USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 HIS : no HE2:sc= -8.33! C(o=-8.3!,f=-12!) USER MOD Set 1.2: A 82 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot -53:sc= 2.33 USER MOD Set 2.2: A 48 THR OG1 : rot -96:sc= 1.19 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 137:sc= -0.827 (180deg=-3.69!) USER MOD Set 3.2: A 28 HIS : no HD1:sc= -1.83 K(o=-2.7,f=-7.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.021) USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -1.15 (180deg=-5.25!) USER MOD Single : A 40 GLN : amide:sc= -1.19 K(o=-1.2,f=-6.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= -0.604 (180deg=-2.43!) USER MOD Single : A 51 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.15) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.186 K(o=0.19,f=-3.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.023 (180deg=-0.226) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00435) USER MOD Single : A 76 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-0.86) USER MOD Single : A 85 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.298 -7.649 -3.444 1.00 0.00 N ATOM 215 CA ALA A 17 11.194 -7.721 -4.393 1.00 0.00 C ATOM 216 C ALA A 17 10.381 -6.432 -4.388 1.00 0.00 C ATOM 217 O ALA A 17 10.561 -5.576 -3.521 1.00 0.00 O ATOM 218 CB ALA A 17 10.302 -8.912 -4.075 1.00 0.00 C ATOM 0 HA ALA A 17 11.613 -7.851 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.482 -8.954 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.885 -9.831 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.899 -8.806 -3.068 1.00 0.00 H new ATOM 224 N SER A 18 9.485 -6.298 -5.361 1.00 0.00 N ATOM 225 CA SER A 18 8.647 -5.109 -5.471 1.00 0.00 C ATOM 226 C SER A 18 7.256 -5.472 -5.984 1.00 0.00 C ATOM 227 O SER A 18 7.114 -6.148 -7.002 1.00 0.00 O ATOM 228 CB SER A 18 9.296 -4.087 -6.404 1.00 0.00 C ATOM 229 OG SER A 18 9.889 -4.721 -7.524 1.00 0.00 O ATOM 0 H SER A 18 9.321 -6.998 -6.084 1.00 0.00 H new ATOM 0 HA SER A 18 8.547 -4.671 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.546 -3.372 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.053 -3.522 -5.859 1.00 0.00 H new ATOM 0 HG SER A 18 10.295 -4.045 -8.105 1.00 0.00 H new ATOM 235 N ALA A 19 6.232 -5.015 -5.270 1.00 0.00 N ATOM 236 CA ALA A 19 4.853 -5.288 -5.652 1.00 0.00 C ATOM 237 C ALA A 19 4.082 -3.994 -5.889 1.00 0.00 C ATOM 238 O ALA A 19 4.574 -2.903 -5.600 1.00 0.00 O ATOM 239 CB ALA A 19 4.165 -6.126 -4.585 1.00 0.00 C ATOM 0 H ALA A 19 6.332 -4.454 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 19 4.866 -5.849 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.135 -6.322 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.695 -7.071 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.171 -5.586 -3.638 1.00 0.00 H new ATOM 245 N THR A 20 2.869 -4.121 -6.420 1.00 0.00 N ATOM 246 CA THR A 20 2.032 -2.962 -6.698 1.00 0.00 C ATOM 247 C THR A 20 0.578 -3.232 -6.327 1.00 0.00 C ATOM 248 O THR A 20 0.156 -4.385 -6.227 1.00 0.00 O ATOM 249 CB THR A 20 2.104 -2.558 -8.182 1.00 0.00 C ATOM 250 OG1 THR A 20 2.272 -3.722 -8.998 1.00 0.00 O ATOM 251 CG2 THR A 20 3.254 -1.592 -8.424 1.00 0.00 C ATOM 0 H THR A 20 2.445 -5.016 -6.666 1.00 0.00 H new ATOM 0 HA THR A 20 2.415 -2.144 -6.088 1.00 0.00 H new ATOM 0 HB THR A 20 1.171 -2.061 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.315 -3.457 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.285 -1.321 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.108 -0.695 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.194 -2.068 -8.144 1.00 0.00 H new ATOM 259 N VAL A 21 -0.186 -2.163 -6.125 1.00 0.00 N ATOM 260 CA VAL A 21 -1.594 -2.286 -5.768 1.00 0.00 C ATOM 261 C VAL A 21 -2.461 -1.371 -6.626 1.00 0.00 C ATOM 262 O VAL A 21 -2.284 -0.153 -6.627 1.00 0.00 O ATOM 263 CB VAL A 21 -1.827 -1.951 -4.283 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.237 -0.591 -3.942 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.312 -1.995 -3.954 1.00 0.00 C ATOM 0 H VAL A 21 0.147 -1.202 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.877 -3.323 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.321 -2.702 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.412 -0.372 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.165 -0.600 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.711 0.175 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.459 -1.756 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.843 -1.268 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.700 -2.993 -4.157 1.00 0.00 H new ATOM 275 N ALA A 22 -3.399 -1.966 -7.355 1.00 0.00 N ATOM 276 CA ALA A 22 -4.295 -1.205 -8.216 1.00 0.00 C ATOM 277 C ALA A 22 -5.399 -0.536 -7.404 1.00 0.00 C ATOM 278 O ALA A 22 -6.318 -1.199 -6.924 1.00 0.00 O ATOM 279 CB ALA A 22 -4.896 -2.107 -9.284 1.00 0.00 C ATOM 0 H ALA A 22 -3.558 -2.973 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.712 -0.423 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.563 -1.524 -9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.098 -2.534 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.458 -2.910 -8.808 1.00 0.00 H new ATOM 285 N ILE A 23 -5.302 0.782 -7.254 1.00 0.00 N ATOM 286 CA ILE A 23 -6.294 1.539 -6.500 1.00 0.00 C ATOM 287 C ILE A 23 -6.618 2.858 -7.192 1.00 0.00 C ATOM 288 O ILE A 23 -5.818 3.402 -7.954 1.00 0.00 O ATOM 289 CB ILE A 23 -5.810 1.828 -5.067 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.325 2.196 -5.071 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.060 0.624 -4.170 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.762 2.453 -3.690 1.00 0.00 C ATOM 0 H ILE A 23 -4.547 1.346 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.194 0.925 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.374 2.674 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.761 1.390 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.181 3.085 -5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.712 0.844 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.127 0.403 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.520 -0.239 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.705 2.708 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.301 3.279 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.874 1.557 -3.079 1.00 0.00 H new ATOM 304 N PRO A 24 -7.819 3.390 -6.918 1.00 0.00 N ATOM 305 CA PRO A 24 -8.277 4.654 -7.501 1.00 0.00 C ATOM 306 C PRO A 24 -7.513 5.855 -6.955 1.00 0.00 C ATOM 307 O PRO A 24 -7.154 5.892 -5.778 1.00 0.00 O ATOM 308 CB PRO A 24 -9.749 4.723 -7.088 1.00 0.00 C ATOM 309 CG PRO A 24 -9.834 3.896 -5.852 1.00 0.00 C ATOM 310 CD PRO A 24 -8.823 2.796 -6.019 1.00 0.00 C ATOM 0 HA PRO A 24 -8.121 4.685 -8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.060 5.751 -6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.399 4.333 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.617 4.494 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.837 3.488 -5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.385 2.504 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.270 1.901 -6.451 1.00 0.00 H new ATOM 318 N LYS A 25 -7.268 6.836 -7.816 1.00 0.00 N ATOM 319 CA LYS A 25 -6.548 8.041 -7.420 1.00 0.00 C ATOM 320 C LYS A 25 -7.261 8.748 -6.272 1.00 0.00 C ATOM 321 O LYS A 25 -6.711 9.659 -5.654 1.00 0.00 O ATOM 322 CB LYS A 25 -6.409 8.992 -8.610 1.00 0.00 C ATOM 323 CG LYS A 25 -5.713 8.368 -9.808 1.00 0.00 C ATOM 324 CD LYS A 25 -4.234 8.145 -9.542 1.00 0.00 C ATOM 325 CE LYS A 25 -3.440 9.433 -9.696 1.00 0.00 C ATOM 326 NZ LYS A 25 -3.379 10.203 -8.422 1.00 0.00 N ATOM 0 H LYS A 25 -7.558 6.821 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.555 7.745 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.400 9.331 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.852 9.875 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.187 7.417 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.833 9.015 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.100 7.752 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.848 7.394 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.428 9.199 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.895 10.049 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.414 10.563 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.044 11.002 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.637 9.582 -7.628 1.00 0.00 H new ATOM 340 N GLU A 26 -8.489 8.321 -5.991 1.00 0.00 N ATOM 341 CA GLU A 26 -9.276 8.914 -4.916 1.00 0.00 C ATOM 342 C GLU A 26 -8.908 8.299 -3.569 1.00 0.00 C ATOM 343 O GLU A 26 -9.127 8.902 -2.518 1.00 0.00 O ATOM 344 CB GLU A 26 -10.771 8.725 -5.185 1.00 0.00 C ATOM 345 CG GLU A 26 -11.331 7.429 -4.623 1.00 0.00 C ATOM 346 CD GLU A 26 -12.514 6.913 -5.418 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.290 6.278 -6.470 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.664 7.143 -4.989 1.00 0.00 O ATOM 0 H GLU A 26 -8.959 7.568 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.052 9.980 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.318 9.564 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.944 8.750 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.546 6.672 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.634 7.587 -3.588 1.00 0.00 H new ATOM 355 N HIS A 27 -8.347 7.095 -3.608 1.00 0.00 N ATOM 356 CA HIS A 27 -7.949 6.396 -2.391 1.00 0.00 C ATOM 357 C HIS A 27 -6.511 6.741 -2.013 1.00 0.00 C ATOM 358 O HIS A 27 -6.142 6.707 -0.839 1.00 0.00 O ATOM 359 CB HIS A 27 -8.092 4.885 -2.574 1.00 0.00 C ATOM 360 CG HIS A 27 -9.514 4.417 -2.592 1.00 0.00 C ATOM 361 ND1 HIS A 27 -9.884 3.148 -2.988 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.661 5.054 -2.259 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.196 3.026 -2.898 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.691 4.168 -2.457 1.00 0.00 N ATOM 0 H HIS A 27 -8.158 6.583 -4.469 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.607 6.719 -1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.610 4.593 -3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.561 4.378 -1.768 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.244 2.418 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.749 6.070 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.767 2.143 -3.143 1.00 0.00 H new ATOM 372 N HIS A 28 -5.703 7.072 -3.017 1.00 0.00 N ATOM 373 CA HIS A 28 -4.307 7.422 -2.789 1.00 0.00 C ATOM 374 C HIS A 28 -4.173 8.390 -1.617 1.00 0.00 C ATOM 375 O HIS A 28 -3.328 8.206 -0.741 1.00 0.00 O ATOM 376 CB HIS A 28 -3.703 8.042 -4.049 1.00 0.00 C ATOM 377 CG HIS A 28 -3.477 7.056 -5.154 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.748 7.349 -6.287 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.885 5.773 -5.292 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.720 6.290 -7.075 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.402 5.320 -6.495 1.00 0.00 N ATOM 0 H HIS A 28 -5.992 7.105 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.764 6.508 -2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.363 8.832 -4.408 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.753 8.512 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.480 5.210 -4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.223 6.228 -8.032 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.547 4.386 -6.878 1.00 0.00 H new ATOM 389 N ARG A 29 -5.011 9.421 -1.609 1.00 0.00 N ATOM 390 CA ARG A 29 -4.985 10.418 -0.546 1.00 0.00 C ATOM 391 C ARG A 29 -5.065 9.753 0.825 1.00 0.00 C ATOM 392 O ARG A 29 -4.338 10.121 1.749 1.00 0.00 O ATOM 393 CB ARG A 29 -6.142 11.405 -0.715 1.00 0.00 C ATOM 394 CG ARG A 29 -7.514 10.762 -0.590 1.00 0.00 C ATOM 395 CD ARG A 29 -8.610 11.684 -1.101 1.00 0.00 C ATOM 396 NE ARG A 29 -8.927 12.741 -0.144 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.659 13.808 -0.443 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.148 13.959 -1.667 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.904 14.726 0.481 1.00 0.00 N ATOM 0 H ARG A 29 -5.716 9.588 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.042 10.960 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.049 12.192 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.061 11.883 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.532 9.828 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.706 10.511 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.297 12.131 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.507 11.101 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.566 12.655 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.962 13.255 -2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.710 14.779 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.530 14.614 1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.466 15.545 0.250 1.00 0.00 H new ATOM 413 N PHE A 30 -5.954 8.773 0.951 1.00 0.00 N ATOM 414 CA PHE A 30 -6.131 8.059 2.210 1.00 0.00 C ATOM 415 C PHE A 30 -4.844 7.345 2.615 1.00 0.00 C ATOM 416 O PHE A 30 -4.703 6.892 3.751 1.00 0.00 O ATOM 417 CB PHE A 30 -7.273 7.047 2.091 1.00 0.00 C ATOM 418 CG PHE A 30 -8.634 7.657 2.262 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.081 8.044 3.515 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.467 7.843 1.171 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.334 8.607 3.677 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.720 8.406 1.327 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.155 8.786 2.581 1.00 0.00 C ATOM 0 H PHE A 30 -6.563 8.455 0.197 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.380 8.788 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.220 6.564 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.136 6.267 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.443 7.904 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.134 7.545 0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.670 8.906 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.359 8.549 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.135 9.222 2.705 1.00 0.00 H new ATOM 433 N VAL A 31 -3.907 7.248 1.677 1.00 0.00 N ATOM 434 CA VAL A 31 -2.631 6.591 1.935 1.00 0.00 C ATOM 435 C VAL A 31 -1.522 7.613 2.161 1.00 0.00 C ATOM 436 O VAL A 31 -0.509 7.313 2.793 1.00 0.00 O ATOM 437 CB VAL A 31 -2.232 5.665 0.771 1.00 0.00 C ATOM 438 CG1 VAL A 31 -0.998 4.853 1.134 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.390 4.752 0.396 1.00 0.00 C ATOM 0 H VAL A 31 -4.008 7.616 0.731 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.759 5.993 2.838 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.990 6.281 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.731 4.204 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.169 5.527 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.209 4.245 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.091 4.104 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.665 4.141 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.245 5.355 0.091 1.00 0.00 H new ATOM 449 N ILE A 32 -1.722 8.819 1.640 1.00 0.00 N ATOM 450 CA ILE A 32 -0.739 9.885 1.787 1.00 0.00 C ATOM 451 C ILE A 32 -0.926 10.629 3.105 1.00 0.00 C ATOM 452 O ILE A 32 0.043 11.036 3.744 1.00 0.00 O ATOM 453 CB ILE A 32 -0.824 10.894 0.626 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.627 10.179 -0.714 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.211 11.994 0.801 1.00 0.00 C ATOM 456 CD1 ILE A 32 -1.059 11.002 -1.907 1.00 0.00 C ATOM 0 H ILE A 32 -2.555 9.082 1.113 1.00 0.00 H new ATOM 0 HA ILE A 32 0.243 9.411 1.776 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.814 11.350 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.425 9.917 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.189 9.245 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.137 12.698 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.030 12.518 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.209 11.556 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.891 10.433 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.118 11.242 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.479 11.924 -1.942 1.00 0.00 H new ATOM 468 N GLY A 33 -2.182 10.802 3.507 1.00 0.00 N ATOM 469 CA GLY A 33 -2.476 11.495 4.748 1.00 0.00 C ATOM 470 C GLY A 33 -3.139 12.839 4.519 1.00 0.00 C ATOM 471 O GLY A 33 -3.306 13.271 3.379 1.00 0.00 O ATOM 0 H GLY A 33 -3.001 10.474 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.126 10.873 5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.552 11.640 5.307 1.00 0.00 H new ATOM 475 N LYS A 34 -3.520 13.501 5.606 1.00 0.00 N ATOM 476 CA LYS A 34 -4.169 14.803 5.520 1.00 0.00 C ATOM 477 C LYS A 34 -3.294 15.801 4.769 1.00 0.00 C ATOM 478 O LYS A 34 -3.703 16.359 3.753 1.00 0.00 O ATOM 479 CB LYS A 34 -4.480 15.335 6.921 1.00 0.00 C ATOM 480 CG LYS A 34 -5.058 16.740 6.925 1.00 0.00 C ATOM 481 CD LYS A 34 -4.686 17.493 8.191 1.00 0.00 C ATOM 482 CE LYS A 34 -5.604 17.126 9.348 1.00 0.00 C ATOM 483 NZ LYS A 34 -6.865 17.919 9.327 1.00 0.00 N ATOM 0 H LYS A 34 -3.390 13.157 6.557 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.101 14.679 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.184 14.660 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.566 15.326 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.694 17.287 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.143 16.688 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.654 17.269 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.742 18.566 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.842 16.063 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.085 17.294 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.464 17.640 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.639 18.932 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.373 17.739 8.438 1.00 0.00 H new ATOM 497 N ASN A 35 -2.084 16.019 5.277 1.00 0.00 N ATOM 498 CA ASN A 35 -1.149 16.948 4.652 1.00 0.00 C ATOM 499 C ASN A 35 -0.022 16.196 3.950 1.00 0.00 C ATOM 500 O ASN A 35 0.548 16.682 2.975 1.00 0.00 O ATOM 501 CB ASN A 35 -0.568 17.899 5.700 1.00 0.00 C ATOM 502 CG ASN A 35 -1.568 18.947 6.148 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.071 19.726 5.339 1.00 0.00 O ATOM 504 ND2 ASN A 35 -1.861 18.971 7.443 1.00 0.00 N ATOM 0 H ASN A 35 -1.729 15.565 6.119 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.694 17.528 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.237 17.324 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.313 18.393 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.527 19.655 7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.420 18.306 8.078 1.00 0.00 H new ATOM 511 N GLY A 36 0.293 15.007 4.454 1.00 0.00 N ATOM 512 CA GLY A 36 1.349 14.207 3.863 1.00 0.00 C ATOM 513 C GLY A 36 2.163 13.461 4.903 1.00 0.00 C ATOM 514 O GLY A 36 3.387 13.581 4.943 1.00 0.00 O ATOM 0 H GLY A 36 -0.165 14.584 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.912 13.492 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.009 14.853 3.284 1.00 0.00 H new ATOM 518 N GLU A 37 1.482 12.692 5.745 1.00 0.00 N ATOM 519 CA GLU A 37 2.150 11.927 6.791 1.00 0.00 C ATOM 520 C GLU A 37 1.849 10.437 6.652 1.00 0.00 C ATOM 521 O GLU A 37 2.759 9.606 6.643 1.00 0.00 O ATOM 522 CB GLU A 37 1.713 12.419 8.172 1.00 0.00 C ATOM 523 CG GLU A 37 1.480 13.920 8.238 1.00 0.00 C ATOM 524 CD GLU A 37 1.657 14.477 9.637 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.748 14.293 10.216 1.00 0.00 O ATOM 526 OE2 GLU A 37 0.704 15.097 10.153 1.00 0.00 O ATOM 0 H GLU A 37 0.468 12.582 5.724 1.00 0.00 H new ATOM 0 HA GLU A 37 3.225 12.075 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.796 11.904 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.473 12.145 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.172 14.421 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.473 14.143 7.887 1.00 0.00 H new ATOM 533 N LYS A 38 0.568 10.106 6.544 1.00 0.00 N ATOM 534 CA LYS A 38 0.145 8.717 6.405 1.00 0.00 C ATOM 535 C LYS A 38 1.150 7.923 5.576 1.00 0.00 C ATOM 536 O LYS A 38 1.442 6.766 5.878 1.00 0.00 O ATOM 537 CB LYS A 38 -1.237 8.646 5.752 1.00 0.00 C ATOM 538 CG LYS A 38 -2.065 7.457 6.209 1.00 0.00 C ATOM 539 CD LYS A 38 -1.342 6.145 5.953 1.00 0.00 C ATOM 540 CE LYS A 38 -2.258 4.951 6.176 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.385 4.927 5.202 1.00 0.00 N ATOM 0 H LYS A 38 -0.197 10.781 6.550 1.00 0.00 H new ATOM 0 HA LYS A 38 0.093 8.278 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.782 9.564 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.116 8.600 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.284 7.552 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.021 7.455 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.965 6.130 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.478 6.070 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.682 4.030 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.655 4.983 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.253 4.618 5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.527 5.880 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.163 4.266 4.430 1.00 0.00 H new ATOM 555 N LEU A 39 1.677 8.553 4.532 1.00 0.00 N ATOM 556 CA LEU A 39 2.652 7.904 3.660 1.00 0.00 C ATOM 557 C LEU A 39 4.021 7.839 4.329 1.00 0.00 C ATOM 558 O LEU A 39 4.712 6.824 4.251 1.00 0.00 O ATOM 559 CB LEU A 39 2.755 8.656 2.331 1.00 0.00 C ATOM 560 CG LEU A 39 4.038 8.429 1.531 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.067 7.021 0.957 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.163 9.463 0.421 1.00 0.00 C ATOM 0 H LEU A 39 1.447 9.511 4.268 1.00 0.00 H new ATOM 0 HA LEU A 39 2.313 6.886 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.907 8.371 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.659 9.723 2.532 1.00 0.00 H new ATOM 0 HG LEU A 39 4.888 8.542 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.987 6.878 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.024 6.296 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.210 6.879 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.082 9.287 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.308 9.381 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.189 10.462 0.856 1.00 0.00 H new ATOM 574 N GLN A 40 4.405 8.929 4.986 1.00 0.00 N ATOM 575 CA GLN A 40 5.691 8.994 5.670 1.00 0.00 C ATOM 576 C GLN A 40 5.755 7.982 6.808 1.00 0.00 C ATOM 577 O GLN A 40 6.800 7.384 7.064 1.00 0.00 O ATOM 578 CB GLN A 40 5.935 10.403 6.211 1.00 0.00 C ATOM 579 CG GLN A 40 5.523 10.578 7.663 1.00 0.00 C ATOM 580 CD GLN A 40 5.704 12.000 8.155 1.00 0.00 C ATOM 581 OE1 GLN A 40 4.910 12.886 7.835 1.00 0.00 O ATOM 582 NE2 GLN A 40 6.752 12.228 8.938 1.00 0.00 N ATOM 0 H GLN A 40 3.845 9.778 5.059 1.00 0.00 H new ATOM 0 HA GLN A 40 6.470 8.750 4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.994 10.643 6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.387 11.118 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.478 10.289 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.111 9.904 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.385 11.465 9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.924 13.166 9.299 1.00 0.00 H new ATOM 591 N ASP A 41 4.630 7.794 7.490 1.00 0.00 N ATOM 592 CA ASP A 41 4.557 6.854 8.603 1.00 0.00 C ATOM 593 C ASP A 41 4.580 5.414 8.099 1.00 0.00 C ATOM 594 O ASP A 41 5.227 4.549 8.689 1.00 0.00 O ATOM 595 CB ASP A 41 3.291 7.101 9.424 1.00 0.00 C ATOM 596 CG ASP A 41 3.458 6.705 10.878 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.691 5.507 11.143 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.355 7.591 11.750 1.00 0.00 O ATOM 0 H ASP A 41 3.756 8.280 7.291 1.00 0.00 H new ATOM 0 HA ASP A 41 5.428 7.011 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.024 8.156 9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.464 6.539 8.990 1.00 0.00 H new ATOM 603 N LEU A 42 3.868 5.164 7.005 1.00 0.00 N ATOM 604 CA LEU A 42 3.805 3.829 6.422 1.00 0.00 C ATOM 605 C LEU A 42 5.178 3.386 5.927 1.00 0.00 C ATOM 606 O LEU A 42 5.633 2.284 6.232 1.00 0.00 O ATOM 607 CB LEU A 42 2.801 3.801 5.268 1.00 0.00 C ATOM 608 CG LEU A 42 1.361 3.447 5.640 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.447 3.593 4.434 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.287 2.033 6.200 1.00 0.00 C ATOM 0 H LEU A 42 3.327 5.869 6.504 1.00 0.00 H new ATOM 0 HA LEU A 42 3.477 3.136 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.801 4.780 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.150 3.083 4.526 1.00 0.00 H new ATOM 0 HG LEU A 42 1.024 4.140 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.574 3.337 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.477 4.623 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.782 2.924 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.255 1.798 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.643 1.326 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.910 1.962 7.091 1.00 0.00 H new ATOM 622 N GLU A 43 5.834 4.253 5.161 1.00 0.00 N ATOM 623 CA GLU A 43 7.156 3.951 4.626 1.00 0.00 C ATOM 624 C GLU A 43 8.120 3.560 5.743 1.00 0.00 C ATOM 625 O GLU A 43 9.057 2.791 5.528 1.00 0.00 O ATOM 626 CB GLU A 43 7.707 5.155 3.859 1.00 0.00 C ATOM 627 CG GLU A 43 7.268 5.204 2.405 1.00 0.00 C ATOM 628 CD GLU A 43 7.799 6.423 1.677 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.989 7.470 2.331 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.022 6.331 0.451 1.00 0.00 O ATOM 0 H GLU A 43 5.471 5.169 4.898 1.00 0.00 H new ATOM 0 HA GLU A 43 7.059 3.107 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.387 6.070 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.796 5.134 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.610 4.303 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.179 5.203 2.358 1.00 0.00 H new ATOM 637 N LEU A 44 7.883 4.097 6.935 1.00 0.00 N ATOM 638 CA LEU A 44 8.730 3.806 8.086 1.00 0.00 C ATOM 639 C LEU A 44 8.300 2.509 8.764 1.00 0.00 C ATOM 640 O LEU A 44 9.044 1.529 8.783 1.00 0.00 O ATOM 641 CB LEU A 44 8.676 4.961 9.088 1.00 0.00 C ATOM 642 CG LEU A 44 9.540 6.177 8.757 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.138 7.368 9.614 1.00 0.00 C ATOM 644 CD2 LEU A 44 11.014 5.853 8.950 1.00 0.00 C ATOM 0 H LEU A 44 7.112 4.736 7.129 1.00 0.00 H new ATOM 0 HA LEU A 44 9.754 3.687 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.641 5.290 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.976 4.582 10.065 1.00 0.00 H new ATOM 0 HG LEU A 44 9.380 6.438 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.764 8.224 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.093 7.615 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.268 7.119 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.614 6.731 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.191 5.565 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.295 5.030 8.292 1.00 0.00 H new ATOM 656 N LYS A 45 7.092 2.509 9.319 1.00 0.00 N ATOM 657 CA LYS A 45 6.560 1.333 9.995 1.00 0.00 C ATOM 658 C LYS A 45 6.798 0.074 9.166 1.00 0.00 C ATOM 659 O LYS A 45 7.168 -0.973 9.699 1.00 0.00 O ATOM 660 CB LYS A 45 5.063 1.505 10.260 1.00 0.00 C ATOM 661 CG LYS A 45 4.444 0.350 11.030 1.00 0.00 C ATOM 662 CD LYS A 45 3.029 0.673 11.478 1.00 0.00 C ATOM 663 CE LYS A 45 2.013 0.344 10.395 1.00 0.00 C ATOM 664 NZ LYS A 45 1.633 -1.095 10.411 1.00 0.00 N ATOM 0 H LYS A 45 6.463 3.312 9.313 1.00 0.00 H new ATOM 0 HA LYS A 45 7.082 1.225 10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.905 2.428 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.544 1.615 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.434 -0.542 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.059 0.121 11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.795 0.110 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.960 1.730 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.122 0.957 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.426 0.600 9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.939 -1.279 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.479 -1.679 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.215 -1.333 11.333 1.00 0.00 H new ATOM 678 N THR A 46 6.587 0.184 7.859 1.00 0.00 N ATOM 679 CA THR A 46 6.779 -0.944 6.956 1.00 0.00 C ATOM 680 C THR A 46 8.195 -0.963 6.394 1.00 0.00 C ATOM 681 O THR A 46 8.637 -1.965 5.830 1.00 0.00 O ATOM 682 CB THR A 46 5.776 -0.907 5.788 1.00 0.00 C ATOM 683 OG1 THR A 46 6.149 0.112 4.854 1.00 0.00 O ATOM 684 CG2 THR A 46 4.366 -0.646 6.294 1.00 0.00 C ATOM 0 H THR A 46 6.283 1.043 7.401 1.00 0.00 H new ATOM 0 HA THR A 46 6.610 -1.848 7.541 1.00 0.00 H new ATOM 0 HB THR A 46 5.793 -1.878 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.262 0.963 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.675 -0.624 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.074 -1.439 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.337 0.313 6.812 1.00 0.00 H new ATOM 692 N ALA A 47 8.905 0.149 6.552 1.00 0.00 N ATOM 693 CA ALA A 47 10.274 0.259 6.061 1.00 0.00 C ATOM 694 C ALA A 47 10.354 -0.080 4.576 1.00 0.00 C ATOM 695 O ALA A 47 11.331 -0.671 4.115 1.00 0.00 O ATOM 696 CB ALA A 47 11.195 -0.651 6.862 1.00 0.00 C ATOM 0 H ALA A 47 8.555 0.987 7.016 1.00 0.00 H new ATOM 0 HA ALA A 47 10.598 1.292 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.214 -0.560 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.169 -0.362 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.863 -1.684 6.762 1.00 0.00 H new ATOM 702 N THR A 48 9.319 0.300 3.832 1.00 0.00 N ATOM 703 CA THR A 48 9.273 0.035 2.399 1.00 0.00 C ATOM 704 C THR A 48 9.374 1.328 1.598 1.00 0.00 C ATOM 705 O THR A 48 9.311 2.423 2.156 1.00 0.00 O ATOM 706 CB THR A 48 7.977 -0.699 2.005 1.00 0.00 C ATOM 707 OG1 THR A 48 6.838 0.068 2.409 1.00 0.00 O ATOM 708 CG2 THR A 48 7.920 -2.077 2.648 1.00 0.00 C ATOM 0 H THR A 48 8.503 0.791 4.197 1.00 0.00 H new ATOM 0 HA THR A 48 10.127 -0.601 2.167 1.00 0.00 H new ATOM 0 HB THR A 48 7.968 -0.819 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.515 -0.257 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.996 -2.577 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.773 -2.669 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.949 -1.974 3.733 1.00 0.00 H new ATOM 716 N LYS A 49 9.530 1.194 0.285 1.00 0.00 N ATOM 717 CA LYS A 49 9.638 2.352 -0.595 1.00 0.00 C ATOM 718 C LYS A 49 8.346 2.563 -1.378 1.00 0.00 C ATOM 719 O LYS A 49 8.195 2.061 -2.492 1.00 0.00 O ATOM 720 CB LYS A 49 10.810 2.174 -1.563 1.00 0.00 C ATOM 721 CG LYS A 49 11.010 3.355 -2.498 1.00 0.00 C ATOM 722 CD LYS A 49 11.672 4.524 -1.786 1.00 0.00 C ATOM 723 CE LYS A 49 13.174 4.322 -1.662 1.00 0.00 C ATOM 724 NZ LYS A 49 13.535 3.583 -0.421 1.00 0.00 N ATOM 0 H LYS A 49 9.584 0.295 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 49 9.815 3.232 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.723 2.016 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.647 1.275 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.623 3.049 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.047 3.670 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.472 5.445 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.236 4.641 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.539 3.773 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.672 5.292 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.249 4.122 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.687 3.459 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.921 2.651 -0.672 1.00 0.00 H new ATOM 738 N ILE A 50 7.417 3.307 -0.788 1.00 0.00 N ATOM 739 CA ILE A 50 6.139 3.586 -1.432 1.00 0.00 C ATOM 740 C ILE A 50 6.278 4.687 -2.477 1.00 0.00 C ATOM 741 O ILE A 50 6.841 5.747 -2.204 1.00 0.00 O ATOM 742 CB ILE A 50 5.069 4.001 -0.404 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.885 2.902 0.644 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.752 4.300 -1.104 1.00 0.00 C ATOM 745 CD1 ILE A 50 4.082 3.344 1.847 1.00 0.00 C ATOM 0 H ILE A 50 7.525 3.728 0.135 1.00 0.00 H new ATOM 0 HA ILE A 50 5.824 2.664 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 50 5.403 4.907 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.390 2.048 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.865 2.561 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.005 4.592 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.895 5.113 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.411 3.410 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.991 2.515 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.586 4.178 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.089 3.658 1.526 1.00 0.00 H new ATOM 757 N GLN A 51 5.762 4.428 -3.673 1.00 0.00 N ATOM 758 CA GLN A 51 5.829 5.399 -4.760 1.00 0.00 C ATOM 759 C GLN A 51 4.459 5.589 -5.405 1.00 0.00 C ATOM 760 O GLN A 51 3.971 4.711 -6.118 1.00 0.00 O ATOM 761 CB GLN A 51 6.843 4.949 -5.813 1.00 0.00 C ATOM 762 CG GLN A 51 7.491 6.101 -6.564 1.00 0.00 C ATOM 763 CD GLN A 51 6.606 6.649 -7.667 1.00 0.00 C ATOM 764 OE1 GLN A 51 6.225 5.928 -8.589 1.00 0.00 O ATOM 765 NE2 GLN A 51 6.274 7.932 -7.576 1.00 0.00 N ATOM 0 H GLN A 51 5.293 3.555 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 51 6.150 6.353 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.621 4.359 -5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.345 4.294 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.727 6.900 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.435 5.765 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.613 8.492 -6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.680 8.357 -8.288 1.00 0.00 H new ATOM 774 N ILE A 52 3.845 6.739 -5.149 1.00 0.00 N ATOM 775 CA ILE A 52 2.533 7.044 -5.706 1.00 0.00 C ATOM 776 C ILE A 52 2.656 7.853 -6.992 1.00 0.00 C ATOM 777 O ILE A 52 3.417 8.816 -7.078 1.00 0.00 O ATOM 778 CB ILE A 52 1.664 7.825 -4.702 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.559 7.060 -3.381 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.282 8.079 -5.284 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.140 7.925 -2.213 1.00 0.00 C ATOM 0 H ILE A 52 4.235 7.475 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 52 2.053 6.090 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 52 2.137 8.787 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.841 6.248 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.523 6.604 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.320 8.632 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.375 8.661 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.200 7.127 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.086 7.316 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.870 8.722 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.162 8.361 -2.415 1.00 0.00 H new ATOM 793 N PRO A 53 1.887 7.455 -8.017 1.00 0.00 N ATOM 794 CA PRO A 53 1.890 8.130 -9.318 1.00 0.00 C ATOM 795 C PRO A 53 1.255 9.515 -9.252 1.00 0.00 C ATOM 796 O PRO A 53 0.288 9.732 -8.523 1.00 0.00 O ATOM 797 CB PRO A 53 1.056 7.201 -10.202 1.00 0.00 C ATOM 798 CG PRO A 53 0.166 6.473 -9.253 1.00 0.00 C ATOM 799 CD PRO A 53 0.956 6.314 -7.984 1.00 0.00 C ATOM 0 HA PRO A 53 2.901 8.298 -9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.478 7.765 -10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.689 6.511 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.753 7.031 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.124 5.503 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.313 6.345 -7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.487 5.363 -7.958 1.00 0.00 H new ATOM 807 N ARG A 54 1.805 10.450 -10.021 1.00 0.00 N ATOM 808 CA ARG A 54 1.294 11.815 -10.049 1.00 0.00 C ATOM 809 C ARG A 54 -0.205 11.826 -10.336 1.00 0.00 C ATOM 810 O ARG A 54 -0.769 10.869 -10.867 1.00 0.00 O ATOM 811 CB ARG A 54 2.032 12.637 -11.107 1.00 0.00 C ATOM 812 CG ARG A 54 3.273 13.336 -10.576 1.00 0.00 C ATOM 813 CD ARG A 54 3.740 14.434 -11.520 1.00 0.00 C ATOM 814 NE ARG A 54 4.998 15.033 -11.082 1.00 0.00 N ATOM 815 CZ ARG A 54 5.830 15.673 -11.897 1.00 0.00 C ATOM 816 NH1 ARG A 54 5.538 15.796 -13.184 1.00 0.00 N ATOM 817 NH2 ARG A 54 6.956 16.192 -11.424 1.00 0.00 N ATOM 0 H ARG A 54 2.605 10.287 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 54 1.464 12.261 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.318 11.982 -11.930 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.351 13.384 -11.516 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.060 13.763 -9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.072 12.607 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.864 14.023 -12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.974 15.207 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 54 5.252 14.956 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.673 15.399 -13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.178 16.288 -13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.184 16.100 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.594 16.683 -12.050 1.00 0.00 H new ATOM 831 N PRO A 55 -0.868 12.936 -9.976 1.00 0.00 N ATOM 832 CA PRO A 55 -2.309 13.100 -10.185 1.00 0.00 C ATOM 833 C PRO A 55 -2.669 13.246 -11.659 1.00 0.00 C ATOM 834 O PRO A 55 -3.834 13.119 -12.039 1.00 0.00 O ATOM 835 CB PRO A 55 -2.634 14.389 -9.425 1.00 0.00 C ATOM 836 CG PRO A 55 -1.352 15.149 -9.404 1.00 0.00 C ATOM 837 CD PRO A 55 -0.260 14.117 -9.339 1.00 0.00 C ATOM 0 HA PRO A 55 -2.871 12.232 -9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.422 14.955 -9.923 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.985 14.176 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.251 15.769 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.309 15.818 -8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.634 14.444 -9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.037 13.911 -8.311 1.00 0.00 H new ATOM 845 N ASP A 56 -1.664 13.512 -12.485 1.00 0.00 N ATOM 846 CA ASP A 56 -1.874 13.672 -13.920 1.00 0.00 C ATOM 847 C ASP A 56 -1.557 12.378 -14.663 1.00 0.00 C ATOM 848 O ASP A 56 -2.104 12.117 -15.735 1.00 0.00 O ATOM 849 CB ASP A 56 -1.008 14.811 -14.459 1.00 0.00 C ATOM 850 CG ASP A 56 -1.685 16.162 -14.336 1.00 0.00 C ATOM 851 OD1 ASP A 56 -2.684 16.391 -15.050 1.00 0.00 O ATOM 852 OD2 ASP A 56 -1.216 16.989 -13.527 1.00 0.00 O ATOM 0 H ASP A 56 -0.695 13.622 -12.186 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.924 13.916 -14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.062 14.831 -13.918 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.772 14.620 -15.506 1.00 0.00 H new ATOM 857 N ASP A 57 -0.670 11.574 -14.089 1.00 0.00 N ATOM 858 CA ASP A 57 -0.280 10.307 -14.697 1.00 0.00 C ATOM 859 C ASP A 57 -1.446 9.324 -14.703 1.00 0.00 C ATOM 860 O ASP A 57 -2.225 9.242 -13.753 1.00 0.00 O ATOM 861 CB ASP A 57 0.909 9.702 -13.950 1.00 0.00 C ATOM 862 CG ASP A 57 1.799 8.871 -14.853 1.00 0.00 C ATOM 863 OD1 ASP A 57 1.547 7.654 -14.977 1.00 0.00 O ATOM 864 OD2 ASP A 57 2.747 9.437 -15.435 1.00 0.00 O ATOM 0 H ASP A 57 -0.207 11.777 -13.203 1.00 0.00 H new ATOM 0 HA ASP A 57 0.011 10.503 -15.729 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.498 10.502 -13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.543 9.080 -13.134 1.00 0.00 H new ATOM 869 N PRO A 58 -1.573 8.561 -15.799 1.00 0.00 N ATOM 870 CA PRO A 58 -2.643 7.571 -15.954 1.00 0.00 C ATOM 871 C PRO A 58 -2.467 6.376 -15.023 1.00 0.00 C ATOM 872 O PRO A 58 -3.317 5.488 -14.970 1.00 0.00 O ATOM 873 CB PRO A 58 -2.511 7.134 -17.416 1.00 0.00 C ATOM 874 CG PRO A 58 -1.085 7.393 -17.761 1.00 0.00 C ATOM 875 CD PRO A 58 -0.681 8.605 -16.969 1.00 0.00 C ATOM 0 HA PRO A 58 -3.620 7.984 -15.704 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.763 6.081 -17.539 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.183 7.700 -18.061 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.461 6.536 -17.509 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.968 7.569 -18.830 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.368 8.562 -16.676 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.815 9.522 -17.542 1.00 0.00 H new ATOM 883 N SER A 59 -1.358 6.362 -14.289 1.00 0.00 N ATOM 884 CA SER A 59 -1.070 5.274 -13.362 1.00 0.00 C ATOM 885 C SER A 59 -1.725 5.527 -12.008 1.00 0.00 C ATOM 886 O SER A 59 -1.523 6.574 -11.394 1.00 0.00 O ATOM 887 CB SER A 59 0.442 5.112 -13.188 1.00 0.00 C ATOM 888 OG SER A 59 1.023 4.495 -14.323 1.00 0.00 O ATOM 0 H SER A 59 -0.645 7.091 -14.319 1.00 0.00 H new ATOM 0 HA SER A 59 -1.481 4.355 -13.779 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.899 6.088 -13.027 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.647 4.514 -12.300 1.00 0.00 H new ATOM 0 HG SER A 59 1.989 4.405 -14.187 1.00 0.00 H new ATOM 894 N ASN A 60 -2.512 4.559 -11.547 1.00 0.00 N ATOM 895 CA ASN A 60 -3.197 4.676 -10.266 1.00 0.00 C ATOM 896 C ASN A 60 -2.808 3.532 -9.334 1.00 0.00 C ATOM 897 O ASN A 60 -3.432 3.327 -8.295 1.00 0.00 O ATOM 898 CB ASN A 60 -4.713 4.685 -10.475 1.00 0.00 C ATOM 899 CG ASN A 60 -5.224 3.384 -11.064 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.731 2.920 -12.093 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.216 2.789 -10.414 1.00 0.00 N ATOM 0 H ASN A 60 -2.690 3.685 -12.042 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.894 5.616 -9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.207 4.867 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.981 5.510 -11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.601 1.911 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.594 3.209 -9.565 1.00 0.00 H new ATOM 908 N GLN A 61 -1.772 2.792 -9.716 1.00 0.00 N ATOM 909 CA GLN A 61 -1.299 1.669 -8.915 1.00 0.00 C ATOM 910 C GLN A 61 -0.071 2.061 -8.100 1.00 0.00 C ATOM 911 O GLN A 61 0.933 2.511 -8.651 1.00 0.00 O ATOM 912 CB GLN A 61 -0.971 0.476 -9.814 1.00 0.00 C ATOM 913 CG GLN A 61 -1.940 0.302 -10.972 1.00 0.00 C ATOM 914 CD GLN A 61 -1.384 -0.585 -12.069 1.00 0.00 C ATOM 915 OE1 GLN A 61 -1.347 -0.198 -13.238 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.949 -1.784 -11.698 1.00 0.00 N ATOM 0 H GLN A 61 -1.244 2.950 -10.575 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.094 1.386 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.037 0.597 -10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.970 -0.433 -9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.871 -0.126 -10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.182 1.280 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.998 -2.064 -10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.565 -2.425 -12.393 1.00 0.00 H new ATOM 925 N ILE A 62 -0.159 1.886 -6.786 1.00 0.00 N ATOM 926 CA ILE A 62 0.945 2.221 -5.895 1.00 0.00 C ATOM 927 C ILE A 62 2.038 1.160 -5.954 1.00 0.00 C ATOM 928 O ILE A 62 1.764 -0.019 -6.177 1.00 0.00 O ATOM 929 CB ILE A 62 0.469 2.371 -4.438 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.273 3.697 -4.255 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.649 2.281 -3.483 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.959 3.825 -2.913 1.00 0.00 C ATOM 0 H ILE A 62 -0.984 1.514 -6.315 1.00 0.00 H new ATOM 0 HA ILE A 62 1.347 3.175 -6.236 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.219 1.557 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.433 4.519 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.016 3.800 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.296 2.389 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.138 1.314 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.360 3.076 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.464 4.789 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.690 3.024 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.218 3.754 -2.117 1.00 0.00 H new ATOM 944 N LYS A 63 3.281 1.588 -5.750 1.00 0.00 N ATOM 945 CA LYS A 63 4.418 0.675 -5.777 1.00 0.00 C ATOM 946 C LYS A 63 4.995 0.484 -4.378 1.00 0.00 C ATOM 947 O LYS A 63 5.152 1.446 -3.625 1.00 0.00 O ATOM 948 CB LYS A 63 5.501 1.205 -6.719 1.00 0.00 C ATOM 949 CG LYS A 63 6.746 0.336 -6.764 1.00 0.00 C ATOM 950 CD LYS A 63 7.561 0.592 -8.020 1.00 0.00 C ATOM 951 CE LYS A 63 7.110 -0.298 -9.167 1.00 0.00 C ATOM 952 NZ LYS A 63 7.793 0.053 -10.443 1.00 0.00 N ATOM 0 H LYS A 63 3.525 2.561 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 63 4.069 -0.291 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.088 1.286 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.781 2.211 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.360 0.533 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.459 -0.715 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.465 1.638 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.616 0.414 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.314 -1.340 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.031 -0.207 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.458 -0.576 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.578 1.039 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.821 -0.059 -10.329 1.00 0.00 H new ATOM 966 N ILE A 64 5.310 -0.761 -4.037 1.00 0.00 N ATOM 967 CA ILE A 64 5.873 -1.075 -2.730 1.00 0.00 C ATOM 968 C ILE A 64 7.069 -2.012 -2.857 1.00 0.00 C ATOM 969 O ILE A 64 6.952 -3.120 -3.382 1.00 0.00 O ATOM 970 CB ILE A 64 4.823 -1.723 -1.806 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.775 -2.469 -2.635 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.163 -0.668 -0.933 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.752 -3.203 -1.795 1.00 0.00 C ATOM 0 H ILE A 64 5.185 -1.568 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 64 6.199 -0.132 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 64 5.324 -2.441 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.260 -1.758 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.279 -3.183 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.424 -1.141 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.920 -0.177 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.671 0.072 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.041 -3.709 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.256 -3.939 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.221 -2.491 -1.163 1.00 0.00 H new ATOM 985 N THR A 65 8.221 -1.560 -2.371 1.00 0.00 N ATOM 986 CA THR A 65 9.440 -2.357 -2.429 1.00 0.00 C ATOM 987 C THR A 65 10.089 -2.470 -1.054 1.00 0.00 C ATOM 988 O THR A 65 10.084 -1.519 -0.275 1.00 0.00 O ATOM 989 CB THR A 65 10.458 -1.756 -3.416 1.00 0.00 C ATOM 990 OG1 THR A 65 9.822 -1.487 -4.671 1.00 0.00 O ATOM 991 CG2 THR A 65 11.629 -2.703 -3.630 1.00 0.00 C ATOM 0 H THR A 65 8.335 -0.646 -1.933 1.00 0.00 H new ATOM 0 HA THR A 65 9.152 -3.350 -2.775 1.00 0.00 H new ATOM 0 HB THR A 65 10.836 -0.826 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.475 -1.103 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.335 -2.257 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.129 -2.885 -2.678 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.264 -3.647 -4.034 1.00 0.00 H new ATOM 999 N GLY A 66 10.648 -3.642 -0.764 1.00 0.00 N ATOM 1000 CA GLY A 66 11.294 -3.856 0.518 1.00 0.00 C ATOM 1001 C GLY A 66 11.338 -5.321 0.906 1.00 0.00 C ATOM 1002 O GLY A 66 11.458 -6.197 0.049 1.00 0.00 O ATOM 0 H GLY A 66 10.665 -4.445 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.310 -3.462 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.763 -3.295 1.287 1.00 0.00 H new ATOM 1006 N THR A 67 11.242 -5.590 2.205 1.00 0.00 N ATOM 1007 CA THR A 67 11.274 -6.959 2.706 1.00 0.00 C ATOM 1008 C THR A 67 9.908 -7.622 2.580 1.00 0.00 C ATOM 1009 O THR A 67 8.874 -6.978 2.758 1.00 0.00 O ATOM 1010 CB THR A 67 11.723 -7.007 4.179 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.815 -6.254 4.992 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.131 -6.453 4.334 1.00 0.00 C ATOM 0 H THR A 67 11.142 -4.878 2.929 1.00 0.00 H new ATOM 0 HA THR A 67 11.996 -7.503 2.096 1.00 0.00 H new ATOM 0 HB THR A 67 11.722 -8.048 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.106 -6.291 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.426 -6.497 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.823 -7.047 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.154 -5.418 3.994 1.00 0.00 H new ATOM 1020 N LYS A 68 9.909 -8.915 2.273 1.00 0.00 N ATOM 1021 CA LYS A 68 8.669 -9.668 2.125 1.00 0.00 C ATOM 1022 C LYS A 68 7.642 -9.233 3.165 1.00 0.00 C ATOM 1023 O LYS A 68 6.443 -9.195 2.888 1.00 0.00 O ATOM 1024 CB LYS A 68 8.941 -11.168 2.258 1.00 0.00 C ATOM 1025 CG LYS A 68 7.983 -12.032 1.456 1.00 0.00 C ATOM 1026 CD LYS A 68 6.712 -12.325 2.234 1.00 0.00 C ATOM 1027 CE LYS A 68 6.950 -13.355 3.327 1.00 0.00 C ATOM 1028 NZ LYS A 68 7.214 -14.709 2.765 1.00 0.00 N ATOM 0 H LYS A 68 10.756 -9.464 2.122 1.00 0.00 H new ATOM 0 HA LYS A 68 8.265 -9.464 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.961 -11.374 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.877 -11.449 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.731 -11.528 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.472 -12.969 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.336 -11.403 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.943 -12.688 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.796 -13.045 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.080 -13.397 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.103 -15.423 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.540 -14.904 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.184 -14.747 2.392 1.00 0.00 H new ATOM 1042 N GLU A 69 8.118 -8.905 4.362 1.00 0.00 N ATOM 1043 CA GLU A 69 7.239 -8.473 5.442 1.00 0.00 C ATOM 1044 C GLU A 69 6.855 -7.005 5.276 1.00 0.00 C ATOM 1045 O GLU A 69 5.695 -6.632 5.449 1.00 0.00 O ATOM 1046 CB GLU A 69 7.919 -8.682 6.796 1.00 0.00 C ATOM 1047 CG GLU A 69 8.255 -10.135 7.090 1.00 0.00 C ATOM 1048 CD GLU A 69 9.221 -10.286 8.250 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.003 -9.345 8.497 1.00 0.00 O ATOM 1050 OE2 GLU A 69 9.193 -11.346 8.910 1.00 0.00 O ATOM 0 H GLU A 69 9.108 -8.930 4.608 1.00 0.00 H new ATOM 0 HA GLU A 69 6.332 -9.076 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.835 -8.092 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.268 -8.302 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.337 -10.679 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.687 -10.592 6.200 1.00 0.00 H new ATOM 1057 N GLY A 70 7.838 -6.177 4.937 1.00 0.00 N ATOM 1058 CA GLY A 70 7.584 -4.759 4.753 1.00 0.00 C ATOM 1059 C GLY A 70 6.495 -4.494 3.733 1.00 0.00 C ATOM 1060 O GLY A 70 5.465 -3.900 4.054 1.00 0.00 O ATOM 0 H GLY A 70 8.806 -6.462 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.299 -4.317 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.503 -4.266 4.435 1.00 0.00 H new ATOM 1064 N ILE A 71 6.723 -4.932 2.499 1.00 0.00 N ATOM 1065 CA ILE A 71 5.753 -4.737 1.429 1.00 0.00 C ATOM 1066 C ILE A 71 4.375 -5.246 1.835 1.00 0.00 C ATOM 1067 O ILE A 71 3.369 -4.566 1.639 1.00 0.00 O ATOM 1068 CB ILE A 71 6.191 -5.451 0.135 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.555 -4.932 -0.322 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.150 -5.255 -0.956 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.186 -5.769 -1.413 1.00 0.00 C ATOM 0 H ILE A 71 7.571 -5.424 2.216 1.00 0.00 H new ATOM 0 HA ILE A 71 5.700 -3.664 1.243 1.00 0.00 H new ATOM 0 HB ILE A 71 6.279 -6.518 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.444 -3.908 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.228 -4.899 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.474 -5.765 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.196 -5.669 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.033 -4.191 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.151 -5.342 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.329 -6.788 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.533 -5.781 -2.286 1.00 0.00 H new ATOM 1083 N GLU A 72 4.339 -6.448 2.405 1.00 0.00 N ATOM 1084 CA GLU A 72 3.083 -7.048 2.841 1.00 0.00 C ATOM 1085 C GLU A 72 2.309 -6.094 3.746 1.00 0.00 C ATOM 1086 O GLU A 72 1.148 -5.777 3.487 1.00 0.00 O ATOM 1087 CB GLU A 72 3.348 -8.363 3.575 1.00 0.00 C ATOM 1088 CG GLU A 72 3.601 -9.539 2.646 1.00 0.00 C ATOM 1089 CD GLU A 72 2.318 -10.146 2.113 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.839 -9.686 1.055 1.00 0.00 O ATOM 1091 OE2 GLU A 72 1.791 -11.080 2.753 1.00 0.00 O ATOM 0 H GLU A 72 5.164 -7.024 2.575 1.00 0.00 H new ATOM 0 HA GLU A 72 2.480 -7.250 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.210 -8.236 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.494 -8.592 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.218 -9.211 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.167 -10.303 3.179 1.00 0.00 H new ATOM 1098 N LYS A 73 2.962 -5.639 4.811 1.00 0.00 N ATOM 1099 CA LYS A 73 2.338 -4.721 5.756 1.00 0.00 C ATOM 1100 C LYS A 73 1.647 -3.573 5.025 1.00 0.00 C ATOM 1101 O LYS A 73 0.440 -3.375 5.164 1.00 0.00 O ATOM 1102 CB LYS A 73 3.384 -4.164 6.725 1.00 0.00 C ATOM 1103 CG LYS A 73 3.829 -5.165 7.778 1.00 0.00 C ATOM 1104 CD LYS A 73 5.205 -4.824 8.325 1.00 0.00 C ATOM 1105 CE LYS A 73 5.390 -5.351 9.740 1.00 0.00 C ATOM 1106 NZ LYS A 73 5.371 -6.839 9.783 1.00 0.00 N ATOM 0 H LYS A 73 3.923 -5.891 5.041 1.00 0.00 H new ATOM 0 HA LYS A 73 1.587 -5.275 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.254 -3.835 6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.975 -3.284 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.106 -5.182 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.846 -6.166 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.971 -5.247 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.343 -3.743 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.336 -4.988 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.600 -4.959 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.534 -7.160 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.446 -7.184 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.119 -7.214 9.166 1.00 0.00 H new ATOM 1120 N ALA A 74 2.420 -2.823 4.247 1.00 0.00 N ATOM 1121 CA ALA A 74 1.880 -1.699 3.492 1.00 0.00 C ATOM 1122 C ALA A 74 0.792 -2.157 2.527 1.00 0.00 C ATOM 1123 O ALA A 74 -0.187 -1.446 2.299 1.00 0.00 O ATOM 1124 CB ALA A 74 2.994 -0.988 2.736 1.00 0.00 C ATOM 0 H ALA A 74 3.421 -2.973 4.123 1.00 0.00 H new ATOM 0 HA ALA A 74 1.431 -1.001 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.577 -0.151 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.736 -0.618 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.468 -1.686 2.046 1.00 0.00 H new ATOM 1130 N ARG A 75 0.969 -3.348 1.964 1.00 0.00 N ATOM 1131 CA ARG A 75 0.003 -3.899 1.022 1.00 0.00 C ATOM 1132 C ARG A 75 -1.302 -4.253 1.728 1.00 0.00 C ATOM 1133 O ARG A 75 -2.382 -4.161 1.144 1.00 0.00 O ATOM 1134 CB ARG A 75 0.578 -5.139 0.336 1.00 0.00 C ATOM 1135 CG ARG A 75 0.052 -5.355 -1.073 1.00 0.00 C ATOM 1136 CD ARG A 75 0.438 -6.725 -1.609 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.237 -7.031 -2.867 1.00 0.00 N ATOM 1138 CZ ARG A 75 -0.076 -8.172 -3.528 1.00 0.00 C ATOM 1139 NH1 ARG A 75 0.731 -9.109 -3.054 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.726 -8.377 -4.667 1.00 0.00 N ATOM 0 H ARG A 75 1.773 -3.950 2.144 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.206 -3.140 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.664 -5.053 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.348 -6.017 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.033 -5.255 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.446 -4.581 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.517 -6.765 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.190 -7.487 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.866 -6.331 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.231 -8.956 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.852 -9.984 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.349 -7.658 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.602 -9.253 -5.174 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.196 -4.661 2.989 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.368 -5.029 3.775 1.00 0.00 C ATOM 1156 C HIS A 76 -3.134 -3.789 4.223 1.00 0.00 C ATOM 1157 O HIS A 76 -4.360 -3.811 4.330 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.951 -5.854 4.994 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.094 -6.553 5.663 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.908 -7.457 5.015 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.558 -6.476 6.933 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.823 -7.906 5.854 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.632 -7.327 7.026 1.00 0.00 N ATOM 0 H HIS A 76 -0.310 -4.745 3.488 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.023 -5.630 3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.213 -6.595 4.686 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.463 -5.199 5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.158 -5.860 7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.596 -8.624 5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.191 -7.486 7.864 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.402 -2.710 4.484 1.00 0.00 N ATOM 1172 CA GLU A 77 -3.015 -1.461 4.921 1.00 0.00 C ATOM 1173 C GLU A 77 -3.670 -0.735 3.749 1.00 0.00 C ATOM 1174 O GLU A 77 -4.793 -0.243 3.857 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.968 -0.556 5.575 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.424 -1.102 6.884 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.456 -1.092 7.995 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.383 -1.927 7.952 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.335 -0.249 8.908 1.00 0.00 O ATOM 0 H GLU A 77 -1.386 -2.676 4.401 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.786 -1.701 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.141 -0.410 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.409 0.424 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.072 -2.122 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.561 -0.510 7.189 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.958 -0.672 2.628 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.468 -0.008 1.435 1.00 0.00 C ATOM 1188 C VAL A 78 -4.704 -0.719 0.896 1.00 0.00 C ATOM 1189 O VAL A 78 -5.668 -0.078 0.475 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.400 0.053 0.326 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.211 -1.316 -0.309 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.781 1.088 -0.722 1.00 0.00 C ATOM 0 H VAL A 78 -2.026 -1.073 2.522 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.735 1.007 1.728 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.452 0.353 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.453 -1.253 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.891 -2.029 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.153 -1.649 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.016 1.119 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.739 0.820 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.861 2.069 -0.253 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.671 -2.046 0.914 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.790 -2.847 0.427 1.00 0.00 C ATOM 1204 C LEU A 79 -6.978 -2.756 1.379 1.00 0.00 C ATOM 1205 O LEU A 79 -8.126 -2.643 0.946 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.364 -4.307 0.262 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.682 -4.663 -1.060 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.900 -5.959 -0.924 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.710 -4.771 -2.177 1.00 0.00 C ATOM 0 H LEU A 79 -3.882 -2.591 1.260 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.094 -2.452 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.686 -4.561 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.247 -4.937 0.373 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.982 -3.866 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.422 -6.197 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.138 -5.845 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.578 -6.766 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.208 -5.025 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.434 -5.548 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.226 -3.817 -2.290 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.696 -2.804 2.676 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.742 -2.724 3.690 1.00 0.00 C ATOM 1223 C LEU A 80 -8.524 -1.421 3.564 1.00 0.00 C ATOM 1224 O LEU A 80 -9.756 -1.423 3.562 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.133 -2.834 5.089 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.931 -4.252 5.624 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.237 -4.218 6.977 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.266 -4.977 5.725 1.00 0.00 C ATOM 0 H LEU A 80 -5.752 -2.898 3.051 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.430 -3.555 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.167 -2.328 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.773 -2.292 5.786 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.295 -4.797 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.102 -5.236 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.264 -3.737 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.847 -3.657 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.105 -5.985 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.925 -4.433 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.725 -5.033 4.738 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.802 -0.311 3.459 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.428 0.999 3.329 1.00 0.00 C ATOM 1242 C ILE A 81 -9.304 1.068 2.083 1.00 0.00 C ATOM 1243 O ILE A 81 -10.508 1.309 2.172 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.377 2.122 3.267 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.488 2.089 4.511 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -8.057 3.477 3.131 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -5.102 2.649 4.279 1.00 0.00 C ATOM 0 H ILE A 81 -6.782 -0.292 3.461 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.048 1.142 4.214 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.749 1.963 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.971 2.655 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.402 1.060 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.301 4.261 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.651 3.496 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.707 3.646 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.528 2.594 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.600 2.069 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.178 3.689 3.961 1.00 0.00 H new ATOM 1259 N SER A 82 -8.693 0.853 0.924 1.00 0.00 N ATOM 1260 CA SER A 82 -9.417 0.892 -0.341 1.00 0.00 C ATOM 1261 C SER A 82 -10.694 0.061 -0.263 1.00 0.00 C ATOM 1262 O SER A 82 -11.789 0.561 -0.515 1.00 0.00 O ATOM 1263 CB SER A 82 -8.530 0.379 -1.477 1.00 0.00 C ATOM 1264 OG SER A 82 -9.309 -0.188 -2.517 1.00 0.00 O ATOM 0 H SER A 82 -7.698 0.650 0.834 1.00 0.00 H new ATOM 0 HA SER A 82 -9.690 1.928 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.931 1.199 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.835 -0.367 -1.091 1.00 0.00 H new ATOM 0 HG SER A 82 -8.747 -0.778 -3.062 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.543 -1.211 0.089 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.684 -2.112 0.202 1.00 0.00 C ATOM 1272 C ALA A 83 -12.831 -1.453 0.960 1.00 0.00 C ATOM 1273 O ALA A 83 -13.954 -1.381 0.462 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.268 -3.405 0.891 1.00 0.00 C ATOM 0 H ALA A 83 -9.643 -1.641 0.301 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.034 -2.344 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.129 -4.069 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.486 -3.892 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.891 -3.181 1.889 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.541 -0.973 2.165 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.550 -0.321 2.991 1.00 0.00 C ATOM 1282 C GLU A 84 -14.305 0.737 2.192 1.00 0.00 C ATOM 1283 O GLU A 84 -15.530 0.834 2.275 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.899 0.319 4.220 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.782 -0.623 5.406 1.00 0.00 C ATOM 1286 CD GLU A 84 -14.065 -0.713 6.208 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.645 0.347 6.521 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.489 -1.845 6.524 1.00 0.00 O ATOM 0 H GLU A 84 -11.616 -1.023 2.591 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.261 -1.079 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.905 0.675 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.481 1.192 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.510 -1.617 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.975 -0.285 6.056 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.566 1.528 1.421 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.166 2.580 0.608 1.00 0.00 C ATOM 1297 C GLN A 85 -15.192 2.001 -0.361 1.00 0.00 C ATOM 1298 O GLN A 85 -16.294 2.530 -0.503 1.00 0.00 O ATOM 1299 CB GLN A 85 -13.084 3.334 -0.166 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.995 3.916 0.720 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.538 4.881 1.755 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.660 5.372 1.634 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.742 5.159 2.781 1.00 0.00 N ATOM 0 H GLN A 85 -12.551 1.461 1.342 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.676 3.275 1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.629 2.658 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.550 4.141 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.471 3.105 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.262 4.431 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.819 4.729 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.054 5.802 3.509 1.00 0.00 H new