USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=12 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 46 THR OG1 : rot -57:sc= 2.35 USER MOD Set 1.2: A 48 THR OG1 : rot -65:sc= 1.25 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 25 LYS NZ :NH3+ -142:sc= -0.48 (180deg=-1.69!) USER MOD Single : A 27 HIS : no HD1:sc= -8.11! C(o=-8.1!,f=-11!) USER MOD Single : A 28 HIS : no HD1:sc= -0.499 K(o=-0.5,f=-4.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -2.9 (180deg=-4.37!) USER MOD Single : A 40 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.029) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00114) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.29 K(o=0.29,f=-2.6!) 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 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.666 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0529) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 82 SER OG : rot -83:sc= 0.357 USER MOD Single : A 85 GLN : amide:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.190 -7.713 -3.227 1.00 0.00 N ATOM 215 CA ALA A 17 11.052 -7.830 -4.131 1.00 0.00 C ATOM 216 C ALA A 17 10.276 -6.519 -4.210 1.00 0.00 C ATOM 217 O ALA A 17 10.483 -5.616 -3.400 1.00 0.00 O ATOM 218 CB ALA A 17 10.138 -8.961 -3.684 1.00 0.00 C ATOM 0 HA ALA A 17 11.432 -8.057 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.292 -9.037 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.692 -9.899 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.773 -8.758 -2.677 1.00 0.00 H new ATOM 224 N SER A 18 9.385 -6.423 -5.191 1.00 0.00 N ATOM 225 CA SER A 18 8.581 -5.220 -5.378 1.00 0.00 C ATOM 226 C SER A 18 7.197 -5.571 -5.914 1.00 0.00 C ATOM 227 O SER A 18 7.067 -6.237 -6.940 1.00 0.00 O ATOM 228 CB SER A 18 9.283 -4.257 -6.337 1.00 0.00 C ATOM 229 OG SER A 18 9.960 -4.962 -7.364 1.00 0.00 O ATOM 0 H SER A 18 9.201 -7.163 -5.869 1.00 0.00 H new ATOM 0 HA SER A 18 8.464 -4.735 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.551 -3.580 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.994 -3.642 -5.784 1.00 0.00 H new ATOM 0 HG SER A 18 10.399 -4.324 -7.964 1.00 0.00 H new ATOM 235 N ALA A 19 6.164 -5.115 -5.211 1.00 0.00 N ATOM 236 CA ALA A 19 4.790 -5.378 -5.616 1.00 0.00 C ATOM 237 C ALA A 19 4.025 -4.077 -5.838 1.00 0.00 C ATOM 238 O ALA A 19 4.529 -2.991 -5.550 1.00 0.00 O ATOM 239 CB ALA A 19 4.086 -6.234 -4.572 1.00 0.00 C ATOM 0 H ALA A 19 6.254 -4.562 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 19 4.814 -5.922 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.060 -6.423 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.613 -7.182 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.081 -5.711 -3.616 1.00 0.00 H new ATOM 245 N THR A 20 2.805 -4.194 -6.353 1.00 0.00 N ATOM 246 CA THR A 20 1.971 -3.027 -6.617 1.00 0.00 C ATOM 247 C THR A 20 0.521 -3.288 -6.227 1.00 0.00 C ATOM 248 O THR A 20 0.068 -4.434 -6.213 1.00 0.00 O ATOM 249 CB THR A 20 2.027 -2.620 -8.100 1.00 0.00 C ATOM 250 OG1 THR A 20 2.230 -3.777 -8.919 1.00 0.00 O ATOM 251 CG2 THR A 20 3.145 -1.618 -8.345 1.00 0.00 C ATOM 0 H THR A 20 2.372 -5.085 -6.596 1.00 0.00 H new ATOM 0 HA THR A 20 2.366 -2.213 -6.010 1.00 0.00 H new ATOM 0 HB THR A 20 1.077 -2.153 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.263 -3.509 -9.861 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.165 -1.346 -9.400 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.972 -0.726 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.100 -2.064 -8.068 1.00 0.00 H new ATOM 259 N VAL A 21 -0.204 -2.220 -5.911 1.00 0.00 N ATOM 260 CA VAL A 21 -1.605 -2.334 -5.522 1.00 0.00 C ATOM 261 C VAL A 21 -2.488 -1.441 -6.385 1.00 0.00 C ATOM 262 O VAL A 21 -2.446 -0.215 -6.275 1.00 0.00 O ATOM 263 CB VAL A 21 -1.808 -1.964 -4.041 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.182 -0.611 -3.738 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.289 -1.965 -3.692 1.00 0.00 C ATOM 0 H VAL A 21 0.156 -1.265 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.892 -3.375 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.311 -2.713 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.335 -0.366 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.113 -0.649 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.648 0.153 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.416 -1.702 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.810 -1.237 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.704 -2.957 -3.870 1.00 0.00 H new ATOM 275 N ALA A 22 -3.290 -2.062 -7.245 1.00 0.00 N ATOM 276 CA ALA A 22 -4.186 -1.323 -8.124 1.00 0.00 C ATOM 277 C ALA A 22 -5.317 -0.672 -7.336 1.00 0.00 C ATOM 278 O ALA A 22 -6.171 -1.359 -6.775 1.00 0.00 O ATOM 279 CB ALA A 22 -4.750 -2.243 -9.197 1.00 0.00 C ATOM 0 H ALA A 22 -3.337 -3.075 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.611 -0.531 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.418 -1.678 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.933 -2.656 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.304 -3.055 -8.726 1.00 0.00 H new ATOM 285 N ILE A 23 -5.317 0.656 -7.295 1.00 0.00 N ATOM 286 CA ILE A 23 -6.343 1.399 -6.575 1.00 0.00 C ATOM 287 C ILE A 23 -6.655 2.720 -7.268 1.00 0.00 C ATOM 288 O ILE A 23 -5.832 3.277 -7.995 1.00 0.00 O ATOM 289 CB ILE A 23 -5.918 1.682 -5.121 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.442 2.082 -5.068 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.174 0.464 -4.247 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.940 2.356 -3.668 1.00 0.00 C ATOM 0 H ILE A 23 -4.617 1.240 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.237 0.776 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.514 2.510 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.842 1.287 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.293 2.972 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.869 0.680 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.236 0.220 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.601 -0.382 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.887 2.634 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.514 3.172 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.057 1.460 -3.058 1.00 0.00 H new ATOM 304 N PRO A 24 -7.872 3.237 -7.039 1.00 0.00 N ATOM 305 CA PRO A 24 -8.318 4.501 -7.630 1.00 0.00 C ATOM 306 C PRO A 24 -7.590 5.706 -7.045 1.00 0.00 C ATOM 307 O PRO A 24 -7.296 5.747 -5.851 1.00 0.00 O ATOM 308 CB PRO A 24 -9.806 4.552 -7.274 1.00 0.00 C ATOM 309 CG PRO A 24 -9.931 3.715 -6.048 1.00 0.00 C ATOM 310 CD PRO A 24 -8.902 2.627 -6.183 1.00 0.00 C ATOM 0 HA PRO A 24 -8.118 4.542 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.134 5.575 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.421 4.161 -8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.756 4.309 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.933 3.296 -5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.498 2.334 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.323 1.730 -6.637 1.00 0.00 H new ATOM 318 N LYS A 25 -7.299 6.685 -7.895 1.00 0.00 N ATOM 319 CA LYS A 25 -6.605 7.893 -7.463 1.00 0.00 C ATOM 320 C LYS A 25 -7.362 8.579 -6.330 1.00 0.00 C ATOM 321 O LYS A 25 -6.831 9.471 -5.668 1.00 0.00 O ATOM 322 CB LYS A 25 -6.439 8.859 -8.638 1.00 0.00 C ATOM 323 CG LYS A 25 -5.433 8.389 -9.674 1.00 0.00 C ATOM 324 CD LYS A 25 -4.804 9.559 -10.411 1.00 0.00 C ATOM 325 CE LYS A 25 -5.599 9.927 -11.654 1.00 0.00 C ATOM 326 NZ LYS A 25 -5.931 8.730 -12.475 1.00 0.00 N ATOM 0 H LYS A 25 -7.533 6.666 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.620 7.605 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.406 9.000 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.128 9.832 -8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.654 7.804 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.926 7.730 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.747 10.421 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.782 9.306 -10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.519 10.432 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.026 10.633 -12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.860 8.971 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.265 7.962 -12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.900 8.420 -12.260 1.00 0.00 H new ATOM 340 N GLU A 26 -8.603 8.156 -6.112 1.00 0.00 N ATOM 341 CA GLU A 26 -9.431 8.731 -5.057 1.00 0.00 C ATOM 342 C GLU A 26 -9.062 8.147 -3.696 1.00 0.00 C ATOM 343 O GLU A 26 -9.276 8.777 -2.660 1.00 0.00 O ATOM 344 CB GLU A 26 -10.912 8.478 -5.346 1.00 0.00 C ATOM 345 CG GLU A 26 -11.419 7.149 -4.813 1.00 0.00 C ATOM 346 CD GLU A 26 -12.585 6.604 -5.615 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.876 7.165 -6.694 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.205 5.618 -5.167 1.00 0.00 O ATOM 0 H GLU A 26 -9.057 7.418 -6.651 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.250 9.806 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.501 9.284 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.074 8.513 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.605 6.424 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.724 7.271 -3.774 1.00 0.00 H new ATOM 355 N HIS A 27 -8.505 6.941 -3.707 1.00 0.00 N ATOM 356 CA HIS A 27 -8.105 6.272 -2.474 1.00 0.00 C ATOM 357 C HIS A 27 -6.668 6.627 -2.105 1.00 0.00 C ATOM 358 O HIS A 27 -6.254 6.468 -0.956 1.00 0.00 O ATOM 359 CB HIS A 27 -8.246 4.756 -2.622 1.00 0.00 C ATOM 360 CG HIS A 27 -9.666 4.297 -2.740 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.013 3.002 -3.067 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.830 4.965 -2.572 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.330 2.896 -3.095 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.849 4.073 -2.798 1.00 0.00 N ATOM 0 H HIS A 27 -8.320 6.407 -4.556 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.762 6.614 -1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.693 4.432 -3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.786 4.271 -1.761 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.938 6.007 -2.309 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.887 1.999 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.845 4.285 -2.745 1.00 0.00 H new ATOM 372 N HIS A 28 -5.911 7.109 -3.086 1.00 0.00 N ATOM 373 CA HIS A 28 -4.520 7.487 -2.865 1.00 0.00 C ATOM 374 C HIS A 28 -4.409 8.511 -1.740 1.00 0.00 C ATOM 375 O HIS A 28 -3.460 8.485 -0.955 1.00 0.00 O ATOM 376 CB HIS A 28 -3.912 8.052 -4.148 1.00 0.00 C ATOM 377 CG HIS A 28 -3.520 7.000 -5.139 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.744 7.263 -6.248 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.801 5.677 -5.184 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.564 6.147 -6.933 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.195 5.169 -6.307 1.00 0.00 N ATOM 0 H HIS A 28 -6.238 7.247 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.968 6.593 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.629 8.728 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.034 8.645 -3.893 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.392 5.123 -4.469 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.998 6.051 -7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.227 4.195 -6.609 1.00 0.00 H new ATOM 389 N ARG A 29 -5.381 9.414 -1.669 1.00 0.00 N ATOM 390 CA ARG A 29 -5.392 10.448 -0.642 1.00 0.00 C ATOM 391 C ARG A 29 -5.469 9.830 0.751 1.00 0.00 C ATOM 392 O ARG A 29 -4.887 10.349 1.705 1.00 0.00 O ATOM 393 CB ARG A 29 -6.571 11.399 -0.856 1.00 0.00 C ATOM 394 CG ARG A 29 -7.926 10.721 -0.745 1.00 0.00 C ATOM 395 CD ARG A 29 -9.013 11.536 -1.429 1.00 0.00 C ATOM 396 NE ARG A 29 -10.348 11.013 -1.150 1.00 0.00 N ATOM 397 CZ ARG A 29 -11.461 11.534 -1.652 1.00 0.00 C ATOM 398 NH1 ARG A 29 -11.402 12.588 -2.455 1.00 0.00 N ATOM 399 NH2 ARG A 29 -12.640 11.002 -1.350 1.00 0.00 N ATOM 0 H ARG A 29 -6.172 9.450 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.462 11.011 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.516 12.204 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.483 11.858 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.876 9.729 -1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.180 10.582 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.953 12.572 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.842 11.537 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.430 10.203 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.499 13.001 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.259 12.985 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.691 10.192 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.495 11.403 -1.736 1.00 0.00 H new ATOM 413 N PHE A 30 -6.191 8.721 0.862 1.00 0.00 N ATOM 414 CA PHE A 30 -6.346 8.033 2.139 1.00 0.00 C ATOM 415 C PHE A 30 -5.057 7.320 2.533 1.00 0.00 C ATOM 416 O PHE A 30 -4.919 6.836 3.657 1.00 0.00 O ATOM 417 CB PHE A 30 -7.496 7.027 2.063 1.00 0.00 C ATOM 418 CG PHE A 30 -8.855 7.662 2.145 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.401 8.004 3.372 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.587 7.914 0.997 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.651 8.589 3.451 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.837 8.499 1.070 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.370 8.835 2.298 1.00 0.00 C ATOM 0 H PHE A 30 -6.679 8.279 0.083 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.574 8.779 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.420 6.470 1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.391 6.306 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.844 7.811 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.176 7.650 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.065 8.853 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.396 8.693 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.348 9.290 2.357 1.00 0.00 H new ATOM 433 N VAL A 31 -4.113 7.257 1.598 1.00 0.00 N ATOM 434 CA VAL A 31 -2.833 6.603 1.846 1.00 0.00 C ATOM 435 C VAL A 31 -1.732 7.629 2.096 1.00 0.00 C ATOM 436 O VAL A 31 -0.755 7.347 2.790 1.00 0.00 O ATOM 437 CB VAL A 31 -2.423 5.704 0.665 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.239 4.829 1.046 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.601 4.854 0.210 1.00 0.00 C ATOM 0 H VAL A 31 -4.211 7.651 0.662 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.960 5.985 2.735 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.120 6.340 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.964 4.201 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.393 5.460 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.510 4.198 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.294 4.224 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.936 4.225 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.418 5.503 -0.106 1.00 0.00 H new ATOM 449 N ILE A 32 -1.898 8.817 1.525 1.00 0.00 N ATOM 450 CA ILE A 32 -0.918 9.884 1.688 1.00 0.00 C ATOM 451 C ILE A 32 -1.137 10.637 2.997 1.00 0.00 C ATOM 452 O ILE A 32 -0.181 11.052 3.653 1.00 0.00 O ATOM 453 CB ILE A 32 -0.977 10.885 0.518 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.827 10.152 -0.816 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.104 11.944 0.672 1.00 0.00 C ATOM 456 CD1 ILE A 32 -1.434 10.895 -1.986 1.00 0.00 C ATOM 0 H ILE A 32 -2.700 9.065 0.946 1.00 0.00 H new ATOM 0 HA ILE A 32 0.064 9.411 1.703 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.948 11.381 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.232 9.985 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.295 9.171 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.049 12.644 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.045 12.483 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.083 11.466 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.290 10.316 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.500 11.039 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.949 11.866 -2.092 1.00 0.00 H new ATOM 468 N GLY A 33 -2.400 10.806 3.372 1.00 0.00 N ATOM 469 CA GLY A 33 -2.722 11.506 4.602 1.00 0.00 C ATOM 470 C GLY A 33 -3.313 12.879 4.351 1.00 0.00 C ATOM 471 O GLY A 33 -3.292 13.375 3.225 1.00 0.00 O ATOM 0 H GLY A 33 -3.207 10.471 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.428 10.911 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.820 11.607 5.206 1.00 0.00 H new ATOM 475 N LYS A 34 -3.845 13.493 5.401 1.00 0.00 N ATOM 476 CA LYS A 34 -4.446 14.817 5.290 1.00 0.00 C ATOM 477 C LYS A 34 -3.604 15.724 4.400 1.00 0.00 C ATOM 478 O LYS A 34 -4.051 16.154 3.338 1.00 0.00 O ATOM 479 CB LYS A 34 -4.601 15.446 6.677 1.00 0.00 C ATOM 480 CG LYS A 34 -5.444 16.711 6.680 1.00 0.00 C ATOM 481 CD LYS A 34 -6.924 16.393 6.807 1.00 0.00 C ATOM 482 CE LYS A 34 -7.339 16.239 8.261 1.00 0.00 C ATOM 483 NZ LYS A 34 -8.799 15.980 8.398 1.00 0.00 N ATOM 0 H LYS A 34 -3.873 13.095 6.340 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.431 14.705 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.053 14.717 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.613 15.677 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.136 17.353 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.268 17.269 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.509 17.187 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.147 15.474 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.781 15.419 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.078 17.143 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.041 15.881 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.332 16.774 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.045 15.103 7.895 1.00 0.00 H new ATOM 497 N ASN A 35 -2.383 16.010 4.838 1.00 0.00 N ATOM 498 CA ASN A 35 -1.478 16.864 4.079 1.00 0.00 C ATOM 499 C ASN A 35 -0.339 16.050 3.473 1.00 0.00 C ATOM 500 O ASN A 35 0.191 16.395 2.419 1.00 0.00 O ATOM 501 CB ASN A 35 -0.911 17.966 4.977 1.00 0.00 C ATOM 502 CG ASN A 35 -1.951 19.008 5.341 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.480 19.702 4.473 1.00 0.00 O ATOM 504 ND2 ASN A 35 -2.247 19.123 6.630 1.00 0.00 N ATOM 0 H ASN A 35 -1.997 15.662 5.716 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.045 17.320 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.514 17.519 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.077 18.451 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.938 19.808 6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.783 18.526 7.315 1.00 0.00 H new ATOM 511 N GLY A 36 0.030 14.965 4.149 1.00 0.00 N ATOM 512 CA GLY A 36 1.103 14.118 3.662 1.00 0.00 C ATOM 513 C GLY A 36 1.867 13.448 4.785 1.00 0.00 C ATOM 514 O GLY A 36 3.099 13.441 4.789 1.00 0.00 O ATOM 0 H GLY A 36 -0.395 14.658 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.689 13.355 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.791 14.716 3.065 1.00 0.00 H new ATOM 518 N GLU A 37 1.137 12.885 5.743 1.00 0.00 N ATOM 519 CA GLU A 37 1.757 12.212 6.878 1.00 0.00 C ATOM 520 C GLU A 37 1.513 10.707 6.817 1.00 0.00 C ATOM 521 O GLU A 37 2.432 9.909 7.009 1.00 0.00 O ATOM 522 CB GLU A 37 1.211 12.775 8.193 1.00 0.00 C ATOM 523 CG GLU A 37 1.042 14.285 8.185 1.00 0.00 C ATOM 524 CD GLU A 37 2.301 15.015 8.607 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.960 14.557 9.563 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.627 16.047 7.982 1.00 0.00 O ATOM 0 H GLU A 37 0.117 12.882 5.756 1.00 0.00 H new ATOM 0 HA GLU A 37 2.831 12.391 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.248 12.311 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.884 12.497 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.757 14.610 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.226 14.559 8.854 1.00 0.00 H new ATOM 533 N LYS A 38 0.269 10.325 6.551 1.00 0.00 N ATOM 534 CA LYS A 38 -0.098 8.916 6.463 1.00 0.00 C ATOM 535 C LYS A 38 0.974 8.120 5.724 1.00 0.00 C ATOM 536 O LYS A 38 1.631 7.256 6.305 1.00 0.00 O ATOM 537 CB LYS A 38 -1.444 8.762 5.753 1.00 0.00 C ATOM 538 CG LYS A 38 -2.178 7.481 6.112 1.00 0.00 C ATOM 539 CD LYS A 38 -1.253 6.276 6.062 1.00 0.00 C ATOM 540 CE LYS A 38 -1.968 5.007 6.499 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.052 4.625 5.552 1.00 0.00 N ATOM 0 H LYS A 38 -0.503 10.972 6.392 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.183 8.524 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.076 9.615 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.282 8.788 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.604 7.572 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.009 7.332 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.872 6.150 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.392 6.450 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.248 4.192 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.390 5.152 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.929 4.446 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.209 5.398 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.776 3.764 5.038 1.00 0.00 H new ATOM 555 N LEU A 39 1.145 8.417 4.441 1.00 0.00 N ATOM 556 CA LEU A 39 2.138 7.730 3.623 1.00 0.00 C ATOM 557 C LEU A 39 3.488 7.681 4.331 1.00 0.00 C ATOM 558 O LEU A 39 4.145 6.640 4.363 1.00 0.00 O ATOM 559 CB LEU A 39 2.285 8.428 2.269 1.00 0.00 C ATOM 560 CG LEU A 39 3.631 8.254 1.566 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.757 6.850 0.996 1.00 0.00 C ATOM 562 CD2 LEU A 39 3.799 9.295 0.468 1.00 0.00 C ATOM 0 H LEU A 39 0.609 9.129 3.945 1.00 0.00 H new ATOM 0 HA LEU A 39 1.795 6.708 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.502 8.060 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.107 9.494 2.411 1.00 0.00 H new ATOM 0 HG LEU A 39 4.424 8.399 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.721 6.744 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.683 6.122 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.957 6.676 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.763 9.155 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.000 9.183 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.754 10.293 0.903 1.00 0.00 H new ATOM 574 N GLN A 40 3.893 8.812 4.900 1.00 0.00 N ATOM 575 CA GLN A 40 5.164 8.896 5.610 1.00 0.00 C ATOM 576 C GLN A 40 5.263 7.814 6.679 1.00 0.00 C ATOM 577 O GLN A 40 6.238 7.063 6.729 1.00 0.00 O ATOM 578 CB GLN A 40 5.325 10.276 6.247 1.00 0.00 C ATOM 579 CG GLN A 40 4.985 11.423 5.310 1.00 0.00 C ATOM 580 CD GLN A 40 5.732 11.341 3.992 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.156 11.551 2.924 1.00 0.00 O ATOM 582 NE2 GLN A 40 7.022 11.035 4.061 1.00 0.00 N ATOM 0 H GLN A 40 3.360 9.682 4.883 1.00 0.00 H new ATOM 0 HA GLN A 40 5.966 8.741 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.687 10.337 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.353 10.391 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.912 11.423 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.221 12.368 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.459 10.869 4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.576 10.966 3.207 1.00 0.00 H new ATOM 591 N ASP A 41 4.249 7.739 7.534 1.00 0.00 N ATOM 592 CA ASP A 41 4.221 6.748 8.603 1.00 0.00 C ATOM 593 C ASP A 41 4.328 5.335 8.038 1.00 0.00 C ATOM 594 O ASP A 41 5.124 4.523 8.514 1.00 0.00 O ATOM 595 CB ASP A 41 2.937 6.886 9.423 1.00 0.00 C ATOM 596 CG ASP A 41 3.051 6.244 10.791 1.00 0.00 C ATOM 597 OD1 ASP A 41 2.950 5.002 10.873 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.241 6.983 11.780 1.00 0.00 O ATOM 0 H ASP A 41 3.435 8.353 7.507 1.00 0.00 H new ATOM 0 HA ASP A 41 5.078 6.927 9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.696 7.943 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.111 6.429 8.878 1.00 0.00 H new ATOM 603 N LEU A 42 3.524 5.048 7.021 1.00 0.00 N ATOM 604 CA LEU A 42 3.528 3.732 6.391 1.00 0.00 C ATOM 605 C LEU A 42 4.937 3.341 5.955 1.00 0.00 C ATOM 606 O LEU A 42 5.437 2.278 6.322 1.00 0.00 O ATOM 607 CB LEU A 42 2.587 3.720 5.185 1.00 0.00 C ATOM 608 CG LEU A 42 1.137 3.324 5.468 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.270 3.563 4.243 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.059 1.868 5.905 1.00 0.00 C ATOM 0 H LEU A 42 2.861 5.708 6.615 1.00 0.00 H new ATOM 0 HA LEU A 42 3.179 3.004 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.590 4.714 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.991 3.034 4.441 1.00 0.00 H new ATOM 0 HG LEU A 42 0.761 3.947 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.758 3.276 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.302 4.619 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.643 2.966 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.020 1.603 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.453 1.229 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.648 1.728 6.812 1.00 0.00 H new ATOM 622 N GLU A 43 5.571 4.209 5.172 1.00 0.00 N ATOM 623 CA GLU A 43 6.923 3.954 4.688 1.00 0.00 C ATOM 624 C GLU A 43 7.838 3.524 5.831 1.00 0.00 C ATOM 625 O GLU A 43 8.710 2.672 5.657 1.00 0.00 O ATOM 626 CB GLU A 43 7.489 5.203 4.009 1.00 0.00 C ATOM 627 CG GLU A 43 7.031 5.373 2.570 1.00 0.00 C ATOM 628 CD GLU A 43 7.466 6.697 1.972 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.177 7.747 2.582 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.097 6.682 0.894 1.00 0.00 O ATOM 0 H GLU A 43 5.171 5.094 4.860 1.00 0.00 H new ATOM 0 HA GLU A 43 6.874 3.144 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.195 6.083 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.578 5.157 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.430 4.558 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.944 5.299 2.527 1.00 0.00 H new ATOM 637 N LEU A 44 7.633 4.121 7.001 1.00 0.00 N ATOM 638 CA LEU A 44 8.440 3.801 8.174 1.00 0.00 C ATOM 639 C LEU A 44 7.966 2.505 8.824 1.00 0.00 C ATOM 640 O LEU A 44 8.675 1.500 8.820 1.00 0.00 O ATOM 641 CB LEU A 44 8.378 4.945 9.187 1.00 0.00 C ATOM 642 CG LEU A 44 9.263 6.156 8.886 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.675 7.413 9.509 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.678 5.920 9.390 1.00 0.00 C ATOM 0 H LEU A 44 6.916 4.828 7.162 1.00 0.00 H new ATOM 0 HA LEU A 44 9.472 3.667 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.345 5.284 9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.654 4.553 10.166 1.00 0.00 H new ATOM 0 HG LEU A 44 9.303 6.295 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.317 8.265 9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.681 7.591 9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.605 7.285 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.294 6.792 9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.658 5.756 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.098 5.043 8.897 1.00 0.00 H new ATOM 656 N LYS A 45 6.759 2.536 9.381 1.00 0.00 N ATOM 657 CA LYS A 45 6.187 1.363 10.031 1.00 0.00 C ATOM 658 C LYS A 45 6.496 0.097 9.240 1.00 0.00 C ATOM 659 O LYS A 45 6.726 -0.968 9.815 1.00 0.00 O ATOM 660 CB LYS A 45 4.673 1.527 10.183 1.00 0.00 C ATOM 661 CG LYS A 45 4.063 0.606 11.225 1.00 0.00 C ATOM 662 CD LYS A 45 2.725 1.130 11.719 1.00 0.00 C ATOM 663 CE LYS A 45 1.631 0.933 10.680 1.00 0.00 C ATOM 664 NZ LYS A 45 0.274 1.139 11.257 1.00 0.00 N ATOM 0 H LYS A 45 6.159 3.361 9.395 1.00 0.00 H new ATOM 0 HA LYS A 45 6.637 1.270 11.019 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.453 2.561 10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.197 1.339 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.930 -0.389 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.748 0.504 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.450 0.617 12.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.814 2.190 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.784 1.629 9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.701 -0.073 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.443 0.996 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.117 0.458 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.198 2.107 11.630 1.00 0.00 H new ATOM 678 N THR A 46 6.499 0.217 7.916 1.00 0.00 N ATOM 679 CA THR A 46 6.780 -0.918 7.046 1.00 0.00 C ATOM 680 C THR A 46 8.212 -0.871 6.525 1.00 0.00 C ATOM 681 O THR A 46 8.743 -1.874 6.051 1.00 0.00 O ATOM 682 CB THR A 46 5.811 -0.961 5.849 1.00 0.00 C ATOM 683 OG1 THR A 46 6.132 0.082 4.922 1.00 0.00 O ATOM 684 CG2 THR A 46 4.371 -0.810 6.312 1.00 0.00 C ATOM 0 H THR A 46 6.310 1.090 7.423 1.00 0.00 H new ATOM 0 HA THR A 46 6.645 -1.818 7.646 1.00 0.00 H new ATOM 0 HB THR A 46 5.917 -1.928 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.103 0.948 5.380 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.706 -0.843 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.121 -1.622 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.252 0.144 6.825 1.00 0.00 H new ATOM 692 N ALA A 47 8.831 0.302 6.617 1.00 0.00 N ATOM 693 CA ALA A 47 10.203 0.478 6.158 1.00 0.00 C ATOM 694 C ALA A 47 10.333 0.144 4.675 1.00 0.00 C ATOM 695 O ALA A 47 11.357 -0.379 4.232 1.00 0.00 O ATOM 696 CB ALA A 47 11.151 -0.383 6.979 1.00 0.00 C ATOM 0 H ALA A 47 8.404 1.143 7.005 1.00 0.00 H new ATOM 0 HA ALA A 47 10.472 1.525 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.172 -0.240 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.088 -0.095 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.873 -1.432 6.874 1.00 0.00 H new ATOM 702 N THR A 48 9.289 0.448 3.910 1.00 0.00 N ATOM 703 CA THR A 48 9.285 0.179 2.478 1.00 0.00 C ATOM 704 C THR A 48 9.319 1.474 1.675 1.00 0.00 C ATOM 705 O THR A 48 9.131 2.562 2.221 1.00 0.00 O ATOM 706 CB THR A 48 8.046 -0.636 2.063 1.00 0.00 C ATOM 707 OG1 THR A 48 6.853 0.074 2.411 1.00 0.00 O ATOM 708 CG2 THR A 48 8.044 -2.000 2.739 1.00 0.00 C ATOM 0 H THR A 48 8.434 0.881 4.259 1.00 0.00 H new ATOM 0 HA THR A 48 10.182 -0.402 2.263 1.00 0.00 H new ATOM 0 HB THR A 48 8.080 -0.782 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.789 0.148 3.386 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.160 -2.558 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.939 -2.551 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.032 -1.870 3.821 1.00 0.00 H new ATOM 716 N LYS A 49 9.561 1.352 0.374 1.00 0.00 N ATOM 717 CA LYS A 49 9.618 2.512 -0.507 1.00 0.00 C ATOM 718 C LYS A 49 8.329 2.650 -1.310 1.00 0.00 C ATOM 719 O LYS A 49 8.210 2.106 -2.408 1.00 0.00 O ATOM 720 CB LYS A 49 10.813 2.399 -1.456 1.00 0.00 C ATOM 721 CG LYS A 49 12.098 2.979 -0.889 1.00 0.00 C ATOM 722 CD LYS A 49 12.553 2.222 0.347 1.00 0.00 C ATOM 723 CE LYS A 49 13.306 0.953 -0.023 1.00 0.00 C ATOM 724 NZ LYS A 49 14.712 1.239 -0.421 1.00 0.00 N ATOM 0 H LYS A 49 9.721 0.460 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 49 9.736 3.401 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.975 1.349 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.575 2.909 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.880 2.943 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.945 4.029 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.194 2.863 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.687 1.968 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.301 0.267 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.791 0.451 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.068 0.465 -1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.747 2.132 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.304 1.320 0.430 1.00 0.00 H new ATOM 738 N ILE A 50 7.368 3.382 -0.756 1.00 0.00 N ATOM 739 CA ILE A 50 6.089 3.593 -1.423 1.00 0.00 C ATOM 740 C ILE A 50 6.181 4.721 -2.445 1.00 0.00 C ATOM 741 O ILE A 50 6.645 5.818 -2.132 1.00 0.00 O ATOM 742 CB ILE A 50 4.975 3.921 -0.412 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.857 2.807 0.630 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.649 4.122 -1.131 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.930 3.146 1.777 1.00 0.00 C ATOM 0 H ILE A 50 7.451 3.839 0.152 1.00 0.00 H new ATOM 0 HA ILE A 50 5.842 2.662 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 50 5.233 4.848 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.500 1.900 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.848 2.586 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.872 4.353 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.740 4.946 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.384 3.211 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.896 2.310 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.297 4.034 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.929 3.338 1.391 1.00 0.00 H new ATOM 757 N GLN A 51 5.735 4.445 -3.666 1.00 0.00 N ATOM 758 CA GLN A 51 5.766 5.437 -4.733 1.00 0.00 C ATOM 759 C GLN A 51 4.375 5.648 -5.320 1.00 0.00 C ATOM 760 O GLN A 51 3.826 4.762 -5.976 1.00 0.00 O ATOM 761 CB GLN A 51 6.737 5.004 -5.833 1.00 0.00 C ATOM 762 CG GLN A 51 7.378 6.167 -6.573 1.00 0.00 C ATOM 763 CD GLN A 51 8.365 5.714 -7.630 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.048 5.685 -8.819 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.570 5.357 -7.201 1.00 0.00 N ATOM 0 H GLN A 51 5.348 3.542 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 51 6.108 6.381 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.521 4.389 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.205 4.378 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.599 6.767 -7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.889 6.811 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.789 5.397 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.276 5.043 -7.867 1.00 0.00 H new ATOM 774 N ILE A 52 3.810 6.827 -5.082 1.00 0.00 N ATOM 775 CA ILE A 52 2.483 7.155 -5.589 1.00 0.00 C ATOM 776 C ILE A 52 2.570 8.009 -6.848 1.00 0.00 C ATOM 777 O ILE A 52 3.265 9.026 -6.891 1.00 0.00 O ATOM 778 CB ILE A 52 1.646 7.901 -4.532 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.408 7.007 -3.314 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.323 8.355 -5.130 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.908 7.760 -2.101 1.00 0.00 C ATOM 0 H ILE A 52 4.251 7.571 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 52 1.994 6.211 -5.828 1.00 0.00 H new ATOM 0 HB ILE A 52 2.198 8.783 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.685 6.235 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.338 6.499 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.258 8.880 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.514 9.024 -5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.236 7.486 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.761 7.064 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.641 8.514 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.038 8.246 -2.339 1.00 0.00 H new ATOM 793 N PRO A 53 1.850 7.591 -7.899 1.00 0.00 N ATOM 794 CA PRO A 53 1.828 8.304 -9.178 1.00 0.00 C ATOM 795 C PRO A 53 1.097 9.640 -9.086 1.00 0.00 C ATOM 796 O PRO A 53 0.116 9.771 -8.353 1.00 0.00 O ATOM 797 CB PRO A 53 1.075 7.347 -10.107 1.00 0.00 C ATOM 798 CG PRO A 53 0.223 6.530 -9.197 1.00 0.00 C ATOM 799 CD PRO A 53 1.001 6.388 -7.917 1.00 0.00 C ATOM 0 HA PRO A 53 2.832 8.552 -9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.471 7.892 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.764 6.720 -10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.736 7.017 -9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.009 5.555 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.343 6.348 -7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.597 5.475 -7.908 1.00 0.00 H new ATOM 807 N ARG A 54 1.581 10.627 -9.832 1.00 0.00 N ATOM 808 CA ARG A 54 0.974 11.953 -9.832 1.00 0.00 C ATOM 809 C ARG A 54 -0.523 11.865 -10.118 1.00 0.00 C ATOM 810 O ARG A 54 -1.020 10.875 -10.654 1.00 0.00 O ATOM 811 CB ARG A 54 1.652 12.847 -10.871 1.00 0.00 C ATOM 812 CG ARG A 54 2.870 13.584 -10.340 1.00 0.00 C ATOM 813 CD ARG A 54 3.625 14.288 -11.456 1.00 0.00 C ATOM 814 NE ARG A 54 3.101 15.627 -11.712 1.00 0.00 N ATOM 815 CZ ARG A 54 3.742 16.543 -12.430 1.00 0.00 C ATOM 816 NH1 ARG A 54 4.924 16.264 -12.963 1.00 0.00 N ATOM 817 NH2 ARG A 54 3.201 17.739 -12.618 1.00 0.00 N ATOM 0 H ARG A 54 2.392 10.534 -10.444 1.00 0.00 H new ATOM 0 HA ARG A 54 1.112 12.389 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.951 12.237 -11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.929 13.575 -11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.558 14.314 -9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.533 12.879 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.681 14.356 -11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.562 13.694 -12.367 1.00 0.00 H new ATOM 0 HE ARG A 54 2.193 15.873 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.343 15.345 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.414 16.969 -13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.291 17.957 -12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.694 18.441 -13.169 1.00 0.00 H new ATOM 831 N PRO A 55 -1.258 12.926 -9.751 1.00 0.00 N ATOM 832 CA PRO A 55 -2.707 12.992 -9.958 1.00 0.00 C ATOM 833 C PRO A 55 -3.077 13.122 -11.432 1.00 0.00 C ATOM 834 O PRO A 55 -4.193 12.790 -11.833 1.00 0.00 O ATOM 835 CB PRO A 55 -3.118 14.252 -9.192 1.00 0.00 C ATOM 836 CG PRO A 55 -1.890 15.096 -9.167 1.00 0.00 C ATOM 837 CD PRO A 55 -0.731 14.140 -9.106 1.00 0.00 C ATOM 0 HA PRO A 55 -3.208 12.086 -9.617 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.942 14.766 -9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.453 14.011 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.831 15.725 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.892 15.762 -8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.140 14.530 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.422 13.948 -8.079 1.00 0.00 H new ATOM 845 N ASP A 56 -2.135 13.604 -12.233 1.00 0.00 N ATOM 846 CA ASP A 56 -2.361 13.777 -13.664 1.00 0.00 C ATOM 847 C ASP A 56 -1.957 12.522 -14.432 1.00 0.00 C ATOM 848 O ASP A 56 -2.528 12.211 -15.477 1.00 0.00 O ATOM 849 CB ASP A 56 -1.578 14.983 -14.184 1.00 0.00 C ATOM 850 CG ASP A 56 -0.129 14.968 -13.740 1.00 0.00 C ATOM 851 OD1 ASP A 56 0.497 13.890 -13.797 1.00 0.00 O ATOM 852 OD2 ASP A 56 0.378 16.036 -13.336 1.00 0.00 O ATOM 0 H ASP A 56 -1.206 13.883 -11.916 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.426 13.951 -13.821 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.621 14.998 -15.273 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.053 15.899 -13.833 1.00 0.00 H new ATOM 857 N ASP A 57 -0.968 11.807 -13.908 1.00 0.00 N ATOM 858 CA ASP A 57 -0.487 10.586 -14.545 1.00 0.00 C ATOM 859 C ASP A 57 -1.590 9.534 -14.605 1.00 0.00 C ATOM 860 O ASP A 57 -2.381 9.374 -13.675 1.00 0.00 O ATOM 861 CB ASP A 57 0.722 10.033 -13.788 1.00 0.00 C ATOM 862 CG ASP A 57 1.680 9.286 -14.694 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.400 9.948 -15.470 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.711 8.039 -14.627 1.00 0.00 O ATOM 0 H ASP A 57 -0.484 12.051 -13.044 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.187 10.831 -15.564 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.250 10.854 -13.304 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.378 9.365 -12.998 1.00 0.00 H new ATOM 869 N PRO A 58 -1.645 8.798 -15.726 1.00 0.00 N ATOM 870 CA PRO A 58 -2.647 7.748 -15.934 1.00 0.00 C ATOM 871 C PRO A 58 -2.416 6.539 -15.034 1.00 0.00 C ATOM 872 O PRO A 58 -3.135 5.544 -15.120 1.00 0.00 O ATOM 873 CB PRO A 58 -2.458 7.365 -17.405 1.00 0.00 C ATOM 874 CG PRO A 58 -1.045 7.724 -17.710 1.00 0.00 C ATOM 875 CD PRO A 58 -0.733 8.934 -16.874 1.00 0.00 C ATOM 0 HA PRO A 58 -3.653 8.091 -15.694 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.640 6.302 -17.564 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.152 7.907 -18.048 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.373 6.900 -17.470 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.918 7.940 -18.771 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.310 8.947 -16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.912 9.859 -17.422 1.00 0.00 H new ATOM 883 N SER A 59 -1.409 6.633 -14.172 1.00 0.00 N ATOM 884 CA SER A 59 -1.082 5.544 -13.258 1.00 0.00 C ATOM 885 C SER A 59 -1.817 5.709 -11.932 1.00 0.00 C ATOM 886 O SER A 59 -1.799 6.781 -11.328 1.00 0.00 O ATOM 887 CB SER A 59 0.428 5.492 -13.014 1.00 0.00 C ATOM 888 OG SER A 59 1.083 4.757 -14.033 1.00 0.00 O ATOM 0 H SER A 59 -0.806 7.451 -14.087 1.00 0.00 H new ATOM 0 HA SER A 59 -1.402 4.608 -13.717 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.829 6.505 -12.977 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.628 5.034 -12.045 1.00 0.00 H new ATOM 0 HG SER A 59 2.047 4.740 -13.856 1.00 0.00 H new ATOM 894 N ASN A 60 -2.464 4.638 -11.484 1.00 0.00 N ATOM 895 CA ASN A 60 -3.207 4.662 -10.229 1.00 0.00 C ATOM 896 C ASN A 60 -2.785 3.509 -9.324 1.00 0.00 C ATOM 897 O ASN A 60 -3.347 3.314 -8.248 1.00 0.00 O ATOM 898 CB ASN A 60 -4.711 4.589 -10.501 1.00 0.00 C ATOM 899 CG ASN A 60 -5.121 3.269 -11.127 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.585 2.867 -12.160 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.075 2.590 -10.502 1.00 0.00 N ATOM 0 H ASN A 60 -2.489 3.742 -11.971 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.982 5.599 -9.721 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.254 4.729 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.998 5.407 -11.162 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.393 1.696 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.490 2.963 -9.648 1.00 0.00 H new ATOM 908 N GLN A 61 -1.791 2.747 -9.771 1.00 0.00 N ATOM 909 CA GLN A 61 -1.294 1.613 -9.001 1.00 0.00 C ATOM 910 C GLN A 61 -0.067 2.004 -8.184 1.00 0.00 C ATOM 911 O GLN A 61 0.933 2.467 -8.732 1.00 0.00 O ATOM 912 CB GLN A 61 -0.950 0.448 -9.933 1.00 0.00 C ATOM 913 CG GLN A 61 0.170 0.762 -10.911 1.00 0.00 C ATOM 914 CD GLN A 61 0.037 0.000 -12.214 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.047 0.589 -13.296 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.087 -1.319 -12.119 1.00 0.00 N ATOM 0 H GLN A 61 -1.315 2.894 -10.661 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.081 1.301 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.665 -0.415 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.842 0.166 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.176 1.832 -11.119 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.128 0.521 -10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.090 -1.766 -11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.179 -1.885 -12.963 1.00 0.00 H new ATOM 925 N ILE A 62 -0.152 1.817 -6.872 1.00 0.00 N ATOM 926 CA ILE A 62 0.952 2.150 -5.980 1.00 0.00 C ATOM 927 C ILE A 62 2.036 1.079 -6.022 1.00 0.00 C ATOM 928 O ILE A 62 1.752 -0.100 -6.229 1.00 0.00 O ATOM 929 CB ILE A 62 0.470 2.319 -4.527 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.271 3.647 -4.363 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.647 2.242 -3.566 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.032 3.758 -3.060 1.00 0.00 C ATOM 0 H ILE A 62 -0.974 1.437 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 62 1.366 3.096 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.220 1.508 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.447 4.465 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.967 3.770 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.290 2.363 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.137 1.273 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.359 3.034 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.533 4.725 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.774 2.962 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.338 3.667 -2.224 1.00 0.00 H new ATOM 944 N LYS A 63 3.282 1.498 -5.825 1.00 0.00 N ATOM 945 CA LYS A 63 4.411 0.575 -5.838 1.00 0.00 C ATOM 946 C LYS A 63 5.018 0.439 -4.446 1.00 0.00 C ATOM 947 O LYS A 63 5.238 1.435 -3.754 1.00 0.00 O ATOM 948 CB LYS A 63 5.476 1.055 -6.827 1.00 0.00 C ATOM 949 CG LYS A 63 6.643 0.095 -6.975 1.00 0.00 C ATOM 950 CD LYS A 63 7.917 0.822 -7.373 1.00 0.00 C ATOM 951 CE LYS A 63 9.015 -0.152 -7.771 1.00 0.00 C ATOM 952 NZ LYS A 63 8.872 -0.602 -9.183 1.00 0.00 N ATOM 0 H LYS A 63 3.535 2.471 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 63 4.046 -0.403 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.013 1.205 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.853 2.024 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.803 -0.432 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.403 -0.658 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.708 1.495 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.260 1.438 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.987 0.323 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.990 -1.018 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.639 -1.265 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.955 -1.077 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.922 0.221 -9.816 1.00 0.00 H new ATOM 966 N ILE A 64 5.289 -0.797 -4.042 1.00 0.00 N ATOM 967 CA ILE A 64 5.874 -1.061 -2.733 1.00 0.00 C ATOM 968 C ILE A 64 7.103 -1.955 -2.851 1.00 0.00 C ATOM 969 O ILE A 64 7.008 -3.110 -3.269 1.00 0.00 O ATOM 970 CB ILE A 64 4.858 -1.727 -1.786 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.832 -2.532 -2.588 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.163 -0.677 -0.932 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.923 -3.380 -1.726 1.00 0.00 C ATOM 0 H ILE A 64 5.113 -1.631 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 64 6.167 -0.097 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 64 5.393 -2.410 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.224 -1.846 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.358 -3.177 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.448 -1.163 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.904 -0.142 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.638 0.027 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.222 -3.923 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.521 -4.091 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.370 -2.739 -1.040 1.00 0.00 H new ATOM 985 N THR A 65 8.259 -1.416 -2.477 1.00 0.00 N ATOM 986 CA THR A 65 9.508 -2.164 -2.540 1.00 0.00 C ATOM 987 C THR A 65 10.114 -2.339 -1.152 1.00 0.00 C ATOM 988 O THR A 65 10.037 -1.444 -0.312 1.00 0.00 O ATOM 989 CB THR A 65 10.535 -1.467 -3.452 1.00 0.00 C ATOM 990 OG1 THR A 65 9.893 -0.997 -4.642 1.00 0.00 O ATOM 991 CG2 THR A 65 11.663 -2.419 -3.822 1.00 0.00 C ATOM 0 H THR A 65 8.356 -0.463 -2.127 1.00 0.00 H new ATOM 0 HA THR A 65 9.270 -3.143 -2.956 1.00 0.00 H new ATOM 0 HB THR A 65 10.957 -0.622 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.552 -0.554 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.376 -1.905 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.168 -2.754 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.254 -3.281 -4.349 1.00 0.00 H new ATOM 999 N GLY A 66 10.721 -3.499 -0.917 1.00 0.00 N ATOM 1000 CA GLY A 66 11.332 -3.771 0.370 1.00 0.00 C ATOM 1001 C GLY A 66 11.400 -5.252 0.681 1.00 0.00 C ATOM 1002 O GLY A 66 11.455 -6.083 -0.227 1.00 0.00 O ATOM 0 H GLY A 66 10.800 -4.256 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.339 -3.354 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.765 -3.265 1.151 1.00 0.00 H new ATOM 1006 N THR A 67 11.397 -5.587 1.967 1.00 0.00 N ATOM 1007 CA THR A 67 11.461 -6.979 2.395 1.00 0.00 C ATOM 1008 C THR A 67 10.105 -7.661 2.254 1.00 0.00 C ATOM 1009 O THR A 67 9.063 -7.042 2.471 1.00 0.00 O ATOM 1010 CB THR A 67 11.933 -7.096 3.856 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.008 -6.433 4.724 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.319 -6.493 4.027 1.00 0.00 C ATOM 0 H THR A 67 11.351 -4.913 2.731 1.00 0.00 H new ATOM 0 HA THR A 67 12.183 -7.476 1.747 1.00 0.00 H new ATOM 0 HB THR A 67 11.980 -8.154 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.314 -6.513 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.631 -6.587 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.027 -7.020 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.294 -5.439 3.750 1.00 0.00 H new ATOM 1020 N LYS A 68 10.125 -8.938 1.890 1.00 0.00 N ATOM 1021 CA LYS A 68 8.897 -9.705 1.722 1.00 0.00 C ATOM 1022 C LYS A 68 7.924 -9.433 2.865 1.00 0.00 C ATOM 1023 O LYS A 68 6.716 -9.612 2.719 1.00 0.00 O ATOM 1024 CB LYS A 68 9.211 -11.201 1.653 1.00 0.00 C ATOM 1025 CG LYS A 68 8.061 -12.042 1.127 1.00 0.00 C ATOM 1026 CD LYS A 68 8.084 -12.132 -0.390 1.00 0.00 C ATOM 1027 CE LYS A 68 9.167 -13.084 -0.875 1.00 0.00 C ATOM 1028 NZ LYS A 68 8.683 -14.492 -0.930 1.00 0.00 N ATOM 0 H LYS A 68 10.979 -9.464 1.705 1.00 0.00 H new ATOM 0 HA LYS A 68 8.430 -9.394 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.081 -11.352 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.481 -11.553 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.117 -13.044 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.115 -11.610 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.113 -12.470 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.253 -11.141 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.504 -12.777 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.029 -13.022 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.450 -15.110 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.385 -14.794 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.876 -14.556 -1.583 1.00 0.00 H new ATOM 1042 N GLU A 69 8.460 -8.996 4.001 1.00 0.00 N ATOM 1043 CA GLU A 69 7.637 -8.699 5.168 1.00 0.00 C ATOM 1044 C GLU A 69 7.181 -7.242 5.154 1.00 0.00 C ATOM 1045 O GLU A 69 6.013 -6.943 5.397 1.00 0.00 O ATOM 1046 CB GLU A 69 8.413 -8.989 6.453 1.00 0.00 C ATOM 1047 CG GLU A 69 8.738 -10.460 6.649 1.00 0.00 C ATOM 1048 CD GLU A 69 7.513 -11.288 6.984 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.578 -10.740 7.604 1.00 0.00 O ATOM 1050 OE2 GLU A 69 7.489 -12.485 6.626 1.00 0.00 O ATOM 0 H GLU A 69 9.459 -8.840 4.138 1.00 0.00 H new ATOM 0 HA GLU A 69 6.755 -9.339 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.342 -8.419 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.832 -8.637 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.199 -10.850 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.471 -10.563 7.449 1.00 0.00 H new ATOM 1057 N GLY A 70 8.114 -6.338 4.868 1.00 0.00 N ATOM 1058 CA GLY A 70 7.789 -4.924 4.828 1.00 0.00 C ATOM 1059 C GLY A 70 6.731 -4.601 3.792 1.00 0.00 C ATOM 1060 O GLY A 70 5.727 -3.958 4.100 1.00 0.00 O ATOM 0 H GLY A 70 9.088 -6.560 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.440 -4.607 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.692 -4.353 4.611 1.00 0.00 H new ATOM 1064 N ILE A 71 6.955 -5.047 2.560 1.00 0.00 N ATOM 1065 CA ILE A 71 6.013 -4.801 1.476 1.00 0.00 C ATOM 1066 C ILE A 71 4.623 -5.325 1.826 1.00 0.00 C ATOM 1067 O ILE A 71 3.628 -4.618 1.675 1.00 0.00 O ATOM 1068 CB ILE A 71 6.481 -5.456 0.163 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.852 -4.912 -0.242 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.462 -5.216 -0.942 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.462 -5.632 -1.425 1.00 0.00 C ATOM 0 H ILE A 71 7.781 -5.581 2.288 1.00 0.00 H new ATOM 0 HA ILE A 71 5.967 -3.721 1.337 1.00 0.00 H new ATOM 0 HB ILE A 71 6.569 -6.531 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.758 -3.853 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.530 -4.988 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.807 -5.685 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.503 -5.647 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.345 -4.144 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.433 -5.194 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.589 -6.687 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.805 -5.534 -2.289 1.00 0.00 H new ATOM 1083 N GLU A 72 4.566 -6.568 2.294 1.00 0.00 N ATOM 1084 CA GLU A 72 3.299 -7.186 2.665 1.00 0.00 C ATOM 1085 C GLU A 72 2.510 -6.285 3.611 1.00 0.00 C ATOM 1086 O GLU A 72 1.340 -5.987 3.372 1.00 0.00 O ATOM 1087 CB GLU A 72 3.543 -8.546 3.323 1.00 0.00 C ATOM 1088 CG GLU A 72 3.833 -9.659 2.331 1.00 0.00 C ATOM 1089 CD GLU A 72 2.646 -9.973 1.442 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.504 -9.950 1.947 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.860 -10.241 0.242 1.00 0.00 O ATOM 0 H GLU A 72 5.382 -7.166 2.425 1.00 0.00 H new ATOM 0 HA GLU A 72 2.714 -7.330 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.381 -8.460 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.668 -8.816 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.682 -9.374 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.123 -10.558 2.874 1.00 0.00 H new ATOM 1098 N LYS A 73 3.161 -5.852 4.685 1.00 0.00 N ATOM 1099 CA LYS A 73 2.523 -4.984 5.668 1.00 0.00 C ATOM 1100 C LYS A 73 1.805 -3.824 4.985 1.00 0.00 C ATOM 1101 O LYS A 73 0.598 -3.647 5.150 1.00 0.00 O ATOM 1102 CB LYS A 73 3.563 -4.445 6.654 1.00 0.00 C ATOM 1103 CG LYS A 73 3.875 -5.400 7.792 1.00 0.00 C ATOM 1104 CD LYS A 73 5.095 -4.951 8.579 1.00 0.00 C ATOM 1105 CE LYS A 73 4.765 -3.791 9.505 1.00 0.00 C ATOM 1106 NZ LYS A 73 3.988 -4.236 10.696 1.00 0.00 N ATOM 0 H LYS A 73 4.130 -6.088 4.897 1.00 0.00 H new ATOM 0 HA LYS A 73 1.786 -5.574 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.483 -4.224 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.204 -3.503 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.015 -5.466 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.046 -6.400 7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.480 -5.787 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.885 -4.654 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.688 -3.313 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.194 -3.041 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.943 -3.463 11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.024 -4.496 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.454 -5.060 11.126 1.00 0.00 H new ATOM 1120 N ALA A 74 2.554 -3.039 4.218 1.00 0.00 N ATOM 1121 CA ALA A 74 1.988 -1.899 3.507 1.00 0.00 C ATOM 1122 C ALA A 74 0.930 -2.348 2.504 1.00 0.00 C ATOM 1123 O ALA A 74 -0.055 -1.648 2.273 1.00 0.00 O ATOM 1124 CB ALA A 74 3.087 -1.117 2.805 1.00 0.00 C ATOM 0 H ALA A 74 3.555 -3.172 4.073 1.00 0.00 H new ATOM 0 HA ALA A 74 1.505 -1.249 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.650 -0.269 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.804 -0.756 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.595 -1.765 2.091 1.00 0.00 H new ATOM 1130 N ARG A 75 1.143 -3.518 1.911 1.00 0.00 N ATOM 1131 CA ARG A 75 0.209 -4.059 0.931 1.00 0.00 C ATOM 1132 C ARG A 75 -1.114 -4.433 1.591 1.00 0.00 C ATOM 1133 O ARG A 75 -2.179 -4.317 0.982 1.00 0.00 O ATOM 1134 CB ARG A 75 0.812 -5.284 0.243 1.00 0.00 C ATOM 1135 CG ARG A 75 0.332 -5.478 -1.186 1.00 0.00 C ATOM 1136 CD ARG A 75 0.924 -6.733 -1.808 1.00 0.00 C ATOM 1137 NE ARG A 75 0.219 -7.940 -1.385 1.00 0.00 N ATOM 1138 CZ ARG A 75 0.678 -9.169 -1.590 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.836 -9.353 -2.209 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.021 -10.217 -1.174 1.00 0.00 N ATOM 0 H ARG A 75 1.954 -4.109 2.092 1.00 0.00 H new ATOM 0 HA ARG A 75 0.018 -3.289 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.898 -5.192 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.567 -6.173 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.756 -5.542 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.607 -4.610 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.884 -6.652 -2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.976 -6.812 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.675 -7.833 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.377 -8.549 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.186 -10.298 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.912 -10.079 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.332 -11.161 -1.332 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.042 -4.883 2.839 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.235 -5.273 3.582 1.00 0.00 C ATOM 1156 C HIS A 76 -3.001 -4.046 4.066 1.00 0.00 C ATOM 1157 O HIS A 76 -4.231 -4.040 4.089 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.854 -6.154 4.772 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.029 -6.808 5.434 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.961 -7.554 4.744 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.418 -6.826 6.731 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.874 -8.001 5.588 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.568 -7.574 6.799 1.00 0.00 N ATOM 0 H HIS A 76 -0.170 -4.987 3.358 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.881 -5.840 2.912 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.161 -6.925 4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.324 -5.548 5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.918 -6.343 7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.726 -8.612 5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.099 -7.768 7.648 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.263 -3.009 4.452 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.875 -1.777 4.937 1.00 0.00 C ATOM 1173 C GLU A 77 -3.507 -0.995 3.789 1.00 0.00 C ATOM 1174 O GLU A 77 -4.663 -0.578 3.870 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.832 -0.910 5.646 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.289 -1.531 6.921 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.253 -1.413 8.085 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.410 -1.863 7.947 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -1.851 -0.868 9.135 1.00 0.00 O ATOM 0 H GLU A 77 -1.243 -2.998 4.438 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.659 -2.044 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.004 -0.721 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.276 0.057 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.068 -2.583 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.348 -1.048 7.183 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.741 -0.799 2.720 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.225 -0.068 1.556 1.00 0.00 C ATOM 1188 C VAL A 78 -4.487 -0.709 0.991 1.00 0.00 C ATOM 1189 O VAL A 78 -5.375 -0.020 0.487 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.156 -0.004 0.449 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.027 -1.349 -0.248 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.490 1.094 -0.550 1.00 0.00 C ATOM 0 H VAL A 78 -1.782 -1.137 2.637 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.453 0.944 1.890 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.196 0.233 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.267 -1.284 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.738 -2.109 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.983 -1.620 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.725 1.126 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.459 0.889 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.526 2.055 -0.036 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.562 -2.033 1.078 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.718 -2.769 0.576 1.00 0.00 C ATOM 1204 C LEU A 79 -6.917 -2.597 1.501 1.00 0.00 C ATOM 1205 O LEU A 79 -8.029 -2.318 1.049 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.378 -4.254 0.434 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.612 -4.649 -0.829 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.728 -5.856 -0.561 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.575 -4.934 -1.971 1.00 0.00 C ATOM 0 H LEU A 79 -3.836 -2.619 1.491 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.978 -2.366 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.790 -4.556 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.307 -4.823 0.465 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.974 -3.814 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.191 -6.123 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.013 -5.616 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.346 -6.697 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.011 -5.213 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.240 -5.751 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.165 -4.042 -2.180 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.686 -2.761 2.799 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.747 -2.622 3.789 1.00 0.00 C ATOM 1223 C LEU A 80 -8.418 -1.255 3.680 1.00 0.00 C ATOM 1224 O LEU A 80 -9.645 -1.157 3.640 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.186 -2.815 5.199 1.00 0.00 C ATOM 1226 CG LEU A 80 -7.190 -4.248 5.733 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.639 -4.292 7.150 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.595 -4.829 5.688 1.00 0.00 C ATOM 0 H LEU A 80 -5.772 -2.991 3.190 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.494 -3.391 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.161 -2.446 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.759 -2.191 5.885 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.546 -4.854 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.650 -5.320 7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.616 -3.916 7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.256 -3.671 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.579 -5.849 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.260 -4.221 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.954 -4.834 4.659 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.605 -0.206 3.630 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.120 1.153 3.522 1.00 0.00 C ATOM 1242 C ILE A 81 -8.980 1.318 2.273 1.00 0.00 C ATOM 1243 O ILE A 81 -10.146 1.702 2.355 1.00 0.00 O ATOM 1244 CB ILE A 81 -6.979 2.186 3.486 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.068 2.014 4.703 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.544 3.598 3.436 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.643 2.463 4.459 1.00 0.00 C ATOM 0 H ILE A 81 -6.588 -0.271 3.663 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.731 1.330 4.407 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.387 2.020 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.481 2.579 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.064 0.965 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.725 4.317 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.156 3.714 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.156 3.776 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.054 2.312 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.212 1.880 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.635 3.520 4.193 1.00 0.00 H new ATOM 1259 N SER A 82 -8.395 1.023 1.117 1.00 0.00 N ATOM 1260 CA SER A 82 -9.107 1.139 -0.152 1.00 0.00 C ATOM 1261 C SER A 82 -10.396 0.324 -0.128 1.00 0.00 C ATOM 1262 O SER A 82 -11.460 0.814 -0.502 1.00 0.00 O ATOM 1263 CB SER A 82 -8.215 0.675 -1.305 1.00 0.00 C ATOM 1264 OG SER A 82 -7.746 -0.645 -1.087 1.00 0.00 O ATOM 0 H SER A 82 -7.431 0.702 1.032 1.00 0.00 H new ATOM 0 HA SER A 82 -9.365 2.187 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.773 0.716 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.368 1.353 -1.409 1.00 0.00 H new ATOM 0 HG SER A 82 -6.960 -0.621 -0.502 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.289 -0.925 0.313 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.446 -1.810 0.388 1.00 0.00 C ATOM 1272 C ALA A 83 -12.622 -1.119 1.069 1.00 0.00 C ATOM 1273 O ALA A 83 -13.731 -1.091 0.534 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.084 -3.090 1.126 1.00 0.00 C ATOM 0 H ALA A 83 -9.414 -1.347 0.624 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.746 -2.062 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.957 -3.741 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.280 -3.600 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.756 -2.847 2.137 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.374 -0.563 2.250 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.415 0.127 3.003 1.00 0.00 C ATOM 1282 C GLU A 84 -14.005 1.276 2.191 1.00 0.00 C ATOM 1283 O GLU A 84 -15.212 1.515 2.220 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.853 0.658 4.324 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.842 -0.374 5.439 1.00 0.00 C ATOM 1286 CD GLU A 84 -14.120 -0.365 6.254 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.786 0.692 6.303 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.457 -1.412 6.844 1.00 0.00 O ATOM 0 H GLU A 84 -11.462 -0.577 2.706 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.209 -0.590 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.836 1.014 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.444 1.517 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.696 -1.365 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.994 -0.183 6.097 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.144 1.982 1.465 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.580 3.107 0.644 1.00 0.00 C ATOM 1297 C GLN A 85 -14.604 2.659 -0.392 1.00 0.00 C ATOM 1298 O GLN A 85 -15.465 3.438 -0.806 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.380 3.752 -0.052 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.385 4.382 0.909 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.037 5.366 1.861 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.019 6.023 1.517 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.492 5.472 3.067 1.00 0.00 N ATOM 0 H GLN A 85 -12.142 1.796 1.428 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.050 3.842 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.868 2.997 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.738 4.515 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.894 3.597 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.609 4.893 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.678 4.908 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.888 6.118 3.750 1.00 0.00 H new