 -9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.528 9.451 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.544 8.654 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.567 9.554 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.444 10.475 -8.963 1.00 0.00 H new ATOM 360 N LEU A 26 4.131 5.221 -7.730 1.00 0.00 N ATOM 361 CA LEU A 26 4.295 4.765 -6.359 1.00 0.00 C ATOM 362 C LEU A 26 5.757 4.370 -6.120 1.00 0.00 C ATOM 363 O LEU A 26 6.282 4.616 -5.040 1.00 0.00 O ATOM 364 CB LEU A 26 3.344 3.591 -6.105 1.00 0.00 C ATOM 365 CG LEU A 26 3.213 3.202 -4.624 1.00 0.00 C ATOM 366 CD1 LEU A 26 2.257 4.155 -3.911 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.656 1.789 -4.443 1.00 0.00 C ATOM 0 H LEU A 26 3.481 4.661 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 26 4.047 5.564 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.357 3.846 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.693 2.725 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 26 4.218 3.254 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.173 3.869 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.640 5.173 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.275 4.104 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.582 1.560 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.667 1.727 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.321 1.071 -4.923 1.00 0.00 H new ATOM 379 N SER A 27 6.423 3.764 -7.103 1.00 0.00 N ATOM 380 CA SER A 27 7.819 3.352 -7.009 1.00 0.00 C ATOM 381 C SER A 27 8.690 4.585 -6.765 1.00 0.00 C ATOM 382 O SER A 27 9.580 4.564 -5.910 1.00 0.00 O ATOM 383 CB SER A 27 8.222 2.650 -8.313 1.00 0.00 C ATOM 384 OG SER A 27 9.500 2.054 -8.271 1.00 0.00 O ATOM 0 H SER A 27 5.997 3.543 -8.003 1.00 0.00 H new ATOM 0 HA SER A 27 7.956 2.658 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.482 1.884 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.197 3.375 -9.127 1.00 0.00 H new ATOM 0 HG SER A 27 9.689 1.625 -9.132 1.00 0.00 H new ATOM 390 N LEU A 28 8.430 5.680 -7.488 1.00 0.00 N ATOM 391 CA LEU A 28 9.190 6.905 -7.352 1.00 0.00 C ATOM 392 C LEU A 28 9.081 7.455 -5.933 1.00 0.00 C ATOM 393 O LEU A 28 10.130 7.735 -5.353 1.00 0.00 O ATOM 394 CB LEU A 28 8.750 7.939 -8.393 1.00 0.00 C ATOM 395 CG LEU A 28 9.199 7.700 -9.847 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.723 7.627 -9.971 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.574 6.481 -10.529 1.00 0.00 C ATOM 0 H LEU A 28 7.684 5.731 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 28 10.240 6.680 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.661 7.992 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.121 8.915 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 28 8.823 8.575 -10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.996 7.457 -11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.161 8.565 -9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.099 6.807 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.953 6.400 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.833 5.580 -9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.490 6.594 -10.554 1.00 0.00 H new ATOM 409 N ASP A 29 7.870 7.585 -5.370 1.00 0.00 N ATOM 410 CA ASP A 29 7.716 8.103 -3.998 1.00 0.00 C ATOM 411 C ASP A 29 8.269 7.100 -2.981 1.00 0.00 C ATOM 412 O ASP A 29 8.795 7.511 -1.948 1.00 0.00 O ATOM 413 CB ASP A 29 6.262 8.508 -3.641 1.00 0.00 C ATOM 414 CG ASP A 29 6.035 10.032 -3.564 1.00 0.00 C ATOM 415 OD1 ASP A 29 7.015 10.824 -3.491 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.862 10.453 -3.593 1.00 0.00 O ATOM 0 H ASP A 29 6.994 7.343 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 29 8.299 9.023 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.586 8.088 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.997 8.063 -2.682 1.00 0.00 H new ATOM 421 N ILE A 30 8.197 5.791 -3.256 1.00 0.00 N ATOM 422 CA ILE A 30 8.725 4.754 -2.368 1.00 0.00 C ATOM 423 C ILE A 30 10.236 4.976 -2.260 1.00 0.00 C ATOM 424 O ILE A 30 10.797 4.870 -1.172 1.00 0.00 O ATOM 425 CB ILE A 30 8.328 3.338 -2.879 1.00 0.00 C ATOM 426 CG1 ILE A 30 6.979 2.938 -2.238 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.387 2.248 -2.630 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.322 1.700 -2.862 1.00 0.00 C ATOM 0 H ILE A 30 7.768 5.423 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 30 8.296 4.819 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 30 8.244 3.406 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.136 2.754 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.290 3.779 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.027 1.295 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.314 2.519 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.571 2.158 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.381 1.491 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.129 1.884 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.988 0.844 -2.759 1.00 0.00 H new ATOM 440 N ASN A 31 10.899 5.324 -3.368 1.00 0.00 N ATOM 441 CA ASN A 31 12.336 5.577 -3.382 1.00 0.00 C ATOM 442 C ASN A 31 12.693 6.815 -2.557 1.00 0.00 C ATOM 443 O ASN A 31 13.871 7.016 -2.267 1.00 0.00 O ATOM 444 CB ASN A 31 12.860 5.716 -4.819 1.00 0.00 C ATOM 445 CG ASN A 31 13.219 4.364 -5.399 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.385 3.979 -5.418 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.249 3.614 -5.886 1.00 0.00 N ATOM 0 H ASN A 31 10.451 5.437 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 31 12.822 4.716 -2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.103 6.193 -5.441 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.736 6.364 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.463 2.700 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.286 3.948 -5.863 1.00 0.00 H new ATOM 454 N LYS A 32 11.733 7.674 -2.197 1.00 0.00 N ATOM 455 CA LYS A 32 12.012 8.857 -1.383 1.00 0.00 C ATOM 456 C LYS A 32 12.126 8.455 0.089 1.00 0.00 C ATOM 457 O LYS A 32 12.337 9.327 0.932 1.00 0.00 O ATOM 458 CB LYS A 32 10.930 9.939 -1.563 1.00 0.00 C ATOM 459 CG LYS A 32 10.667 10.325 -3.024 1.00 0.00 C ATOM 460 CD LYS A 32 11.781 11.150 -3.678 1.00 0.00 C ATOM 461 CE LYS A 32 11.365 12.606 -3.911 1.00 0.00 C ATOM 462 NZ LYS A 32 11.263 13.400 -2.668 1.00 0.00 N ATOM 0 H LYS A 32 10.753 7.569 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 32 12.958 9.284 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.000 9.585 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.227 10.830 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.518 9.415 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.737 10.891 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.668 11.125 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.055 10.696 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.087 13.079 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.403 12.622 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.978 14.373 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.553 12.972 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.186 13.415 -2.189 1.00 0.00 H new ATOM 476 N LEU A 33 11.883 7.194 0.450 1.00 0.00 N ATOM 477 CA LEU A 33 11.986 6.729 1.821 1.00 0.00 C ATOM 478 C LEU A 33 13.431 6.294 2.068 1.00 0.00 C ATOM 479 O LEU A 33 14.050 5.710 1.178 1.00 0.00 O ATOM 480 CB LEU A 33 11.059 5.530 2.056 1.00 0.00 C ATOM 481 CG LEU A 33 9.570 5.915 2.046 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.738 4.663 1.770 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.165 6.543 3.390 1.00 0.00 C ATOM 0 H LEU A 33 11.608 6.467 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 33 11.696 7.532 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.241 4.780 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.304 5.070 3.013 1.00 0.00 H new ATOM 0 HG LEU A 33 9.391 6.653 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.680 4.924 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.018 4.246 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.922 3.924 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.108 6.809 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.339 5.827 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.760 7.439 3.567 1.00 0.00 H new ATOM 495 N PRO A 34 13.981 6.557 3.261 1.00 0.00 N ATOM 496 CA PRO A 34 15.340 6.155 3.594 1.00 0.00 C ATOM 497 C PRO A 34 15.398 4.639 3.807 1.00 0.00 C ATOM 498 O PRO A 34 14.367 4.029 4.101 1.00 0.00 O ATOM 499 CB PRO A 34 15.619 6.861 4.920 1.00 0.00 C ATOM 500 CG PRO A 34 14.252 6.962 5.576 1.00 0.00 C ATOM 501 CD PRO A 34 13.349 7.240 4.382 1.00 0.00 C ATOM 0 HA PRO A 34 16.056 6.408 2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.316 6.293 5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.060 7.845 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.977 6.041 6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.211 7.763 6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.340 6.864 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.263 8.310 4.194 1.00 0.00 H new ATOM 509 N GLY A 35 16.593 4.041 3.750 1.00 0.00 N ATOM 510 CA GLY A 35 16.775 2.609 3.966 1.00 0.00 C ATOM 511 C GLY A 35 16.217 2.219 5.335 1.00 0.00 C ATOM 512 O GLY A 35 15.458 1.256 5.443 1.00 0.00 O ATOM 0 H GLY A 35 17.460 4.541 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.268 2.046 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.833 2.354 3.908 1.00 0.00 H new ATOM 516 N GLU A 36 16.474 3.048 6.358 1.00 0.00 N ATOM 517 CA GLU A 36 16.001 2.834 7.727 1.00 0.00 C ATOM 518 C GLU A 36 14.466 2.733 7.823 1.00 0.00 C ATOM 519 O GLU A 36 13.947 2.272 8.844 1.00 0.00 O ATOM 520 CB GLU A 36 16.543 3.923 8.672 1.00 0.00 C ATOM 521 CG GLU A 36 16.244 5.360 8.222 1.00 0.00 C ATOM 522 CD GLU A 36 16.141 6.327 9.400 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.191 6.731 9.946 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.020 6.683 9.824 1.00 0.00 O ATOM 0 H GLU A 36 17.026 3.899 6.252 1.00 0.00 H new ATOM 0 HA GLU A 36 16.394 1.868 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.118 3.770 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.622 3.802 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.029 5.697 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.310 5.375 7.660 1.00 0.00 H new ATOM 531 N LYS A 37 13.720 3.198 6.810 1.00 0.00 N ATOM 532 CA LYS A 37 12.255 3.121 6.776 1.00 0.00 C ATOM 533 C LYS A 37 11.768 2.226 5.638 1.00 0.00 C ATOM 534 O LYS A 37 10.598 1.846 5.637 1.00 0.00 O ATOM 535 CB LYS A 37 11.624 4.513 6.710 1.00 0.00 C ATOM 536 CG LYS A 37 12.011 5.342 7.944 1.00 0.00 C ATOM 537 CD LYS A 37 11.433 6.754 7.914 1.00 0.00 C ATOM 538 CE LYS A 37 9.951 6.709 8.302 1.00 0.00 C ATOM 539 NZ LYS A 37 9.492 8.014 8.798 1.00 0.00 N ATOM 0 H LYS A 37 14.122 3.642 5.984 1.00 0.00 H new ATOM 0 HA LYS A 37 11.929 2.662 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.952 5.024 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.539 4.424 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.664 4.831 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.097 5.401 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.981 7.397 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.546 7.184 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.355 6.415 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.796 5.950 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.486 7.954 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.046 8.281 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.619 8.732 8.056 1.00 0.00 H new ATOM 553 N LEU A 38 12.621 1.866 4.677 1.00 0.00 N ATOM 554 CA LEU A 38 12.255 1.011 3.556 1.00 0.00 C ATOM 555 C LEU A 38 11.789 -0.344 4.089 1.00 0.00 C ATOM 556 O LEU A 38 10.788 -0.866 3.611 1.00 0.00 O ATOM 557 CB LEU A 38 13.422 0.911 2.568 1.00 0.00 C ATOM 558 CG LEU A 38 13.117 0.048 1.330 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.984 0.629 0.471 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.382 -0.076 0.472 1.00 0.00 C ATOM 0 H LEU A 38 13.596 2.166 4.659 1.00 0.00 H new ATOM 0 HA LEU A 38 11.422 1.440 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.696 1.914 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.288 0.496 3.084 1.00 0.00 H new ATOM 0 HG LEU A 38 12.792 -0.929 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.810 -0.019 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.073 0.694 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.263 1.624 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.168 -0.687 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.705 0.915 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.174 -0.545 1.056 1.00 0.00 H new ATOM 572 N GLY A 39 12.423 -0.876 5.141 1.00 0.00 N ATOM 573 CA GLY A 39 12.020 -2.154 5.727 1.00 0.00 C ATOM 574 C GLY A 39 10.554 -2.127 6.195 1.00 0.00 C ATOM 575 O GLY A 39 9.893 -3.165 6.242 1.00 0.00 O ATOM 0 H GLY A 39 13.219 -0.437 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.154 -2.949 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.668 -2.388 6.572 1.00 0.00 H new ATOM 579 N ARG A 40 10.010 -0.951 6.546 1.00 0.00 N ATOM 580 CA ARG A 40 8.620 -0.822 6.979 1.00 0.00 C ATOM 581 C ARG A 40 7.680 -1.126 5.815 1.00 0.00 C ATOM 582 O ARG A 40 6.613 -1.704 6.023 1.00 0.00 O ATOM 583 CB ARG A 40 8.352 0.604 7.505 1.00 0.00 C ATOM 584 CG ARG A 40 7.016 0.731 8.254 1.00 0.00 C ATOM 585 CD ARG A 40 7.059 0.090 9.637 1.00 0.00 C ATOM 586 NE ARG A 40 5.714 -0.035 10.219 1.00 0.00 N ATOM 587 CZ ARG A 40 4.944 -1.129 10.226 1.00 0.00 C ATOM 588 NH1 ARG A 40 5.384 -2.267 9.700 1.00 0.00 N ATOM 589 NH2 ARG A 40 3.729 -1.100 10.760 1.00 0.00 N ATOM 0 H ARG A 40 10.523 -0.070 6.536 1.00 0.00 H new ATOM 0 HA ARG A 40 8.439 -1.535 7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.164 0.897 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.359 1.301 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.758 1.785 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.227 0.264 7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.519 -0.896 9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.687 0.689 10.297 1.00 0.00 H new ATOM 0 HE ARG A 40 5.329 0.798 10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.315 -2.311 9.287 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.790 -3.096 9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.373 -0.237 11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.151 -1.941 10.759 1.00 0.00 H new ATOM 603 N VAL A 41 8.055 -0.703 4.606 1.00 0.00 N ATOM 604 CA VAL A 41 7.304 -0.894 3.375 1.00 0.00 C ATOM 605 C VAL A 41 7.037 -2.385 3.186 1.00 0.00 C ATOM 606 O VAL A 41 5.877 -2.769 3.067 1.00 0.00 O ATOM 607 CB VAL A 41 8.072 -0.268 2.190 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.278 -0.287 0.884 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.439 1.202 2.465 1.00 0.00 C ATOM 0 H VAL A 41 8.928 -0.197 4.458 1.00 0.00 H new ATOM 0 HA VAL A 41 6.340 -0.388 3.426 1.00 0.00 H new ATOM 0 HB VAL A 41 8.965 -0.884 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.872 0.167 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.042 -1.317 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.353 0.276 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.978 1.609 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.529 1.780 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.070 1.260 3.352 1.00 0.00 H new ATOM 619 N VAL A 42 8.075 -3.222 3.242 1.00 0.00 N ATOM 620 CA VAL A 42 7.974 -4.669 3.067 1.00 0.00 C ATOM 621 C VAL A 42 6.941 -5.300 4.008 1.00 0.00 C ATOM 622 O VAL A 42 6.197 -6.194 3.596 1.00 0.00 O ATOM 623 CB VAL A 42 9.363 -5.310 3.242 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.292 -6.822 2.986 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.414 -4.671 2.322 1.00 0.00 C ATOM 0 H VAL A 42 9.029 -2.904 3.414 1.00 0.00 H new ATOM 0 HA VAL A 42 7.619 -4.863 2.055 1.00 0.00 H new ATOM 0 HB VAL A 42 9.672 -5.131 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.282 -7.260 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.599 -7.279 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.944 -7.003 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.378 -5.155 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.111 -4.796 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.499 -3.609 2.550 1.00 0.00 H new ATOM 635 N HIS A 43 6.816 -4.802 5.242 1.00 0.00 N ATOM 636 CA HIS A 43 5.867 -5.338 6.211 1.00 0.00 C ATOM 637 C HIS A 43 4.426 -5.254 5.693 1.00 0.00 C ATOM 638 O HIS A 43 3.582 -6.055 6.109 1.00 0.00 O ATOM 639 CB HIS A 43 6.006 -4.629 7.565 1.00 0.00 C ATOM 640 CG HIS A 43 6.619 -5.483 8.647 1.00 0.00 C ATOM 641 ND1 HIS A 43 6.011 -6.515 9.321 1.00 0.00 N ATOM 642 CD2 HIS A 43 7.878 -5.353 9.154 1.00 0.00 C ATOM 643 CE1 HIS A 43 6.888 -7.008 10.209 1.00 0.00 C ATOM 644 NE2 HIS A 43 8.033 -6.310 10.166 1.00 0.00 N ATOM 0 H HIS A 43 7.369 -4.020 5.592 1.00 0.00 H new ATOM 0 HA HIS A 43 6.103 -6.392 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.615 -3.735 7.434 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.020 -4.298 7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.623 -4.640 8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.699 -7.846 10.864 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.855 -6.449 10.754 1.00 0.00 H new ATOM 652 N ILE A 44 4.122 -4.282 4.827 1.00 0.00 N ATOM 653 CA ILE A 44 2.792 -4.122 4.257 1.00 0.00 C ATOM 654 C ILE A 44 2.565 -5.324 3.339 1.00 0.00 C ATOM 655 O ILE A 44 1.562 -6.025 3.480 1.00 0.00 O ATOM 656 CB ILE A 44 2.678 -2.758 3.542 1.00 0.00 C ATOM 657 CG1 ILE A 44 2.848 -1.607 4.562 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.333 -2.623 2.808 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.170 -0.246 3.935 1.00 0.00 C ATOM 0 H ILE A 44 4.795 -3.587 4.505 1.00 0.00 H new ATOM 0 HA ILE A 44 2.010 -4.108 5.017 1.00 0.00 H new ATOM 0 HB ILE A 44 3.473 -2.699 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.932 -1.517 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.644 -1.870 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.283 -1.652 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.244 -3.414 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.517 -2.708 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.272 0.502 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.103 -0.315 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.364 0.044 3.261 1.00 0.00 H new ATOM 671 N ILE A 45 3.494 -5.597 2.414 1.00 0.00 N ATOM 672 CA ILE A 45 3.367 -6.728 1.506 1.00 0.00 C ATOM 673 C ILE A 45 3.302 -8.019 2.326 1.00 0.00 C ATOM 674 O ILE A 45 2.436 -8.845 2.048 1.00 0.00 O ATOM 675 CB ILE A 45 4.458 -6.769 0.409 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.523 -5.482 -0.449 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.105 -7.941 -0.519 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.577 -4.492 0.046 1.00 0.00 C ATOM 0 H ILE A 45 4.341 -5.045 2.280 1.00 0.00 H new ATOM 0 HA ILE A 45 2.438 -6.613 0.948 1.00 0.00 H new ATOM 0 HB ILE A 45 5.427 -6.872 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.741 -5.751 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.546 -4.998 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.848 -8.013 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.095 -8.868 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.121 -7.775 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.577 -3.610 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.347 -4.198 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.560 -4.962 0.016 1.00 0.00 H new ATOM 690 N GLN A 46 4.114 -8.181 3.377 1.00 0.00 N ATOM 691 CA GLN A 46 4.086 -9.383 4.210 1.00 0.00 C ATOM 692 C GLN A 46 2.696 -9.626 4.818 1.00 0.00 C ATOM 693 O GLN A 46 2.361 -10.762 5.163 1.00 0.00 O ATOM 694 CB GLN A 46 5.085 -9.273 5.360 1.00 0.00 C ATOM 695 CG GLN A 46 6.564 -9.414 4.972 1.00 0.00 C ATOM 696 CD GLN A 46 7.432 -9.579 6.224 1.00 0.00 C ATOM 697 OE1 GLN A 46 6.960 -9.420 7.355 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.687 -9.957 6.056 1.00 0.00 N ATOM 0 H GLN A 46 4.802 -7.488 3.670 1.00 0.00 H new ATOM 0 HA GLN A 46 4.348 -10.214 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.946 -8.307 5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.847 -10.039 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.694 -10.275 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.885 -8.535 4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.060 -10.083 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.283 -10.122 6.867 1.00 0.00 H new ATOM 707 N SER A 47 1.887 -8.580 5.020 1.00 0.00 N ATOM 708 CA SER A 47 0.551 -8.749 5.568 1.00 0.00 C ATOM 709 C SER A 47 -0.389 -9.302 4.492 1.00 0.00 C ATOM 710 O SER A 47 -1.409 -9.917 4.806 1.00 0.00 O ATOM 711 CB SER A 47 0.045 -7.409 6.129 1.00 0.00 C ATOM 712 OG SER A 47 -1.199 -7.578 6.786 1.00 0.00 O ATOM 0 H SER A 47 2.139 -7.614 4.811 1.00 0.00 H new ATOM 0 HA SER A 47 0.578 -9.467 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.777 -7.001 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.061 -6.687 5.319 1.00 0.00 H new ATOM 0 HG SER A 47 -1.766 -6.796 6.619 1.00 0.00 H new ATOM 718 N ARG A 48 -0.090 -9.068 3.215 1.00 0.00 N ATOM 719 CA ARG A 48 -0.905 -9.520 2.096 1.00 0.00 C ATOM 720 C ARG A 48 -0.457 -10.873 1.573 1.00 0.00 C ATOM 721 O ARG A 48 -1.319 -11.684 1.230 1.00 0.00 O ATOM 722 CB ARG A 48 -0.883 -8.469 0.978 1.00 0.00 C ATOM 723 CG ARG A 48 -1.238 -7.048 1.450 1.00 0.00 C ATOM 724 CD ARG A 48 -2.630 -6.864 2.056 1.00 0.00 C ATOM 725 NE ARG A 48 -2.726 -7.262 3.468 1.00 0.00 N ATOM 726 CZ ARG A 48 -3.860 -7.467 4.149 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.044 -7.219 3.596 1.00 0.00 N ATOM 728 NH2 ARG A 48 -3.789 -7.922 5.392 1.00 0.00 N ATOM 0 H ARG A 48 0.740 -8.550 2.928 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.927 -9.642 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.109 -8.454 0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.584 -8.768 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.499 -6.738 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.142 -6.371 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.919 -5.817 1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.347 -7.445 1.476 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.850 -7.394 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.097 -6.868 2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.899 -7.380 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.880 -8.110 5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.643 -8.084 5.925 1.00 0.00 H new ATOM 742 N GLU A 49 0.849 -11.127 1.569 1.00 0.00 N ATOM 743 CA GLU A 49 1.485 -12.345 1.093 1.00 0.00 C ATOM 744 C GLU A 49 1.919 -13.181 2.306 1.00 0.00 C ATOM 745 O GLU A 49 3.060 -13.055 2.761 1.00 0.00 O ATOM 746 CB GLU A 49 2.694 -12.014 0.191 1.00 0.00 C ATOM 747 CG GLU A 49 2.455 -10.990 -0.926 1.00 0.00 C ATOM 748 CD GLU A 49 1.280 -11.313 -1.849 1.00 0.00 C ATOM 749 OE1 GLU A 49 1.445 -12.180 -2.745 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.198 -10.696 -1.716 1.00 0.00 O ATOM 0 H GLU A 49 1.526 -10.449 1.918 1.00 0.00 H new ATOM 0 HA GLU A 49 0.777 -12.917 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.501 -11.646 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.043 -12.940 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.286 -10.013 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.361 -10.911 -1.527 1.00 0.00 H new ATOM 757 N PRO A 50 1.072 -14.077 2.844 1.00 0.00 N ATOM 758 CA PRO A 50 1.443 -14.880 4.006 1.00 0.00 C ATOM 759 C PRO A 50 2.669 -15.764 3.743 1.00 0.00 C ATOM 760 O PRO A 50 3.409 -16.053 4.682 1.00 0.00 O ATOM 761 CB PRO A 50 0.192 -15.685 4.375 1.00 0.00 C ATOM 762 CG PRO A 50 -0.615 -15.723 3.078 1.00 0.00 C ATOM 763 CD PRO A 50 -0.293 -14.374 2.444 1.00 0.00 C ATOM 0 HA PRO A 50 1.754 -14.248 4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.448 -16.688 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.367 -15.208 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.315 -16.553 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.682 -15.837 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.384 -14.418 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.981 -13.603 2.790 1.00 0.00 H new ATOM 771 N SER A 51 2.918 -16.152 2.487 1.00 0.00 N ATOM 772 CA SER A 51 4.053 -16.983 2.106 1.00 0.00 C ATOM 773 C SER A 51 5.385 -16.230 2.246 1.00 0.00 C ATOM 774 O SER A 51 6.429 -16.866 2.382 1.00 0.00 O ATOM 775 CB SER A 51 3.836 -17.443 0.655 1.00 0.00 C ATOM 776 OG SER A 51 4.601 -18.591 0.328 1.00 0.00 O ATOM 0 H SER A 51 2.325 -15.891 1.699 1.00 0.00 H new ATOM 0 HA SER A 51 4.113 -17.843 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.779 -17.659 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.098 -16.631 -0.023 1.00 0.00 H new ATOM 0 HG SER A 51 4.428 -18.845 -0.603 1.00 0.00 H new ATOM 782 N LEU A 52 5.375 -14.894 2.238 1.00 0.00 N ATOM 783 CA LEU A 52 6.571 -14.054 2.341 1.00 0.00 C ATOM 784 C LEU A 52 6.709 -13.418 3.725 1.00 0.00 C ATOM 785 O LEU A 52 7.704 -12.755 4.002 1.00 0.00 O ATOM 786 CB LEU A 52 6.510 -12.982 1.230 1.00 0.00 C ATOM 787 CG LEU A 52 7.003 -13.426 -0.164 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.400 -14.058 -0.185 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.049 -14.420 -0.837 1.00 0.00 C ATOM 0 H LEU A 52 4.514 -14.354 2.158 1.00 0.00 H new ATOM 0 HA LEU A 52 7.457 -14.675 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.479 -12.641 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.103 -12.124 1.547 1.00 0.00 H new ATOM 0 HG LEU A 52 7.040 -12.485 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.658 -14.337 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.130 -13.341 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.407 -14.947 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.444 -14.699 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.954 -15.311 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.070 -13.958 -0.960 1.00 0.00 H new ATOM 801 N LYS A 53 5.748 -13.639 4.626 1.00 0.00 N ATOM 802 CA LYS A 53 5.760 -13.077 5.970 1.00 0.00 C ATOM 803 C LYS A 53 7.010 -13.421 6.780 1.00 0.00 C ATOM 804 O LYS A 53 7.434 -12.599 7.592 1.00 0.00 O ATOM 805 CB LYS A 53 4.476 -13.513 6.693 1.00 0.00 C ATOM 806 CG LYS A 53 4.392 -12.909 8.102 1.00 0.00 C ATOM 807 CD LYS A 53 2.981 -12.967 8.688 1.00 0.00 C ATOM 808 CE LYS A 53 2.536 -14.396 9.003 1.00 0.00 C ATOM 809 NZ LYS A 53 1.183 -14.413 9.593 1.00 0.00 N ATOM 0 H LYS A 53 4.932 -14.221 4.436 1.00 0.00 H new ATOM 0 HA LYS A 53 5.792 -11.992 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.607 -13.205 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.446 -14.601 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.077 -13.441 8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.724 -11.871 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.944 -12.369 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.280 -12.518 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.546 -14.993 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.243 -14.857 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.906 -15.394 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.182 -13.862 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.507 -13.994 8.923 1.00 0.00 H new ATOM 823 N ASN A 54 7.593 -14.601 6.583 1.00 0.00 N ATOM 824 CA ASN A 54 8.773 -15.048 7.321 1.00 0.00 C ATOM 825 C ASN A 54 10.091 -14.759 6.602 1.00 0.00 C ATOM 826 O ASN A 54 11.128 -15.236 7.061 1.00 0.00 O ATOM 827 CB ASN A 54 8.638 -16.546 7.657 1.00 0.00 C ATOM 828 CG ASN A 54 7.489 -16.803 8.615 1.00 0.00 C ATOM 829 OD1 ASN A 54 7.649 -16.692 9.829 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.301 -17.078 8.103 1.00 0.00 N ATOM 0 H ASN A 54 7.257 -15.280 5.900 1.00 0.00 H new ATOM 0 HA ASN A 54 8.813 -14.467 8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.481 -17.112 6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.568 -16.906 8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.497 -17.202 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.189 -17.166 7.093 1.00 0.00 H new ATOM 837 N SER A 55 10.091 -14.024 5.491 1.00 0.00 N ATOM 838 CA SER A 55 11.302 -13.725 4.731 1.00 0.00 C ATOM 839 C SER A 55 11.932 -12.382 5.111 1.00 0.00 C ATOM 840 O SER A 55 11.296 -11.537 5.747 1.00 0.00 O ATOM 841 CB SER A 55 10.956 -13.874 3.247 1.00 0.00 C ATOM 842 OG SER A 55 10.483 -15.197 3.033 1.00 0.00 O ATOM 0 H SER A 55 9.245 -13.617 5.091 1.00 0.00 H new ATOM 0 HA SER A 55 12.094 -14.432 4.978 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.196 -13.147 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.834 -13.679 2.630 1.00 0.00 H new ATOM 0 HG SER A 55 10.254 -15.313 2.087 1.00 0.00 H new ATOM 848 N ASN A 56 13.208 -12.210 4.753 1.00 0.00 N ATOM 849 CA ASN A 56 13.985 -11.007 5.039 1.00 0.00 C ATOM 850 C ASN A 56 13.435 -9.868 4.175 1.00 0.00 C ATOM 851 O ASN A 56 13.162 -10.097 2.998 1.00 0.00 O ATOM 852 CB ASN A 56 15.459 -11.262 4.717 1.00 0.00 C ATOM 853 CG ASN A 56 16.418 -10.359 5.474 1.00 0.00 C ATOM 854 OD1 ASN A 56 16.284 -10.140 6.676 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.445 -9.843 4.825 1.00 0.00 N ATOM 0 H ASN A 56 13.738 -12.919 4.246 1.00 0.00 H new ATOM 0 HA ASN A 56 13.907 -10.739 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.696 -12.301 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.616 -11.127 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.124 -9.265 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.560 -10.022 3.827 1.00 0.00 H new ATOM 862 N PRO A 57 13.325 -8.627 4.668 1.00 0.00 N ATOM 863 CA PRO A 57 12.765 -7.542 3.882 1.00 0.00 C ATOM 864 C PRO A 57 13.603 -7.189 2.659 1.00 0.00 C ATOM 865 O PRO A 57 13.053 -6.893 1.603 1.00 0.00 O ATOM 866 CB PRO A 57 12.547 -6.377 4.852 1.00 0.00 C ATOM 867 CG PRO A 57 13.475 -6.680 6.022 1.00 0.00 C ATOM 868 CD PRO A 57 13.628 -8.199 6.011 1.00 0.00 C ATOM 0 HA PRO A 57 11.815 -7.836 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.792 -5.422 4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.507 -6.317 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.438 -6.184 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.052 -6.331 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.640 -8.490 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.952 -8.663 6.729 1.00 0.00 H new ATOM 876 N ASP A 58 14.925 -7.259 2.775 1.00 0.00 N ATOM 877 CA ASP A 58 15.843 -6.945 1.684 1.00 0.00 C ATOM 878 C ASP A 58 15.821 -8.008 0.582 1.00 0.00 C ATOM 879 O ASP A 58 16.344 -7.757 -0.505 1.00 0.00 O ATOM 880 CB ASP A 58 17.266 -6.832 2.240 1.00 0.00 C ATOM 881 CG ASP A 58 17.492 -5.548 3.027 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.915 -4.538 2.415 1.00 0.00 O ATOM 883 OD2 ASP A 58 17.360 -5.583 4.277 1.00 0.00 O ATOM 0 H ASP A 58 15.394 -7.538 3.637 1.00 0.00 H new ATOM 0 HA ASP A 58 15.520 -6.002 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.469 -7.688 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.978 -6.878 1.416 1.00 0.00 H new ATOM 888 N GLU A 59 15.231 -9.182 0.834 1.00 0.00 N ATOM 889 CA GLU A 59 15.161 -10.283 -0.123 1.00 0.00 C ATOM 890 C GLU A 59 13.784 -10.408 -0.767 1.00 0.00 C ATOM 891 O GLU A 59 13.689 -10.990 -1.850 1.00 0.00 O ATOM 892 CB GLU A 59 15.510 -11.596 0.589 1.00 0.00 C ATOM 893 CG GLU A 59 16.969 -11.630 1.063 1.00 0.00 C ATOM 894 CD GLU A 59 17.240 -12.808 1.997 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.799 -13.942 1.702 1.00 0.00 O ATOM 896 OE2 GLU A 59 17.923 -12.583 3.027 1.00 0.00 O ATOM 0 H GLU A 59 14.782 -9.393 1.725 1.00 0.00 H new ATOM 0 HA GLU A 59 15.876 -10.073 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.849 -11.730 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.330 -12.432 -0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.630 -11.693 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.205 -10.698 1.577 1.00 0.00 H new ATOM 903 N ILE A 60 12.733 -9.879 -0.130 1.00 0.00 N ATOM 904 CA ILE A 60 11.381 -9.941 -0.663 1.00 0.00 C ATOM 905 C ILE A 60 11.308 -8.956 -1.825 1.00 0.00 C ATOM 906 O ILE A 60 11.166 -7.744 -1.633 1.00 0.00 O ATOM 907 CB ILE A 60 10.307 -9.692 0.410 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.355 -10.760 1.519 1.00 0.00 C ATOM 909 CG2 ILE A 60 8.913 -9.754 -0.240 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.705 -10.296 2.826 1.00 0.00 C ATOM 0 H ILE A 60 12.803 -9.398 0.767 1.00 0.00 H new ATOM 0 HA ILE A 60 11.164 -10.948 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 60 10.500 -8.712 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.852 -11.661 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.394 -11.029 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.150 -9.578 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.838 -8.990 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.762 -10.738 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.771 -11.092 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.223 -9.412 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.658 -10.054 2.646 1.00 0.00 H new ATOM 922 N GLU A 61 11.410 -9.517 -3.021 1.00 0.00 N ATOM 923 CA GLU A 61 11.370 -8.837 -4.301 1.00 0.00 C ATOM 924 C GLU A 61 10.031 -8.098 -4.460 1.00 0.00 C ATOM 925 O GLU A 61 8.959 -8.708 -4.413 1.00 0.00 O ATOM 926 CB GLU A 61 11.651 -9.860 -5.429 1.00 0.00 C ATOM 927 CG GLU A 61 10.690 -11.070 -5.447 1.00 0.00 C ATOM 928 CD GLU A 61 11.096 -12.145 -6.455 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.961 -13.001 -6.161 1.00 0.00 O ATOM 930 OE2 GLU A 61 10.516 -12.184 -7.564 1.00 0.00 O ATOM 0 H GLU A 61 11.531 -10.524 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 61 12.147 -8.075 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.590 -9.349 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.673 -10.225 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.652 -11.511 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.683 -10.723 -5.681 1.00 0.00 H new ATOM 937 N ILE A 62 10.067 -6.770 -4.563 1.00 0.00 N ATOM 938 CA ILE A 62 8.891 -5.932 -4.750 1.00 0.00 C ATOM 939 C ILE A 62 8.622 -5.863 -6.251 1.00 0.00 C ATOM 940 O ILE A 62 9.361 -5.199 -6.979 1.00 0.00 O ATOM 941 CB ILE A 62 9.059 -4.523 -4.133 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.315 -4.634 -2.619 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.771 -3.710 -4.383 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.486 -3.304 -1.874 1.00 0.00 C ATOM 0 H ILE A 62 10.936 -6.238 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 62 8.041 -6.369 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 62 9.910 -4.023 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.485 -5.178 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.212 -5.234 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.879 -2.715 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.598 -3.624 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.925 -4.217 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.661 -3.499 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.336 -2.762 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.583 -2.705 -1.988 1.00 0.00 H new ATOM 956 N ASP A 63 7.580 -6.546 -6.718 1.00 0.00 N ATOM 957 CA ASP A 63 7.180 -6.545 -8.121 1.00 0.00 C ATOM 958 C ASP A 63 5.763 -5.979 -8.104 1.00 0.00 C ATOM 959 O ASP A 63 4.966 -6.322 -7.232 1.00 0.00 O ATOM 960 CB ASP A 63 7.302 -7.937 -8.745 1.00 0.00 C ATOM 961 CG ASP A 63 7.256 -7.867 -10.270 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.499 -7.035 -10.824 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.018 -8.613 -10.925 1.00 0.00 O ATOM 0 H ASP A 63 6.983 -7.122 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 63 7.826 -5.939 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.237 -8.399 -8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.493 -8.572 -8.383 1.00 0.00 H new ATOM 968 N PHE A 64 5.448 -5.030 -8.980 1.00 0.00 N ATOM 969 CA PHE A 64 4.133 -4.400 -9.003 1.00 0.00 C ATOM 970 C PHE A 64 3.176 -5.118 -9.934 1.00 0.00 C ATOM 971 O PHE A 64 1.997 -4.768 -10.010 1.00 0.00 O ATOM 972 CB PHE A 64 4.297 -2.926 -9.382 1.00 0.00 C ATOM 973 CG PHE A 64 5.333 -2.186 -8.546 1.00 0.00 C ATOM 974 CD1 PHE A 64 5.275 -2.231 -7.138 1.00 0.00 C ATOM 975 CD2 PHE A 64 6.359 -1.453 -9.172 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.200 -1.508 -6.366 1.00 0.00 C ATOM 977 CE2 PHE A 64 7.305 -0.757 -8.399 1.00 0.00 C ATOM 978 CZ PHE A 64 7.215 -0.772 -6.995 1.00 0.00 C ATOM 0 H PHE A 64 6.092 -4.678 -9.689 1.00 0.00 H new ATOM 0 HA PHE A 64 3.690 -4.467 -8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.578 -2.860 -10.433 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.335 -2.425 -9.278 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.516 -2.824 -6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.420 -1.425 -10.250 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.129 -1.519 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.101 -0.211 -8.883 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.927 -0.217 -6.402 1.00 0.00 H new ATOM 988 N GLU A 65 3.667 -6.139 -10.623 1.00 0.00 N ATOM 989 CA GLU A 65 2.909 -6.911 -11.578 1.00 0.00 C ATOM 990 C GLU A 65 2.344 -8.180 -10.947 1.00 0.00 C ATOM 991 O GLU A 65 1.288 -8.657 -11.371 1.00 0.00 O ATOM 992 CB GLU A 65 3.827 -7.163 -12.776 1.00 0.00 C ATOM 993 CG GLU A 65 4.363 -5.831 -13.330 1.00 0.00 C ATOM 994 CD GLU A 65 5.164 -6.010 -14.617 1.00 0.00 C ATOM 995 OE1 GLU A 65 4.586 -6.354 -15.678 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.394 -5.780 -14.574 1.00 0.00 O ATOM 0 H GLU A 65 4.631 -6.456 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 65 2.026 -6.371 -11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.659 -7.801 -12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.281 -7.695 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.527 -5.157 -13.518 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.993 -5.356 -12.578 1.00 0.00 H new ATOM 1003 N THR A 66 2.981 -8.707 -9.902 1.00 0.00 N ATOM 1004 CA THR A 66 2.506 -9.909 -9.227 1.00 0.00 C ATOM 1005 C THR A 66 1.566 -9.539 -8.072 1.00 0.00 C ATOM 1006 O THR A 66 0.679 -10.321 -7.720 1.00 0.00 O ATOM 1007 CB THR A 66 3.714 -10.719 -8.722 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.478 -9.943 -7.828 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.639 -11.162 -9.859 1.00 0.00 C ATOM 0 H THR A 66 3.834 -8.315 -9.504 1.00 0.00 H new ATOM 0 HA THR A 66 1.940 -10.522 -9.929 1.00 0.00 H new ATOM 0 HB THR A 66 3.308 -11.604 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.243 -10.467 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.474 -11.729 -9.448 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.083 -11.788 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.019 -10.284 -10.382 1.00 0.00 H new ATOM 1017 N LEU A 67 1.726 -8.340 -7.498 1.00 0.00 N ATOM 1018 CA LEU A 67 0.918 -7.870 -6.377 1.00 0.00 C ATOM 1019 C LEU A 67 -0.453 -7.362 -6.823 1.00 0.00 C ATOM 1020 O LEU A 67 -0.649 -6.925 -7.964 1.00 0.00 O ATOM 1021 CB LEU A 67 1.670 -6.770 -5.608 1.00 0.00 C ATOM 1022 CG LEU A 67 2.977 -7.222 -4.927 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.682 -6.022 -4.269 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.760 -8.302 -3.865 1.00 0.00 C ATOM 0 H LEU A 67 2.428 -7.666 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 67 0.747 -8.722 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.901 -5.959 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.005 -6.361 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 67 3.595 -7.648 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.603 -6.358 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.917 -5.277 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.025 -5.581 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.718 -8.576 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.099 -7.920 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.308 -9.180 -4.326 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.407 -7.404 -5.888 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.793 -6.973 -6.076 1.00 0.00 C ATOM 1038 C LYS A 68 -2.928 -5.458 -5.925 1.00 0.00 C ATOM 1039 O LYS A 68 -2.132 -4.842 -5.215 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.672 -7.633 -4.999 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.997 -9.092 -5.331 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.822 -9.695 -4.188 1.00 0.00 C ATOM 1043 CE LYS A 68 -5.275 -11.128 -4.467 1.00 0.00 C ATOM 1044 NZ LYS A 68 -4.143 -12.061 -4.620 1.00 0.00 N ATOM 0 H LYS A 68 -1.227 -7.752 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.104 -7.263 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.161 -7.586 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.600 -7.071 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.553 -9.150 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.077 -9.660 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.230 -9.679 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.698 -9.071 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.914 -11.468 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.879 -11.144 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.505 -13.024 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.565 -11.774 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.560 -12.044 -3.759 1.00 0.00 H new ATOM 1058 N PRO A 69 -4.006 -4.858 -6.460 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.234 -3.425 -6.362 1.00 0.00 C ATOM 1060 C PRO A 69 -4.403 -2.973 -4.909 1.00 0.00 C ATOM 1061 O PRO A 69 -3.928 -1.905 -4.529 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.473 -3.151 -7.215 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.194 -4.493 -7.295 1.00 0.00 C ATOM 1064 CD PRO A 69 -5.023 -5.463 -7.306 1.00 0.00 C ATOM 0 HA PRO A 69 -3.379 -2.853 -6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.106 -2.388 -6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.199 -2.789 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.854 -4.656 -6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.806 -4.578 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.320 -6.440 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.650 -5.616 -8.319 1.00 0.00 H new ATOM 1072 N SER A 70 -5.064 -3.778 -4.072 1.00 0.00 N ATOM 1073 CA SER A 70 -5.268 -3.434 -2.670 1.00 0.00 C ATOM 1074 C SER A 70 -3.932 -3.379 -1.904 1.00 0.00 C ATOM 1075 O SER A 70 -3.810 -2.641 -0.927 1.00 0.00 O ATOM 1076 CB SER A 70 -6.303 -4.392 -2.073 1.00 0.00 C ATOM 1077 OG SER A 70 -6.648 -4.019 -0.761 1.00 0.00 O ATOM 0 H SER A 70 -5.466 -4.674 -4.346 1.00 0.00 H new ATOM 0 HA SER A 70 -5.672 -2.426 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.196 -4.401 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.905 -5.407 -2.072 1.00 0.00 H new ATOM 0 HG SER A 70 -7.311 -4.647 -0.406 1.00 0.00 H new ATOM 1083 N THR A 71 -2.910 -4.128 -2.329 1.00 0.00 N ATOM 1084 CA THR A 71 -1.603 -4.104 -1.680 1.00 0.00 C ATOM 1085 C THR A 71 -0.979 -2.736 -1.978 1.00 0.00 C ATOM 1086 O THR A 71 -0.520 -2.057 -1.056 1.00 0.00 O ATOM 1087 CB THR A 71 -0.769 -5.305 -2.157 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.555 -6.468 -1.931 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.569 -5.429 -1.414 1.00 0.00 C ATOM 0 H THR A 71 -2.968 -4.762 -3.126 1.00 0.00 H new ATOM 0 HA THR A 71 -1.664 -4.213 -0.597 1.00 0.00 H new ATOM 0 HB THR A 71 -0.522 -5.175 -3.211 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.059 -7.260 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.116 -6.293 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.160 -4.527 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.383 -5.555 -0.347 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.057 -2.281 -3.236 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.523 -0.984 -3.640 1.00 0.00 C ATOM 1099 C LEU A 72 -1.249 0.121 -2.863 1.00 0.00 C ATOM 1100 O LEU A 72 -0.620 1.078 -2.431 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.650 -0.741 -5.151 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.023 -1.816 -6.048 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.579 -1.765 -7.468 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.492 -1.657 -6.128 1.00 0.00 C ATOM 0 H LEU A 72 -1.492 -2.804 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 72 0.542 -0.973 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.708 -0.657 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.189 0.218 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.274 -2.774 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.109 -2.542 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.657 -1.927 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.369 -0.789 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.906 -2.434 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.734 -0.677 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.920 -1.746 -5.130 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.563 -0.020 -2.633 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.374 0.953 -1.892 1.00 0.00 C ATOM 1118 C ARG A 73 -2.840 1.138 -0.467 1.00 0.00 C ATOM 1119 O ARG A 73 -2.910 2.244 0.067 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.846 0.481 -1.895 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.837 1.311 -1.059 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.043 2.709 -1.641 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.039 3.475 -0.874 1.00 0.00 N ATOM 1124 CZ ARG A 73 -6.961 4.756 -0.496 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -5.883 5.485 -0.778 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -7.972 5.287 0.174 1.00 0.00 N ATOM 0 H ARG A 73 -3.098 -0.824 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.315 1.927 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.198 0.468 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.875 -0.548 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.795 0.793 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.469 1.394 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.094 3.246 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.366 2.628 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.883 2.973 -0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.104 5.068 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.836 6.461 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.792 4.721 0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.931 6.262 0.471 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.326 0.082 0.165 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.790 0.183 1.522 1.00 0.00 C ATOM 1142 C GLU A 74 -0.406 0.835 1.518 1.00 0.00 C ATOM 1143 O GLU A 74 -0.047 1.540 2.464 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.720 -1.196 2.182 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.117 -1.740 2.499 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.076 -2.960 3.418 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.365 -2.913 4.449 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -3.823 -3.933 3.156 1.00 0.00 O ATOM 0 H GLU A 74 -2.270 -0.852 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.466 0.813 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.200 -1.890 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.137 -1.131 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.711 -0.956 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.619 -2.007 1.569 1.00 0.00 H new ATOM 1155 N LEU A 75 0.381 0.583 0.469 1.00 0.00 N ATOM 1156 CA LEU A 75 1.720 1.143 0.294 1.00 0.00 C ATOM 1157 C LEU A 75 1.574 2.652 0.070 1.00 0.00 C ATOM 1158 O LEU A 75 2.278 3.443 0.697 1.00 0.00 O ATOM 1159 CB LEU A 75 2.432 0.431 -0.862 1.00 0.00 C ATOM 1160 CG LEU A 75 2.801 -1.035 -0.564 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.085 -1.805 -1.856 1.00 0.00 C ATOM 1162 CD2 LEU A 75 4.054 -1.098 0.300 1.00 0.00 C ATOM 0 H LEU A 75 0.098 -0.028 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 75 2.339 0.988 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.791 0.462 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.340 0.980 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 75 1.954 -1.484 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.343 -2.836 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.199 -1.791 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.916 -1.337 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.304 -2.139 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.882 -0.622 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.874 -0.578 1.241 1.00 0.00 H new ATOM 1174 N GLU A 76 0.604 3.040 -0.763 1.00 0.00 N ATOM 1175 CA GLU A 76 0.240 4.416 -1.092 1.00 0.00 C ATOM 1176 C GLU A 76 -0.021 5.154 0.216 1.00 0.00 C ATOM 1177 O GLU A 76 0.571 6.194 0.481 1.00 0.00 O ATOM 1178 CB GLU A 76 -1.010 4.364 -1.986 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.778 5.681 -2.140 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.353 6.501 -3.351 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -1.895 6.216 -4.439 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -0.634 7.514 -3.193 1.00 0.00 O ATOM 0 H GLU A 76 0.020 2.362 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 76 1.028 4.943 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.710 4.023 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.690 3.614 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.843 5.463 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.638 6.280 -1.240 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.886 4.579 1.054 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.270 5.158 2.338 1.00 0.00 C ATOM 1191 C ARG A 77 -0.057 5.555 3.171 1.00 0.00 C ATOM 1192 O ARG A 77 -0.095 6.597 3.834 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.149 4.169 3.114 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.089 4.900 4.081 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.562 3.962 5.193 1.00 0.00 C ATOM 1196 NE ARG A 77 -2.648 3.991 6.346 1.00 0.00 N ATOM 1197 CZ ARG A 77 -2.619 3.148 7.383 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -3.370 2.056 7.414 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -1.829 3.435 8.404 1.00 0.00 N ATOM 0 H ARG A 77 -1.343 3.689 0.856 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.836 6.068 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.735 3.573 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.517 3.477 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.575 5.757 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.949 5.287 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.563 4.251 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.632 2.945 4.808 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.957 4.741 6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.990 1.841 6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.327 1.430 8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.261 4.282 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.787 2.809 9.208 1.00 0.00 H new ATOM 1213 N TYR A 78 0.984 4.721 3.174 1.00 0.00 N ATOM 1214 CA TYR A 78 2.199 4.985 3.919 1.00 0.00 C ATOM 1215 C TYR A 78 2.870 6.244 3.373 1.00 0.00 C ATOM 1216 O TYR A 78 3.042 7.196 4.139 1.00 0.00 O ATOM 1217 CB TYR A 78 3.114 3.757 3.924 1.00 0.00 C ATOM 1218 CG TYR A 78 4.390 3.944 4.718 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.358 3.994 6.128 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.623 4.014 4.044 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.552 4.132 6.862 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.814 4.141 4.776 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.788 4.225 6.181 1.00 0.00 C ATOM 1224 OH TYR A 78 7.961 4.407 6.835 1.00 0.00 O ATOM 0 H TYR A 78 1.000 3.843 2.656 1.00 0.00 H new ATOM 0 HA TYR A 78 1.960 5.178 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.565 2.909 4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.372 3.504 2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.413 3.926 6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.653 3.970 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.524 4.167 7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.760 4.175 4.256 1.00 0.00 H new ATOM 0 HH TYR A 78 8.497 3.588 6.780 1.00 0.00 H new ATOM 1234 N VAL A 79 3.208 6.326 2.076 1.00 0.00 N ATOM 1235 CA VAL A 79 3.853 7.523 1.551 1.00 0.00 C ATOM 1236 C VAL A 79 2.973 8.757 1.760 1.00 0.00 C ATOM 1237 O VAL A 79 3.489 9.804 2.158 1.00 0.00 O ATOM 1238 CB VAL A 79 4.319 7.331 0.094 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.128 6.025 -0.014 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.206 7.358 -0.964 1.00 0.00 C ATOM 0 H VAL A 79 3.046 5.589 1.389 1.00 0.00 H new ATOM 0 HA VAL A 79 4.764 7.700 2.122 1.00 0.00 H new ATOM 0 HB VAL A 79 4.936 8.200 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.459 5.886 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.997 6.080 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.502 5.184 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.641 7.214 -1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.492 6.559 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.694 8.320 -0.929 1.00 0.00 H new ATOM 1250 N THR A 80 1.649 8.642 1.598 1.00 0.00 N ATOM 1251 CA THR A 80 0.738 9.764 1.786 1.00 0.00 C ATOM 1252 C THR A 80 0.654 10.231 3.241 1.00 0.00 C ATOM 1253 O THR A 80 0.175 11.329 3.523 1.00 0.00 O ATOM 1254 CB THR A 80 -0.673 9.470 1.271 1.00 0.00 C ATOM 1255 OG1 THR A 80 -0.775 8.619 0.156 1.00 0.00 O ATOM 1256 CG2 THR A 80 -1.296 10.794 0.881 1.00 0.00 C ATOM 0 H THR A 80 1.187 7.772 1.334 1.00 0.00 H new ATOM 0 HA THR A 80 1.169 10.569 1.191 1.00 0.00 H new ATOM 0 HB THR A 80 -1.172 8.944 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.423 7.734 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.306 10.625 0.508 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.336 11.448 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.695 11.263 0.102 1.00 0.00 H new ATOM 1264 N SER A 81 1.122 9.430 4.180 1.00 0.00 N ATOM 1265 CA SER A 81 1.196 9.730 5.604 1.00 0.00 C ATOM 1266 C SER A 81 2.576 10.283 6.020 1.00 0.00 C ATOM 1267 O SER A 81 2.639 11.234 6.797 1.00 0.00 O ATOM 1268 CB SER A 81 0.781 8.510 6.426 1.00 0.00 C ATOM 1269 OG SER A 81 -0.515 8.089 6.022 1.00 0.00 O ATOM 0 H SER A 81 1.481 8.501 3.961 1.00 0.00 H new ATOM 0 HA SER A 81 0.487 10.531 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.499 7.702 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.781 8.756 7.488 1.00 0.00 H new ATOM 0 HG SER A 81 -0.434 7.376 5.355 1.00 0.00 H new ATOM 1275 N CYS A 82 3.671 9.721 5.484 1.00 0.00 N ATOM 1276 CA CYS A 82 5.053 10.097 5.802 1.00 0.00 C ATOM 1277 C CYS A 82 5.663 11.321 5.101 1.00 0.00 C ATOM 1278 O CYS A 82 6.472 12.015 5.727 1.00 0.00 O ATOM 1279 CB CYS A 82 5.961 8.901 5.477 1.00 0.00 C ATOM 1280 SG CYS A 82 5.461 7.445 6.438 1.00 0.00 S ATOM 0 H CYS A 82 3.615 8.970 4.797 1.00 0.00 H new ATOM 0 HA CYS A 82 4.998 10.380 6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.909 8.676 4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.998 9.153 5.700 1.00 0.00 H new ATOM 0 HG CYS A 82 6.062 6.391 5.973 1.00 0.00 H new ATOM 1286 N LEU A 83 5.394 11.546 3.811 1.00 0.00 N ATOM 1287 CA LEU A 83 5.974 12.665 3.056 1.00 0.00 C ATOM 1288 C LEU A 83 5.358 14.022 3.422 1.00 0.00 C ATOM 1289 O LEU A 83 6.062 14.979 3.749 1.00 0.00 O ATOM 1290 CB LEU A 83 5.837 12.367 1.550 1.00 0.00 C ATOM 1291 CG LEU A 83 6.570 11.087 1.091 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.211 10.774 -0.358 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.091 11.222 1.202 1.00 0.00 C ATOM 0 H LEU A 83 4.768 10.959 3.260 1.00 0.00 H new ATOM 0 HA LEU A 83 7.027 12.749 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.779 12.275 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.223 13.216 0.986 1.00 0.00 H new ATOM 0 HG LEU A 83 6.248 10.280 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.732 9.870 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.135 10.621 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.510 11.607 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.564 10.298 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.429 12.049 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.364 11.415 2.239 1.00 0.00 H new