USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 632 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 37 GLN : amide:sc= -1.21 K(o=-0.77,f=-3.7!) USER MOD Set 1.2: A 49 GLN :FLIP amide:sc= -0.851! F(o=-3.4,f=-0.77!) USER MOD Set 1.3: A 53 SER OG : rot 141:sc= 1.29 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.12 X(o=0.6,f=0.83) USER MOD Set 2.2: A 77 GLN : amide:sc= 0.722 K(o=0.6,f=-8.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 34:sc= -2.82! USER MOD Single : A 24 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -113:sc= -0.35 (180deg=-1.24) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 66 SER OG : rot 180:sc= -0.037 USER MOD Single : A 67 GLN : amide:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.7) USER MOD Single : A 76 MET CE :methyl 180:sc= -3.58 (180deg=-3.58) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 ASN : amide:sc= -0.0292 K(o=-0.029,f=-1.3!) USER MOD Single : A 91 TYR OH : rot 168:sc= -2 USER MOD Single : A 92 GLN : amide:sc= -1.72 K(o=-1.7,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -7.822 1.881 -7.664 1.00 0.00 N ATOM 213 CA VAL A 18 -7.627 1.384 -6.313 1.00 0.00 C ATOM 214 C VAL A 18 -8.455 0.113 -6.117 1.00 0.00 C ATOM 215 O VAL A 18 -9.608 0.048 -6.540 1.00 0.00 O ATOM 216 CB VAL A 18 -7.963 2.479 -5.299 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.945 1.929 -3.871 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.011 3.669 -5.440 1.00 0.00 C ATOM 0 HA VAL A 18 -6.582 1.119 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.973 2.831 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.187 2.728 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.681 1.131 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.954 1.536 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.272 4.433 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.987 3.338 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.095 4.085 -6.444 1.00 0.00 H new ATOM 228 N SER A 19 -7.835 -0.866 -5.476 1.00 0.00 N ATOM 229 CA SER A 19 -8.501 -2.132 -5.218 1.00 0.00 C ATOM 230 C SER A 19 -9.154 -2.108 -3.835 1.00 0.00 C ATOM 231 O SER A 19 -8.683 -1.415 -2.934 1.00 0.00 O ATOM 232 CB SER A 19 -7.520 -3.301 -5.322 1.00 0.00 C ATOM 233 OG SER A 19 -7.869 -4.200 -6.372 1.00 0.00 O ATOM 0 H SER A 19 -6.878 -0.809 -5.127 1.00 0.00 H new ATOM 0 HA SER A 19 -9.273 -2.273 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.515 -2.916 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.498 -3.841 -4.375 1.00 0.00 H new ATOM 0 HG SER A 19 -7.218 -4.931 -6.407 1.00 0.00 H new ATOM 239 N PRO A 20 -10.256 -2.894 -3.706 1.00 0.00 N ATOM 240 CA PRO A 20 -10.979 -2.969 -2.448 1.00 0.00 C ATOM 241 C PRO A 20 -10.215 -3.815 -1.427 1.00 0.00 C ATOM 242 O PRO A 20 -10.461 -3.717 -0.226 1.00 0.00 O ATOM 243 CB PRO A 20 -12.335 -3.554 -2.807 1.00 0.00 C ATOM 244 CG PRO A 20 -12.158 -4.214 -4.165 1.00 0.00 C ATOM 245 CD PRO A 20 -10.842 -3.728 -4.751 1.00 0.00 C ATOM 0 HA PRO A 20 -11.094 -1.996 -1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.658 -4.279 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.098 -2.776 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.153 -5.299 -4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.987 -3.959 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.189 -4.563 -5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.002 -3.160 -5.667 1.00 0.00 H new ATOM 253 N ASP A 21 -9.302 -4.625 -1.942 1.00 0.00 N ATOM 254 CA ASP A 21 -8.501 -5.487 -1.090 1.00 0.00 C ATOM 255 C ASP A 21 -7.154 -4.816 -0.815 1.00 0.00 C ATOM 256 O ASP A 21 -6.221 -5.459 -0.336 1.00 0.00 O ATOM 257 CB ASP A 21 -8.229 -6.832 -1.767 1.00 0.00 C ATOM 258 CG ASP A 21 -9.471 -7.557 -2.289 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.406 -7.734 -1.479 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.458 -7.917 -3.486 1.00 0.00 O ATOM 0 H ASP A 21 -9.099 -4.703 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.053 -5.654 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.544 -6.671 -2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.719 -7.483 -1.057 1.00 0.00 H new ATOM 265 N ILE A 22 -7.095 -3.530 -1.130 1.00 0.00 N ATOM 266 CA ILE A 22 -5.878 -2.764 -0.923 1.00 0.00 C ATOM 267 C ILE A 22 -5.276 -3.129 0.436 1.00 0.00 C ATOM 268 O ILE A 22 -4.057 -3.121 0.601 1.00 0.00 O ATOM 269 CB ILE A 22 -6.151 -1.268 -1.093 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.926 -0.439 -0.699 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.401 -0.847 -0.319 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.957 -0.299 -1.874 1.00 0.00 C ATOM 0 H ILE A 22 -7.871 -3.000 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.135 -3.017 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.346 -1.074 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.243 0.549 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.418 -0.912 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.572 0.221 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.262 -1.403 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.261 -1.058 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.096 0.294 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.623 -1.287 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.461 0.196 -2.704 1.00 0.00 H new ATOM 284 N TYR A 23 -6.158 -3.439 1.374 1.00 0.00 N ATOM 285 CA TYR A 23 -5.729 -3.805 2.713 1.00 0.00 C ATOM 286 C TYR A 23 -4.949 -5.121 2.698 1.00 0.00 C ATOM 287 O TYR A 23 -3.786 -5.162 3.097 1.00 0.00 O ATOM 288 CB TYR A 23 -7.010 -3.996 3.529 1.00 0.00 C ATOM 289 CG TYR A 23 -8.046 -2.889 3.327 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.849 -1.647 3.896 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.179 -3.132 2.577 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.824 -0.605 3.706 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.154 -2.090 2.387 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.929 -0.878 2.961 1.00 0.00 C ATOM 295 OH TYR A 23 -10.850 0.106 2.782 1.00 0.00 O ATOM 0 H TYR A 23 -7.168 -3.444 1.233 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.077 -3.037 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.459 -4.953 3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.751 -4.049 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.963 -1.457 4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.334 -4.104 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.681 0.371 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.044 -2.267 1.802 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.398 0.974 2.743 1.00 0.00 H new ATOM 305 N GLN A 24 -5.619 -6.165 2.232 1.00 0.00 N ATOM 306 CA GLN A 24 -5.003 -7.479 2.159 1.00 0.00 C ATOM 307 C GLN A 24 -3.726 -7.420 1.317 1.00 0.00 C ATOM 308 O GLN A 24 -2.751 -8.108 1.614 1.00 0.00 O ATOM 309 CB GLN A 24 -5.981 -8.513 1.600 1.00 0.00 C ATOM 310 CG GLN A 24 -5.338 -9.900 1.540 1.00 0.00 C ATOM 311 CD GLN A 24 -5.941 -10.829 2.596 1.00 0.00 C ATOM 312 OE1 GLN A 24 -7.106 -11.186 2.554 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.083 -11.200 3.543 1.00 0.00 N ATOM 0 H GLN A 24 -6.583 -6.127 1.901 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.735 -7.790 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.874 -8.549 2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.302 -8.213 0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.482 -10.329 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.263 -9.814 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.120 -10.864 3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.388 -11.820 4.293 1.00 0.00 H new ATOM 322 N GLN A 25 -3.774 -6.592 0.284 1.00 0.00 N ATOM 323 CA GLN A 25 -2.634 -6.434 -0.602 1.00 0.00 C ATOM 324 C GLN A 25 -1.408 -5.971 0.187 1.00 0.00 C ATOM 325 O GLN A 25 -0.342 -6.579 0.098 1.00 0.00 O ATOM 326 CB GLN A 25 -2.953 -5.462 -1.739 1.00 0.00 C ATOM 327 CG GLN A 25 -3.858 -6.118 -2.784 1.00 0.00 C ATOM 328 CD GLN A 25 -3.406 -5.762 -4.202 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.866 -6.577 -4.932 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.655 -4.502 -4.549 1.00 0.00 N ATOM 0 H GLN A 25 -4.585 -6.023 0.041 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.410 -7.403 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.440 -4.574 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.027 -5.132 -2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.844 -7.200 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.888 -5.793 -2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.111 -3.872 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.390 -4.166 -5.475 1.00 0.00 H new ATOM 339 N VAL A 26 -1.600 -4.900 0.942 1.00 0.00 N ATOM 340 CA VAL A 26 -0.523 -4.348 1.747 1.00 0.00 C ATOM 341 C VAL A 26 0.100 -5.463 2.590 1.00 0.00 C ATOM 342 O VAL A 26 1.275 -5.787 2.426 1.00 0.00 O ATOM 343 CB VAL A 26 -1.043 -3.182 2.589 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.025 -2.694 3.570 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.533 -2.038 1.698 1.00 0.00 C ATOM 0 H VAL A 26 -2.486 -4.399 1.014 1.00 0.00 H new ATOM 0 HA VAL A 26 0.263 -3.945 1.108 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.892 -3.541 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.371 -1.865 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.305 -3.509 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.903 -2.360 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.897 -1.222 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.710 -1.682 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.341 -2.395 1.059 1.00 0.00 H new ATOM 355 N ARG A 27 -0.715 -6.018 3.475 1.00 0.00 N ATOM 356 CA ARG A 27 -0.259 -7.089 4.344 1.00 0.00 C ATOM 357 C ARG A 27 0.642 -8.054 3.570 1.00 0.00 C ATOM 358 O ARG A 27 1.740 -8.380 4.019 1.00 0.00 O ATOM 359 CB ARG A 27 -1.440 -7.865 4.929 1.00 0.00 C ATOM 360 CG ARG A 27 -2.285 -6.972 5.841 1.00 0.00 C ATOM 361 CD ARG A 27 -3.737 -7.452 5.886 1.00 0.00 C ATOM 362 NE ARG A 27 -4.033 -8.043 7.210 1.00 0.00 N ATOM 363 CZ ARG A 27 -4.001 -7.360 8.362 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.684 -6.058 8.360 1.00 0.00 N ATOM 365 NH2 ARG A 27 -4.284 -7.979 9.516 1.00 0.00 N ATOM 0 H ARG A 27 -1.689 -5.746 3.609 1.00 0.00 H new ATOM 0 HA ARG A 27 0.304 -6.636 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.059 -8.256 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.073 -8.723 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.866 -6.974 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.249 -5.943 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.411 -6.617 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.909 -8.190 5.102 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.277 -9.033 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.467 -5.587 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.660 -5.538 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.524 -8.970 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.260 -7.459 10.393 1.00 0.00 H new ATOM 379 N ASP A 28 0.145 -8.483 2.419 1.00 0.00 N ATOM 380 CA ASP A 28 0.891 -9.404 1.578 1.00 0.00 C ATOM 381 C ASP A 28 2.185 -8.730 1.116 1.00 0.00 C ATOM 382 O ASP A 28 3.249 -9.347 1.129 1.00 0.00 O ATOM 383 CB ASP A 28 0.088 -9.788 0.334 1.00 0.00 C ATOM 384 CG ASP A 28 0.202 -11.256 -0.081 1.00 0.00 C ATOM 385 OD1 ASP A 28 -0.563 -12.067 0.486 1.00 0.00 O ATOM 386 OD2 ASP A 28 1.051 -11.535 -0.955 1.00 0.00 O ATOM 0 H ASP A 28 -0.765 -8.210 2.049 1.00 0.00 H new ATOM 0 HA ASP A 28 1.101 -10.300 2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.962 -9.557 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.415 -9.164 -0.498 1.00 0.00 H new ATOM 391 N GLU A 29 2.051 -7.474 0.717 1.00 0.00 N ATOM 392 CA GLU A 29 3.196 -6.710 0.251 1.00 0.00 C ATOM 393 C GLU A 29 4.274 -6.656 1.335 1.00 0.00 C ATOM 394 O GLU A 29 5.457 -6.835 1.048 1.00 0.00 O ATOM 395 CB GLU A 29 2.778 -5.302 -0.178 1.00 0.00 C ATOM 396 CG GLU A 29 3.991 -4.373 -0.263 1.00 0.00 C ATOM 397 CD GLU A 29 4.386 -3.859 1.123 1.00 0.00 C ATOM 398 OE1 GLU A 29 3.456 -3.578 1.910 1.00 0.00 O ATOM 399 OE2 GLU A 29 5.608 -3.758 1.364 1.00 0.00 O ATOM 0 H GLU A 29 1.167 -6.966 0.707 1.00 0.00 H new ATOM 0 HA GLU A 29 3.612 -7.211 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.280 -5.346 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.057 -4.900 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.831 -4.905 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.763 -3.530 -0.916 1.00 0.00 H new ATOM 406 N LEU A 30 3.827 -6.409 2.558 1.00 0.00 N ATOM 407 CA LEU A 30 4.740 -6.329 3.686 1.00 0.00 C ATOM 408 C LEU A 30 5.441 -7.677 3.866 1.00 0.00 C ATOM 409 O LEU A 30 6.664 -7.734 3.979 1.00 0.00 O ATOM 410 CB LEU A 30 4.003 -5.847 4.937 1.00 0.00 C ATOM 411 CG LEU A 30 3.147 -4.590 4.770 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.226 -4.390 5.974 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.022 -3.363 4.507 1.00 0.00 C ATOM 0 H LEU A 30 2.845 -6.262 2.792 1.00 0.00 H new ATOM 0 HA LEU A 30 5.517 -5.589 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.362 -6.655 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.739 -5.660 5.718 1.00 0.00 H new ATOM 0 HG LEU A 30 2.509 -4.724 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.629 -3.490 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.566 -5.251 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.826 -4.286 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.389 -2.483 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.702 -3.214 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.599 -3.516 3.595 1.00 0.00 H new ATOM 425 N LYS A 31 4.635 -8.729 3.886 1.00 0.00 N ATOM 426 CA LYS A 31 5.163 -10.073 4.050 1.00 0.00 C ATOM 427 C LYS A 31 6.013 -10.435 2.830 1.00 0.00 C ATOM 428 O LYS A 31 6.727 -11.436 2.842 1.00 0.00 O ATOM 429 CB LYS A 31 4.031 -11.063 4.326 1.00 0.00 C ATOM 430 CG LYS A 31 4.309 -12.413 3.662 1.00 0.00 C ATOM 431 CD LYS A 31 4.105 -12.331 2.147 1.00 0.00 C ATOM 432 CE LYS A 31 3.149 -13.423 1.663 1.00 0.00 C ATOM 433 NZ LYS A 31 1.761 -13.118 2.078 1.00 0.00 N ATOM 0 H LYS A 31 3.621 -8.678 3.791 1.00 0.00 H new ATOM 0 HA LYS A 31 5.817 -10.122 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.917 -11.199 5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.090 -10.658 3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.331 -12.725 3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.648 -13.172 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.707 -11.351 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.065 -12.433 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.201 -13.505 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.453 -14.387 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.444 -13.822 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.726 -12.170 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.136 -13.147 1.247 1.00 0.00 H new ATOM 447 N ARG A 32 5.908 -9.599 1.807 1.00 0.00 N ATOM 448 CA ARG A 32 6.658 -9.819 0.582 1.00 0.00 C ATOM 449 C ARG A 32 8.048 -9.190 0.691 1.00 0.00 C ATOM 450 O ARG A 32 9.054 -9.850 0.436 1.00 0.00 O ATOM 451 CB ARG A 32 5.929 -9.223 -0.624 1.00 0.00 C ATOM 452 CG ARG A 32 5.947 -10.192 -1.809 1.00 0.00 C ATOM 453 CD ARG A 32 4.603 -10.910 -1.949 1.00 0.00 C ATOM 454 NE ARG A 32 3.947 -10.514 -3.215 1.00 0.00 N ATOM 455 CZ ARG A 32 4.225 -11.058 -4.408 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.148 -12.025 -4.504 1.00 0.00 N ATOM 457 NH2 ARG A 32 3.580 -10.636 -5.504 1.00 0.00 N ATOM 0 H ARG A 32 5.315 -8.769 1.801 1.00 0.00 H new ATOM 0 HA ARG A 32 6.753 -10.895 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.899 -8.993 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.401 -8.283 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.170 -9.647 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.743 -10.925 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.754 -11.989 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.960 -10.664 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 32 3.239 -9.781 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.638 -12.347 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.360 -12.439 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.877 -9.900 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.792 -11.050 -6.412 1.00 0.00 H new ATOM 471 N ALA A 33 8.060 -7.920 1.070 1.00 0.00 N ATOM 472 CA ALA A 33 9.311 -7.194 1.215 1.00 0.00 C ATOM 473 C ALA A 33 9.806 -7.325 2.657 1.00 0.00 C ATOM 474 O ALA A 33 10.880 -6.830 2.995 1.00 0.00 O ATOM 475 CB ALA A 33 9.106 -5.736 0.799 1.00 0.00 C ATOM 0 H ALA A 33 7.224 -7.375 1.281 1.00 0.00 H new ATOM 0 HA ALA A 33 10.077 -7.614 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.044 -5.191 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.782 -5.696 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.346 -5.280 1.434 1.00 0.00 H new ATOM 481 N SER A 34 9.000 -7.994 3.468 1.00 0.00 N ATOM 482 CA SER A 34 9.343 -8.197 4.865 1.00 0.00 C ATOM 483 C SER A 34 9.715 -6.861 5.511 1.00 0.00 C ATOM 484 O SER A 34 10.718 -6.766 6.217 1.00 0.00 O ATOM 485 CB SER A 34 10.493 -9.195 5.011 1.00 0.00 C ATOM 486 OG SER A 34 10.519 -9.795 6.303 1.00 0.00 O ATOM 0 H SER A 34 8.110 -8.403 3.184 1.00 0.00 H new ATOM 0 HA SER A 34 8.473 -8.611 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.397 -9.972 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.440 -8.686 4.828 1.00 0.00 H new ATOM 0 HG SER A 34 11.266 -10.427 6.355 1.00 0.00 H new ATOM 492 N VAL A 35 8.887 -5.861 5.246 1.00 0.00 N ATOM 493 CA VAL A 35 9.116 -4.534 5.793 1.00 0.00 C ATOM 494 C VAL A 35 8.100 -4.263 6.904 1.00 0.00 C ATOM 495 O VAL A 35 7.218 -5.082 7.158 1.00 0.00 O ATOM 496 CB VAL A 35 9.071 -3.492 4.674 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.023 -4.164 3.300 1.00 0.00 C ATOM 498 CG2 VAL A 35 7.890 -2.538 4.860 1.00 0.00 C ATOM 0 H VAL A 35 8.056 -5.943 4.660 1.00 0.00 H new ATOM 0 HA VAL A 35 10.109 -4.470 6.238 1.00 0.00 H new ATOM 0 HB VAL A 35 9.987 -2.904 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.992 -3.401 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.911 -4.782 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.132 -4.789 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.881 -1.807 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.959 -3.105 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.987 -2.021 5.815 1.00 0.00 H new ATOM 508 N SER A 36 8.256 -3.109 7.536 1.00 0.00 N ATOM 509 CA SER A 36 7.363 -2.719 8.614 1.00 0.00 C ATOM 510 C SER A 36 6.283 -1.774 8.083 1.00 0.00 C ATOM 511 O SER A 36 6.569 -0.889 7.278 1.00 0.00 O ATOM 512 CB SER A 36 8.135 -2.055 9.756 1.00 0.00 C ATOM 513 OG SER A 36 8.389 -2.960 10.826 1.00 0.00 O ATOM 0 H SER A 36 8.988 -2.431 7.322 1.00 0.00 H new ATOM 0 HA SER A 36 6.889 -3.618 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.081 -1.667 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.568 -1.202 10.129 1.00 0.00 H new ATOM 0 HG SER A 36 8.885 -2.498 11.534 1.00 0.00 H new ATOM 519 N GLN A 37 5.065 -1.994 8.555 1.00 0.00 N ATOM 520 CA GLN A 37 3.941 -1.173 8.137 1.00 0.00 C ATOM 521 C GLN A 37 4.362 0.295 8.045 1.00 0.00 C ATOM 522 O GLN A 37 3.805 1.055 7.254 1.00 0.00 O ATOM 523 CB GLN A 37 2.754 -1.345 9.087 1.00 0.00 C ATOM 524 CG GLN A 37 1.860 -2.504 8.643 1.00 0.00 C ATOM 525 CD GLN A 37 0.991 -3.000 9.801 1.00 0.00 C ATOM 526 OE1 GLN A 37 -0.129 -2.561 10.003 1.00 0.00 O ATOM 527 NE2 GLN A 37 1.568 -3.938 10.547 1.00 0.00 N ATOM 0 H GLN A 37 4.832 -2.729 9.223 1.00 0.00 H new ATOM 0 HA GLN A 37 3.623 -1.502 7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.117 -1.528 10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.172 -0.424 9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.224 -2.182 7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.477 -3.322 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.509 -4.261 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.069 -4.334 11.344 1.00 0.00 H new ATOM 536 N ALA A 38 5.341 0.649 8.864 1.00 0.00 N ATOM 537 CA ALA A 38 5.843 2.013 8.884 1.00 0.00 C ATOM 538 C ALA A 38 6.658 2.271 7.616 1.00 0.00 C ATOM 539 O ALA A 38 6.253 3.057 6.762 1.00 0.00 O ATOM 540 CB ALA A 38 6.659 2.238 10.158 1.00 0.00 C ATOM 0 H ALA A 38 5.800 0.016 9.519 1.00 0.00 H new ATOM 0 HA ALA A 38 5.018 2.725 8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.035 3.261 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.026 2.071 11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.498 1.542 10.180 1.00 0.00 H new ATOM 546 N VAL A 39 7.794 1.593 7.533 1.00 0.00 N ATOM 547 CA VAL A 39 8.670 1.739 6.383 1.00 0.00 C ATOM 548 C VAL A 39 7.827 1.792 5.108 1.00 0.00 C ATOM 549 O VAL A 39 7.909 2.753 4.344 1.00 0.00 O ATOM 550 CB VAL A 39 9.706 0.613 6.368 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.422 0.544 5.018 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.708 0.774 7.513 1.00 0.00 C ATOM 0 H VAL A 39 8.128 0.941 8.243 1.00 0.00 H new ATOM 0 HA VAL A 39 9.227 2.674 6.444 1.00 0.00 H new ATOM 0 HB VAL A 39 9.178 -0.329 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.153 -0.265 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.693 0.358 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.931 1.489 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.433 -0.039 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.227 1.727 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.179 0.749 8.466 1.00 0.00 H new ATOM 562 N PHE A 40 7.034 0.748 4.916 1.00 0.00 N ATOM 563 CA PHE A 40 6.176 0.663 3.747 1.00 0.00 C ATOM 564 C PHE A 40 5.347 1.939 3.582 1.00 0.00 C ATOM 565 O PHE A 40 5.142 2.410 2.464 1.00 0.00 O ATOM 566 CB PHE A 40 5.232 -0.520 3.969 1.00 0.00 C ATOM 567 CG PHE A 40 4.020 -0.532 3.036 1.00 0.00 C ATOM 568 CD1 PHE A 40 4.110 -1.117 1.811 1.00 0.00 C ATOM 569 CD2 PHE A 40 2.852 0.042 3.430 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.985 -1.128 0.945 1.00 0.00 C ATOM 571 CE2 PHE A 40 1.727 0.031 2.564 1.00 0.00 C ATOM 572 CZ PHE A 40 1.817 -0.554 1.340 1.00 0.00 C ATOM 0 H PHE A 40 6.968 -0.047 5.552 1.00 0.00 H new ATOM 0 HA PHE A 40 6.781 0.536 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.790 -1.447 3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.883 -0.504 5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.037 -1.573 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.780 0.507 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.057 -1.592 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.800 0.487 2.878 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.961 -0.563 0.681 1.00 0.00 H new ATOM 582 N ALA A 41 4.893 2.461 4.712 1.00 0.00 N ATOM 583 CA ALA A 41 4.091 3.672 4.707 1.00 0.00 C ATOM 584 C ALA A 41 4.973 4.862 4.324 1.00 0.00 C ATOM 585 O ALA A 41 4.609 5.656 3.458 1.00 0.00 O ATOM 586 CB ALA A 41 3.430 3.853 6.075 1.00 0.00 C ATOM 0 H ALA A 41 5.065 2.067 5.637 1.00 0.00 H new ATOM 0 HA ALA A 41 3.294 3.601 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.828 4.762 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.791 2.996 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.199 3.931 6.843 1.00 0.00 H new ATOM 592 N ARG A 42 6.117 4.947 4.987 1.00 0.00 N ATOM 593 CA ARG A 42 7.054 6.026 4.727 1.00 0.00 C ATOM 594 C ARG A 42 7.303 6.163 3.223 1.00 0.00 C ATOM 595 O ARG A 42 7.645 7.242 2.743 1.00 0.00 O ATOM 596 CB ARG A 42 8.387 5.781 5.437 1.00 0.00 C ATOM 597 CG ARG A 42 9.343 6.958 5.231 1.00 0.00 C ATOM 598 CD ARG A 42 8.665 8.283 5.585 1.00 0.00 C ATOM 599 NE ARG A 42 9.585 9.126 6.381 1.00 0.00 N ATOM 600 CZ ARG A 42 9.202 10.201 7.083 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.914 10.571 7.092 1.00 0.00 N ATOM 602 NH2 ARG A 42 10.106 10.906 7.776 1.00 0.00 N ATOM 0 H ARG A 42 6.416 4.286 5.704 1.00 0.00 H new ATOM 0 HA ARG A 42 6.614 6.946 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.213 5.631 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.843 4.867 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.230 6.823 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.678 6.982 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.375 8.807 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.752 8.094 6.149 1.00 0.00 H new ATOM 0 HE ARG A 42 10.573 8.873 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.225 10.034 6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.622 11.389 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.086 10.624 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.814 11.724 8.310 1.00 0.00 H new ATOM 616 N VAL A 43 7.122 5.053 2.523 1.00 0.00 N ATOM 617 CA VAL A 43 7.322 5.035 1.084 1.00 0.00 C ATOM 618 C VAL A 43 5.962 5.043 0.384 1.00 0.00 C ATOM 619 O VAL A 43 5.736 5.833 -0.532 1.00 0.00 O ATOM 620 CB VAL A 43 8.189 3.837 0.691 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.556 3.901 1.376 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.479 2.519 1.007 1.00 0.00 C ATOM 0 H VAL A 43 6.839 4.160 2.926 1.00 0.00 H new ATOM 0 HA VAL A 43 7.859 5.928 0.762 1.00 0.00 H new ATOM 0 HB VAL A 43 8.351 3.880 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.152 3.038 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.069 4.816 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.422 3.895 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.117 1.684 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.272 2.464 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.542 2.469 0.453 1.00 0.00 H new ATOM 632 N ALA A 44 5.091 4.156 0.841 1.00 0.00 N ATOM 633 CA ALA A 44 3.759 4.051 0.270 1.00 0.00 C ATOM 634 C ALA A 44 3.151 5.450 0.146 1.00 0.00 C ATOM 635 O ALA A 44 2.784 5.876 -0.948 1.00 0.00 O ATOM 636 CB ALA A 44 2.905 3.119 1.132 1.00 0.00 C ATOM 0 H ALA A 44 5.282 3.503 1.601 1.00 0.00 H new ATOM 0 HA ALA A 44 3.803 3.620 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.906 3.041 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.364 2.131 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.835 3.520 2.143 1.00 0.00 H new ATOM 642 N PHE A 45 3.063 6.125 1.283 1.00 0.00 N ATOM 643 CA PHE A 45 2.506 7.467 1.315 1.00 0.00 C ATOM 644 C PHE A 45 3.128 8.292 2.443 1.00 0.00 C ATOM 645 O PHE A 45 2.424 9.000 3.161 1.00 0.00 O ATOM 646 CB PHE A 45 1.005 7.322 1.574 1.00 0.00 C ATOM 647 CG PHE A 45 0.656 6.292 2.650 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.828 4.966 2.404 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.174 6.703 3.854 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.504 4.010 3.403 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.150 5.748 4.853 1.00 0.00 C ATOM 652 CZ PHE A 45 0.022 4.421 4.607 1.00 0.00 C ATOM 0 H PHE A 45 3.368 5.768 2.188 1.00 0.00 H new ATOM 0 HA PHE A 45 2.709 7.977 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.602 8.291 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.512 7.042 0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.211 4.640 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.038 7.756 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.640 2.957 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.533 6.075 5.808 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.224 3.694 5.367 1.00 0.00 H new ATOM 662 N ASN A 46 4.442 8.174 2.563 1.00 0.00 N ATOM 663 CA ASN A 46 5.168 8.901 3.592 1.00 0.00 C ATOM 664 C ASN A 46 4.305 8.989 4.852 1.00 0.00 C ATOM 665 O ASN A 46 3.878 10.075 5.240 1.00 0.00 O ATOM 666 CB ASN A 46 5.489 10.326 3.137 1.00 0.00 C ATOM 667 CG ASN A 46 6.692 10.886 3.898 1.00 0.00 C ATOM 668 OD1 ASN A 46 6.572 11.442 4.977 1.00 0.00 O ATOM 669 ND2 ASN A 46 7.855 10.711 3.276 1.00 0.00 N ATOM 0 H ASN A 46 5.023 7.586 1.965 1.00 0.00 H new ATOM 0 HA ASN A 46 6.098 8.368 3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.696 10.332 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.622 10.967 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.717 11.051 3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.884 10.237 2.374 1.00 0.00 H new ATOM 676 N ARG A 47 4.075 7.833 5.456 1.00 0.00 N ATOM 677 CA ARG A 47 3.271 7.766 6.664 1.00 0.00 C ATOM 678 C ARG A 47 3.934 6.848 7.693 1.00 0.00 C ATOM 679 O ARG A 47 4.964 6.237 7.412 1.00 0.00 O ATOM 680 CB ARG A 47 1.863 7.249 6.361 1.00 0.00 C ATOM 681 CG ARG A 47 0.875 8.407 6.209 1.00 0.00 C ATOM 682 CD ARG A 47 0.860 9.283 7.463 1.00 0.00 C ATOM 683 NE ARG A 47 1.223 10.675 7.112 1.00 0.00 N ATOM 684 CZ ARG A 47 1.351 11.666 8.005 1.00 0.00 C ATOM 685 NH1 ARG A 47 1.146 11.425 9.307 1.00 0.00 N ATOM 686 NH2 ARG A 47 1.684 12.897 7.595 1.00 0.00 N ATOM 0 H ARG A 47 4.432 6.934 5.131 1.00 0.00 H new ATOM 0 HA ARG A 47 3.196 8.775 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.878 6.657 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.534 6.588 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.147 9.010 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.125 8.015 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.129 9.261 7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.561 8.890 8.200 1.00 0.00 H new ATOM 0 HE ARG A 47 1.386 10.893 6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.893 10.487 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.243 12.179 9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.840 13.080 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.782 13.652 8.274 1.00 0.00 H new ATOM 700 N THR A 48 3.316 6.781 8.863 1.00 0.00 N ATOM 701 CA THR A 48 3.834 5.947 9.935 1.00 0.00 C ATOM 702 C THR A 48 3.143 4.583 9.931 1.00 0.00 C ATOM 703 O THR A 48 2.425 4.249 8.990 1.00 0.00 O ATOM 704 CB THR A 48 3.664 6.710 11.251 1.00 0.00 C ATOM 705 OG1 THR A 48 2.274 7.022 11.294 1.00 0.00 O ATOM 706 CG2 THR A 48 4.352 8.077 11.228 1.00 0.00 C ATOM 0 H THR A 48 2.462 7.290 9.092 1.00 0.00 H new ATOM 0 HA THR A 48 4.895 5.739 9.797 1.00 0.00 H new ATOM 0 HB THR A 48 4.066 6.115 12.071 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.075 7.516 12.117 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.201 8.577 12.185 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.420 7.944 11.053 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.926 8.685 10.430 1.00 0.00 H new ATOM 714 N GLN A 49 3.384 3.830 10.994 1.00 0.00 N ATOM 715 CA GLN A 49 2.794 2.508 11.125 1.00 0.00 C ATOM 716 C GLN A 49 1.471 2.591 11.890 1.00 0.00 C ATOM 717 O GLN A 49 0.432 2.166 11.388 1.00 0.00 O ATOM 718 CB GLN A 49 3.762 1.540 11.807 1.00 0.00 C ATOM 719 CG GLN A 49 3.105 0.177 12.035 1.00 0.00 C ATOM 720 CD GLN A 49 2.473 0.099 13.426 1.00 0.00 C ATOM 721 OE1 GLN A 49 1.337 -0.592 13.466 1.00 0.00 O flip ATOM 722 NE2 GLN A 49 2.982 0.632 14.399 1.00 0.00 N flip ATOM 0 H GLN A 49 3.980 4.110 11.773 1.00 0.00 H new ATOM 0 HA GLN A 49 2.590 2.122 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.654 1.419 11.193 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.086 1.956 12.761 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.343 0.005 11.275 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.849 -0.612 11.925 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.856 1.148 14.299 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.533 0.561 15.312 1.00 0.00 H new ATOM 731 N GLY A 50 1.554 3.140 13.092 1.00 0.00 N ATOM 732 CA GLY A 50 0.376 3.284 13.932 1.00 0.00 C ATOM 733 C GLY A 50 -0.838 3.711 13.104 1.00 0.00 C ATOM 734 O GLY A 50 -1.973 3.379 13.444 1.00 0.00 O ATOM 0 H GLY A 50 2.418 3.491 13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.165 2.340 14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.568 4.022 14.710 1.00 0.00 H new ATOM 738 N LEU A 51 -0.558 4.440 12.034 1.00 0.00 N ATOM 739 CA LEU A 51 -1.614 4.915 11.156 1.00 0.00 C ATOM 740 C LEU A 51 -2.008 3.797 10.189 1.00 0.00 C ATOM 741 O LEU A 51 -3.147 3.331 10.204 1.00 0.00 O ATOM 742 CB LEU A 51 -1.189 6.209 10.459 1.00 0.00 C ATOM 743 CG LEU A 51 -2.073 6.667 9.297 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.584 6.079 7.972 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.543 6.337 9.563 1.00 0.00 C ATOM 0 H LEU A 51 0.384 4.713 11.755 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.504 5.168 11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.159 7.006 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.172 6.081 10.087 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.996 7.751 9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.229 6.420 7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.562 6.407 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.612 4.991 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.149 6.673 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.658 5.260 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.871 6.842 10.471 1.00 0.00 H new ATOM 757 N LEU A 52 -1.045 3.399 9.370 1.00 0.00 N ATOM 758 CA LEU A 52 -1.278 2.345 8.398 1.00 0.00 C ATOM 759 C LEU A 52 -1.970 1.166 9.086 1.00 0.00 C ATOM 760 O LEU A 52 -2.813 0.500 8.486 1.00 0.00 O ATOM 761 CB LEU A 52 0.027 1.966 7.695 1.00 0.00 C ATOM 762 CG LEU A 52 -0.018 0.706 6.828 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.997 0.877 5.664 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.382 0.320 6.348 1.00 0.00 C ATOM 0 H LEU A 52 -0.102 3.788 9.360 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.947 2.694 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.335 2.803 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.799 1.834 8.453 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.386 -0.117 7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.010 -0.032 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.996 1.069 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.682 1.717 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.321 -0.579 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.802 1.135 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.022 0.128 7.209 1.00 0.00 H new ATOM 776 N SER A 53 -1.589 0.945 10.335 1.00 0.00 N ATOM 777 CA SER A 53 -2.163 -0.142 11.111 1.00 0.00 C ATOM 778 C SER A 53 -3.678 0.040 11.226 1.00 0.00 C ATOM 779 O SER A 53 -4.441 -0.879 10.932 1.00 0.00 O ATOM 780 CB SER A 53 -1.531 -0.219 12.502 1.00 0.00 C ATOM 781 OG SER A 53 -1.005 -1.514 12.779 1.00 0.00 O ATOM 0 H SER A 53 -0.890 1.500 10.829 1.00 0.00 H new ATOM 0 HA SER A 53 -1.954 -1.079 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.734 0.520 12.579 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.277 0.037 13.254 1.00 0.00 H new ATOM 0 HG SER A 53 -0.158 -1.426 13.265 1.00 0.00 H new ATOM 787 N GLU A 54 -4.068 1.232 11.654 1.00 0.00 N ATOM 788 CA GLU A 54 -5.478 1.546 11.811 1.00 0.00 C ATOM 789 C GLU A 54 -6.198 1.441 10.465 1.00 0.00 C ATOM 790 O GLU A 54 -7.392 1.149 10.417 1.00 0.00 O ATOM 791 CB GLU A 54 -5.665 2.934 12.426 1.00 0.00 C ATOM 792 CG GLU A 54 -5.890 3.989 11.341 1.00 0.00 C ATOM 793 CD GLU A 54 -5.565 5.390 11.862 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.722 5.472 12.782 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.166 6.348 11.329 1.00 0.00 O ATOM 0 H GLU A 54 -3.432 1.992 11.897 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.918 0.820 12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.515 2.922 13.108 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.787 3.196 13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.266 3.765 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.926 3.954 11.004 1.00 0.00 H new ATOM 802 N ILE A 55 -5.442 1.685 9.405 1.00 0.00 N ATOM 803 CA ILE A 55 -5.993 1.621 8.062 1.00 0.00 C ATOM 804 C ILE A 55 -6.221 0.158 7.677 1.00 0.00 C ATOM 805 O ILE A 55 -7.030 -0.139 6.799 1.00 0.00 O ATOM 806 CB ILE A 55 -5.102 2.384 7.080 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.192 3.893 7.316 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.433 2.009 5.634 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.068 4.630 6.584 1.00 0.00 C ATOM 0 H ILE A 55 -4.452 1.927 9.449 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.964 2.115 8.025 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.067 2.092 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.158 4.262 6.972 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.133 4.102 8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.785 2.565 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.276 0.940 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.474 2.254 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.155 5.701 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.103 4.276 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.144 4.439 5.514 1.00 0.00 H new ATOM 821 N LEU A 56 -5.492 -0.719 8.353 1.00 0.00 N ATOM 822 CA LEU A 56 -5.604 -2.144 8.093 1.00 0.00 C ATOM 823 C LEU A 56 -6.576 -2.766 9.097 1.00 0.00 C ATOM 824 O LEU A 56 -7.101 -3.854 8.866 1.00 0.00 O ATOM 825 CB LEU A 56 -4.221 -2.798 8.090 1.00 0.00 C ATOM 826 CG LEU A 56 -3.250 -2.308 7.014 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.806 -2.656 7.380 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.639 -2.848 5.636 1.00 0.00 C ATOM 0 H LEU A 56 -4.822 -0.470 9.080 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.016 -2.319 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.763 -2.637 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.350 -3.874 7.972 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.316 -1.221 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.136 -2.297 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.546 -2.182 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.705 -3.737 7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.932 -2.484 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.620 -3.938 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.643 -2.507 5.382 1.00 0.00 H new ATOM 840 N ARG A 57 -6.787 -2.049 10.191 1.00 0.00 N ATOM 841 CA ARG A 57 -7.687 -2.517 11.231 1.00 0.00 C ATOM 842 C ARG A 57 -9.132 -2.151 10.887 1.00 0.00 C ATOM 843 O ARG A 57 -10.024 -2.995 10.957 1.00 0.00 O ATOM 844 CB ARG A 57 -7.324 -1.910 12.588 1.00 0.00 C ATOM 845 CG ARG A 57 -6.139 -2.645 13.217 1.00 0.00 C ATOM 846 CD ARG A 57 -5.789 -2.052 14.584 1.00 0.00 C ATOM 847 NE ARG A 57 -4.328 -2.128 14.809 1.00 0.00 N ATOM 848 CZ ARG A 57 -3.665 -3.265 15.058 1.00 0.00 C ATOM 849 NH1 ARG A 57 -4.327 -4.429 15.115 1.00 0.00 N ATOM 850 NH2 ARG A 57 -2.339 -3.239 15.251 1.00 0.00 N ATOM 0 H ARG A 57 -6.350 -1.147 10.380 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.588 -3.601 11.292 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.079 -0.855 12.465 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.184 -1.961 13.255 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.379 -3.703 13.326 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.274 -2.581 12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.120 -1.015 14.635 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.315 -2.594 15.370 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.793 -1.261 14.772 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.336 -4.449 14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.822 -5.294 15.305 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.835 -2.353 15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.834 -4.105 15.441 1.00 0.00 H new ATOM 864 N LYS A 58 -9.319 -0.891 10.523 1.00 0.00 N ATOM 865 CA LYS A 58 -10.641 -0.402 10.168 1.00 0.00 C ATOM 866 C LYS A 58 -10.924 -0.731 8.701 1.00 0.00 C ATOM 867 O LYS A 58 -12.050 -1.077 8.345 1.00 0.00 O ATOM 868 CB LYS A 58 -10.769 1.086 10.500 1.00 0.00 C ATOM 869 CG LYS A 58 -10.520 1.338 11.989 1.00 0.00 C ATOM 870 CD LYS A 58 -9.999 2.758 12.224 1.00 0.00 C ATOM 871 CE LYS A 58 -9.439 2.908 13.640 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.359 3.708 14.479 1.00 0.00 N ATOM 0 H LYS A 58 -8.577 -0.193 10.466 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.405 -0.904 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.056 1.658 9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.764 1.439 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.445 1.189 12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.799 0.614 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.222 2.990 11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.805 3.475 12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.293 1.924 14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.461 3.389 13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.964 3.800 15.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.477 4.653 14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.283 3.234 14.530 1.00 0.00 H new ATOM 886 N GLU A 59 -9.884 -0.613 7.889 1.00 0.00 N ATOM 887 CA GLU A 59 -10.007 -0.893 6.469 1.00 0.00 C ATOM 888 C GLU A 59 -11.040 0.038 5.831 1.00 0.00 C ATOM 889 O GLU A 59 -11.928 -0.416 5.110 1.00 0.00 O ATOM 890 CB GLU A 59 -10.368 -2.360 6.229 1.00 0.00 C ATOM 891 CG GLU A 59 -9.140 -3.260 6.382 1.00 0.00 C ATOM 892 CD GLU A 59 -9.234 -4.478 5.462 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.143 -4.472 4.604 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.395 -5.388 5.637 1.00 0.00 O ATOM 0 H GLU A 59 -8.952 -0.327 8.188 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.042 -0.709 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.139 -2.668 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.786 -2.476 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.238 -2.693 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.052 -3.588 7.418 1.00 0.00 H new ATOM 901 N GLU A 60 -10.892 1.322 6.121 1.00 0.00 N ATOM 902 CA GLU A 60 -11.801 2.320 5.585 1.00 0.00 C ATOM 903 C GLU A 60 -12.000 2.106 4.083 1.00 0.00 C ATOM 904 O GLU A 60 -11.124 2.434 3.285 1.00 0.00 O ATOM 905 CB GLU A 60 -11.296 3.735 5.875 1.00 0.00 C ATOM 906 CG GLU A 60 -12.151 4.414 6.947 1.00 0.00 C ATOM 907 CD GLU A 60 -12.479 5.856 6.553 1.00 0.00 C ATOM 908 OE1 GLU A 60 -11.576 6.706 6.707 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.627 6.075 6.109 1.00 0.00 O ATOM 0 H GLU A 60 -10.156 1.694 6.721 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.766 2.206 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.258 3.694 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.316 4.327 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.075 3.853 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.621 4.405 7.900 1.00 0.00 H new ATOM 916 N ASP A 61 -13.156 1.556 3.744 1.00 0.00 N ATOM 917 CA ASP A 61 -13.481 1.294 2.352 1.00 0.00 C ATOM 918 C ASP A 61 -13.102 2.511 1.507 1.00 0.00 C ATOM 919 O ASP A 61 -13.355 3.648 1.901 1.00 0.00 O ATOM 920 CB ASP A 61 -14.980 1.042 2.174 1.00 0.00 C ATOM 921 CG ASP A 61 -15.640 0.242 3.299 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.647 -1.002 3.181 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.121 0.893 4.251 1.00 0.00 O ATOM 0 H ASP A 61 -13.880 1.284 4.409 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.927 0.410 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.487 2.003 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.135 0.513 1.233 1.00 0.00 H new ATOM 928 N PRO A 62 -12.485 2.224 0.329 1.00 0.00 N ATOM 929 CA PRO A 62 -12.068 3.282 -0.575 1.00 0.00 C ATOM 930 C PRO A 62 -13.270 3.878 -1.311 1.00 0.00 C ATOM 931 O PRO A 62 -13.112 4.771 -2.142 1.00 0.00 O ATOM 932 CB PRO A 62 -11.064 2.627 -1.510 1.00 0.00 C ATOM 933 CG PRO A 62 -11.302 1.130 -1.395 1.00 0.00 C ATOM 934 CD PRO A 62 -12.168 0.889 -0.170 1.00 0.00 C ATOM 0 HA PRO A 62 -11.616 4.127 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.206 2.967 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.043 2.883 -1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.794 0.752 -2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.355 0.599 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.072 0.337 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.638 0.301 0.580 1.00 0.00 H new ATOM 942 N ARG A 63 -14.443 3.361 -0.978 1.00 0.00 N ATOM 943 CA ARG A 63 -15.671 3.832 -1.597 1.00 0.00 C ATOM 944 C ARG A 63 -16.249 5.006 -0.804 1.00 0.00 C ATOM 945 O ARG A 63 -16.784 5.949 -1.386 1.00 0.00 O ATOM 946 CB ARG A 63 -16.713 2.715 -1.673 1.00 0.00 C ATOM 947 CG ARG A 63 -16.063 1.383 -2.053 1.00 0.00 C ATOM 948 CD ARG A 63 -16.813 0.716 -3.208 1.00 0.00 C ATOM 949 NE ARG A 63 -16.414 -0.705 -3.318 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.051 -1.608 -4.075 1.00 0.00 C ATOM 951 NH1 ARG A 63 -18.122 -1.243 -4.794 1.00 0.00 N ATOM 952 NH2 ARG A 63 -16.618 -2.875 -4.114 1.00 0.00 N ATOM 0 H ARG A 63 -14.570 2.621 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.429 4.157 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -17.217 2.617 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.476 2.974 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.024 1.549 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.054 0.719 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.888 0.789 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -16.597 1.236 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.603 -1.016 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -18.451 -0.278 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.607 -1.930 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.803 -3.152 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.103 -3.562 -4.691 1.00 0.00 H new ATOM 966 N THR A 64 -16.120 4.911 0.511 1.00 0.00 N ATOM 967 CA THR A 64 -16.623 5.953 1.390 1.00 0.00 C ATOM 968 C THR A 64 -15.466 6.644 2.114 1.00 0.00 C ATOM 969 O THR A 64 -15.628 7.742 2.643 1.00 0.00 O ATOM 970 CB THR A 64 -17.643 5.320 2.339 1.00 0.00 C ATOM 971 OG1 THR A 64 -17.795 6.284 3.377 1.00 0.00 O ATOM 972 CG2 THR A 64 -17.090 4.086 3.054 1.00 0.00 C ATOM 0 H THR A 64 -15.674 4.128 0.989 1.00 0.00 H new ATOM 0 HA THR A 64 -17.127 6.738 0.826 1.00 0.00 H new ATOM 0 HB THR A 64 -18.537 5.045 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.441 5.955 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.854 3.676 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.806 3.335 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.215 4.367 3.641 1.00 0.00 H new ATOM 980 N ALA A 65 -14.324 5.972 2.114 1.00 0.00 N ATOM 981 CA ALA A 65 -13.141 6.507 2.764 1.00 0.00 C ATOM 982 C ALA A 65 -13.068 8.016 2.520 1.00 0.00 C ATOM 983 O ALA A 65 -13.493 8.500 1.472 1.00 0.00 O ATOM 984 CB ALA A 65 -11.900 5.774 2.251 1.00 0.00 C ATOM 0 H ALA A 65 -14.193 5.061 1.674 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.191 6.349 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.012 6.176 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.987 4.711 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.815 5.912 1.173 1.00 0.00 H new ATOM 990 N SER A 66 -12.527 8.717 3.506 1.00 0.00 N ATOM 991 CA SER A 66 -12.394 10.161 3.411 1.00 0.00 C ATOM 992 C SER A 66 -11.203 10.519 2.520 1.00 0.00 C ATOM 993 O SER A 66 -10.257 9.743 2.400 1.00 0.00 O ATOM 994 CB SER A 66 -12.229 10.791 4.796 1.00 0.00 C ATOM 995 OG SER A 66 -10.985 11.475 4.926 1.00 0.00 O ATOM 0 H SER A 66 -12.176 8.312 4.374 1.00 0.00 H new ATOM 0 HA SER A 66 -13.306 10.560 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.047 11.488 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.297 10.015 5.558 1.00 0.00 H new ATOM 0 HG SER A 66 -10.918 11.865 5.823 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.290 11.696 1.916 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.232 12.166 1.039 1.00 0.00 C ATOM 1003 C GLN A 67 -8.867 11.972 1.702 1.00 0.00 C ATOM 1004 O GLN A 67 -7.927 11.493 1.069 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.450 13.630 0.652 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.939 13.749 -0.792 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.433 15.167 -1.089 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.715 16.143 -0.950 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.695 15.224 -1.505 1.00 0.00 N ATOM 0 H GLN A 67 -12.077 12.337 2.017 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.257 11.575 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.178 14.083 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.519 14.184 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.130 13.491 -1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.744 13.035 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.240 14.367 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.118 16.125 -1.730 1.00 0.00 H new ATOM 1018 N SER A 68 -8.800 12.353 2.969 1.00 0.00 N ATOM 1019 CA SER A 68 -7.566 12.227 3.725 1.00 0.00 C ATOM 1020 C SER A 68 -7.020 10.803 3.602 1.00 0.00 C ATOM 1021 O SER A 68 -5.809 10.604 3.528 1.00 0.00 O ATOM 1022 CB SER A 68 -7.782 12.587 5.197 1.00 0.00 C ATOM 1023 OG SER A 68 -7.104 13.787 5.558 1.00 0.00 O ATOM 0 H SER A 68 -9.581 12.749 3.491 1.00 0.00 H new ATOM 0 HA SER A 68 -6.839 12.926 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.849 12.701 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.431 11.769 5.826 1.00 0.00 H new ATOM 0 HG SER A 68 -7.268 13.983 6.504 1.00 0.00 H new ATOM 1029 N LEU A 69 -7.940 9.850 3.584 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.566 8.451 3.470 1.00 0.00 C ATOM 1031 C LEU A 69 -7.378 8.096 1.994 1.00 0.00 C ATOM 1032 O LEU A 69 -6.328 7.589 1.603 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.583 7.564 4.192 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.002 6.439 5.051 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.053 5.889 6.017 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.395 5.340 4.177 1.00 0.00 C ATOM 0 H LEU A 69 -8.944 10.019 3.646 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.612 8.270 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.201 8.198 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.243 7.121 3.446 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.194 6.852 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.614 5.091 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.397 6.688 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.897 5.496 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.989 4.553 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.166 4.923 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.597 5.761 3.566 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.412 8.375 1.215 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.374 8.091 -0.210 1.00 0.00 C ATOM 1050 C LEU A 70 -7.038 8.565 -0.784 1.00 0.00 C ATOM 1051 O LEU A 70 -6.423 7.870 -1.591 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.593 8.696 -0.909 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.802 7.771 -1.068 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -12.045 8.561 -1.483 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.496 6.631 -2.041 1.00 0.00 C ATOM 0 H LEU A 70 -9.282 8.795 1.543 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.434 7.017 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.906 9.578 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.288 9.036 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.016 7.319 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.890 7.881 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.273 9.307 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.859 9.059 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.372 5.989 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.242 7.044 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.656 6.047 -1.664 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.627 9.746 -0.346 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.375 10.322 -0.807 1.00 0.00 C ATOM 1069 C VAL A 71 -4.240 9.327 -0.557 1.00 0.00 C ATOM 1070 O VAL A 71 -3.344 9.181 -1.387 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.143 11.676 -0.134 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.655 12.033 -0.120 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.964 12.774 -0.813 1.00 0.00 C ATOM 0 H VAL A 71 -7.139 10.320 0.324 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.412 10.510 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.479 11.598 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.517 13.000 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.103 11.270 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.283 12.083 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.781 13.726 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.673 12.850 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.024 12.529 -0.748 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.314 8.669 0.591 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.304 7.692 0.961 1.00 0.00 C ATOM 1085 C ASN A 72 -3.576 6.380 0.224 1.00 0.00 C ATOM 1086 O ASN A 72 -2.684 5.830 -0.422 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.337 7.407 2.463 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.578 8.691 3.260 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -3.239 9.785 2.841 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -4.180 8.496 4.430 1.00 0.00 N ATOM 0 H ASN A 72 -5.058 8.794 1.277 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.328 8.098 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.124 6.685 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.395 6.955 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.384 9.290 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.437 7.553 4.720 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.811 5.915 0.344 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.211 4.677 -0.302 1.00 0.00 C ATOM 1099 C LEU A 73 -4.708 4.676 -1.748 1.00 0.00 C ATOM 1100 O LEU A 73 -4.261 3.647 -2.252 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.722 4.471 -0.177 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.287 4.506 1.245 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.804 4.306 1.236 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.580 3.487 2.141 1.00 0.00 C ATOM 0 H LEU A 73 -5.548 6.374 0.879 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.754 3.822 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.224 5.239 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.976 3.510 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.094 5.493 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.181 4.335 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.272 5.100 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.041 3.340 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.000 3.532 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.720 2.486 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.515 3.716 2.183 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.799 5.841 -2.373 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.359 5.987 -3.750 1.00 0.00 C ATOM 1118 C ARG A 74 -2.837 5.851 -3.838 1.00 0.00 C ATOM 1119 O ARG A 74 -2.322 5.171 -4.724 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.776 7.344 -4.320 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.140 7.253 -5.008 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.765 8.640 -5.173 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.647 8.660 -6.361 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.407 9.705 -6.714 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.398 10.822 -5.973 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.177 9.634 -7.809 1.00 0.00 N ATOM 0 H ARG A 74 -5.171 6.692 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.832 5.199 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.817 8.082 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.027 7.689 -5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.028 6.782 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.805 6.618 -4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.336 8.899 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.982 9.391 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.678 7.826 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.812 10.877 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.977 11.617 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.184 8.784 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.756 10.430 -8.078 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.161 6.508 -2.907 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.709 6.469 -2.869 1.00 0.00 C ATOM 1142 C ALA A 75 -0.246 5.019 -2.712 1.00 0.00 C ATOM 1143 O ALA A 75 0.530 4.520 -3.525 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.204 7.368 -1.739 1.00 0.00 C ATOM 0 H ALA A 75 -2.592 7.070 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.290 6.850 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.885 7.339 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.535 8.392 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.602 7.015 -0.788 1.00 0.00 H new ATOM 1150 N MET A 76 -0.742 4.384 -1.660 1.00 0.00 N ATOM 1151 CA MET A 76 -0.389 3.001 -1.386 1.00 0.00 C ATOM 1152 C MET A 76 -0.506 2.145 -2.649 1.00 0.00 C ATOM 1153 O MET A 76 0.491 1.617 -3.140 1.00 0.00 O ATOM 1154 CB MET A 76 -1.315 2.443 -0.303 1.00 0.00 C ATOM 1155 CG MET A 76 -0.938 2.989 1.075 1.00 0.00 C ATOM 1156 SD MET A 76 -2.078 2.380 2.306 1.00 0.00 S ATOM 1157 CE MET A 76 -3.034 3.858 2.600 1.00 0.00 C ATOM 0 H MET A 76 -1.385 4.801 -0.987 1.00 0.00 H new ATOM 0 HA MET A 76 0.645 2.970 -1.043 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.348 2.705 -0.532 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.257 1.355 -0.295 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.079 2.688 1.329 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.954 4.079 1.060 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.798 3.654 3.350 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.377 4.651 2.958 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.511 4.173 1.672 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.732 2.034 -3.139 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.992 1.251 -4.335 1.00 0.00 C ATOM 1169 C GLN A 77 -1.047 1.673 -5.462 1.00 0.00 C ATOM 1170 O GLN A 77 -0.571 0.834 -6.225 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.454 1.380 -4.768 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.726 0.559 -6.030 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.461 -0.740 -5.691 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.404 -0.766 -4.917 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -3.978 -1.813 -6.311 1.00 0.00 N ATOM 0 H GLN A 77 -2.556 2.473 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.807 0.202 -4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.107 1.043 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.691 2.428 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.322 1.146 -6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.784 0.329 -6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.186 -1.721 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.400 -2.728 -6.151 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.803 2.974 -5.530 1.00 0.00 N ATOM 1185 CA ASN A 78 0.076 3.518 -6.551 1.00 0.00 C ATOM 1186 C ASN A 78 1.499 3.005 -6.318 1.00 0.00 C ATOM 1187 O ASN A 78 2.217 2.702 -7.270 1.00 0.00 O ATOM 1188 CB ASN A 78 0.109 5.046 -6.492 1.00 0.00 C ATOM 1189 CG ASN A 78 0.910 5.623 -7.661 1.00 0.00 C ATOM 1190 OD1 ASN A 78 1.147 4.972 -8.666 1.00 0.00 O ATOM 1191 ND2 ASN A 78 1.314 6.876 -7.474 1.00 0.00 N ATOM 0 H ASN A 78 -1.199 3.667 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.301 3.203 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.908 5.436 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.552 5.368 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.857 7.350 -8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.081 7.363 -6.609 1.00 0.00 H new ATOM 1198 N PHE A 79 1.864 2.924 -5.047 1.00 0.00 N ATOM 1199 CA PHE A 79 3.188 2.453 -4.677 1.00 0.00 C ATOM 1200 C PHE A 79 3.298 0.936 -4.847 1.00 0.00 C ATOM 1201 O PHE A 79 4.395 0.403 -5.002 1.00 0.00 O ATOM 1202 CB PHE A 79 3.392 2.805 -3.202 1.00 0.00 C ATOM 1203 CG PHE A 79 4.705 2.285 -2.614 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.876 2.911 -2.907 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.701 1.197 -1.799 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.095 2.429 -2.361 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.920 0.714 -1.253 1.00 0.00 C ATOM 1208 CZ PHE A 79 7.092 1.340 -1.546 1.00 0.00 C ATOM 0 H PHE A 79 1.266 3.177 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 79 3.940 2.918 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.360 3.889 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.561 2.400 -2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.879 3.775 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.771 0.700 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.025 2.927 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.917 -0.150 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.019 0.972 -1.132 1.00 0.00 H new ATOM 1218 N LEU A 80 2.145 0.284 -4.812 1.00 0.00 N ATOM 1219 CA LEU A 80 2.098 -1.161 -4.961 1.00 0.00 C ATOM 1220 C LEU A 80 2.227 -1.521 -6.442 1.00 0.00 C ATOM 1221 O LEU A 80 2.604 -2.642 -6.781 1.00 0.00 O ATOM 1222 CB LEU A 80 0.840 -1.727 -4.297 1.00 0.00 C ATOM 1223 CG LEU A 80 0.759 -1.577 -2.777 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.655 -1.873 -2.272 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.809 -2.446 -2.083 1.00 0.00 C ATOM 0 H LEU A 80 1.237 0.729 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 80 2.939 -1.625 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.030 -1.239 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.769 -2.787 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 80 0.981 -0.540 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.686 -1.759 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.358 -1.177 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.930 -2.894 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.729 -2.320 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.643 -3.492 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.804 -2.146 -2.411 1.00 0.00 H new ATOM 1237 N ASN A 81 1.907 -0.551 -7.285 1.00 0.00 N ATOM 1238 CA ASN A 81 1.983 -0.752 -8.722 1.00 0.00 C ATOM 1239 C ASN A 81 3.449 -0.732 -9.158 1.00 0.00 C ATOM 1240 O ASN A 81 3.783 -1.198 -10.247 1.00 0.00 O ATOM 1241 CB ASN A 81 1.251 0.362 -9.473 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.263 0.145 -9.436 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.756 -0.970 -9.379 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.972 1.269 -9.470 1.00 0.00 N ATOM 0 H ASN A 81 1.594 0.377 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 81 1.517 -1.710 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.495 1.327 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.592 0.393 -10.508 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.991 1.230 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.497 2.170 -9.518 1.00 0.00 H new ATOM 1251 N LEU A 82 4.286 -0.187 -8.287 1.00 0.00 N ATOM 1252 CA LEU A 82 5.708 -0.101 -8.569 1.00 0.00 C ATOM 1253 C LEU A 82 6.261 -1.505 -8.821 1.00 0.00 C ATOM 1254 O LEU A 82 5.615 -2.498 -8.489 1.00 0.00 O ATOM 1255 CB LEU A 82 6.431 0.653 -7.451 1.00 0.00 C ATOM 1256 CG LEU A 82 6.440 2.179 -7.568 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.240 2.811 -6.428 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.951 2.621 -8.941 1.00 0.00 C ATOM 0 H LEU A 82 4.006 0.199 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 82 5.881 0.477 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.969 0.384 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.463 0.305 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 82 5.414 2.535 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.231 3.896 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.792 2.536 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.269 2.452 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.947 3.710 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.967 2.254 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.303 2.215 -9.718 1.00 0.00 H new ATOM 1270 N PRO A 83 7.481 -1.544 -9.420 1.00 0.00 N ATOM 1271 CA PRO A 83 8.127 -2.811 -9.720 1.00 0.00 C ATOM 1272 C PRO A 83 8.692 -3.452 -8.451 1.00 0.00 C ATOM 1273 O PRO A 83 9.352 -2.785 -7.655 1.00 0.00 O ATOM 1274 CB PRO A 83 9.200 -2.472 -10.742 1.00 0.00 C ATOM 1275 CG PRO A 83 9.424 -0.973 -10.631 1.00 0.00 C ATOM 1276 CD PRO A 83 8.274 -0.388 -9.827 1.00 0.00 C ATOM 0 HA PRO A 83 7.435 -3.553 -10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.120 -3.020 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.881 -2.746 -11.748 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.376 -0.764 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.467 -0.519 -11.621 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.637 0.167 -8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.684 0.306 -10.426 1.00 0.00 H new ATOM 1284 N GLU A 84 8.411 -4.738 -8.301 1.00 0.00 N ATOM 1285 CA GLU A 84 8.883 -5.477 -7.142 1.00 0.00 C ATOM 1286 C GLU A 84 10.356 -5.160 -6.874 1.00 0.00 C ATOM 1287 O GLU A 84 10.772 -5.056 -5.721 1.00 0.00 O ATOM 1288 CB GLU A 84 8.671 -6.981 -7.327 1.00 0.00 C ATOM 1289 CG GLU A 84 9.120 -7.754 -6.086 1.00 0.00 C ATOM 1290 CD GLU A 84 9.186 -9.256 -6.370 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.107 -9.833 -6.625 1.00 0.00 O ATOM 1292 OE2 GLU A 84 10.314 -9.793 -6.326 1.00 0.00 O ATOM 0 H GLU A 84 7.862 -5.287 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 84 8.301 -5.165 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.618 -7.182 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.230 -7.326 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.099 -7.397 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.428 -7.565 -5.265 1.00 0.00 H new ATOM 1299 N VAL A 85 11.104 -5.016 -7.958 1.00 0.00 N ATOM 1300 CA VAL A 85 12.521 -4.713 -7.855 1.00 0.00 C ATOM 1301 C VAL A 85 12.701 -3.376 -7.133 1.00 0.00 C ATOM 1302 O VAL A 85 13.618 -3.219 -6.328 1.00 0.00 O ATOM 1303 CB VAL A 85 13.164 -4.735 -9.243 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.521 -5.804 -10.128 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.087 -3.357 -9.904 1.00 0.00 C ATOM 0 H VAL A 85 10.755 -5.104 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 85 13.032 -5.473 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 85 14.217 -4.990 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.996 -5.798 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.650 -6.783 -9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.457 -5.593 -10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.551 -3.400 -10.889 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.043 -3.061 -10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.612 -2.628 -9.287 1.00 0.00 H new ATOM 1315 N GLU A 86 11.812 -2.445 -7.449 1.00 0.00 N ATOM 1316 CA GLU A 86 11.862 -1.126 -6.841 1.00 0.00 C ATOM 1317 C GLU A 86 11.478 -1.209 -5.362 1.00 0.00 C ATOM 1318 O GLU A 86 12.264 -0.840 -4.491 1.00 0.00 O ATOM 1319 CB GLU A 86 10.957 -0.144 -7.588 1.00 0.00 C ATOM 1320 CG GLU A 86 11.772 0.742 -8.532 1.00 0.00 C ATOM 1321 CD GLU A 86 12.910 1.439 -7.784 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.592 2.170 -6.821 1.00 0.00 O ATOM 1323 OE2 GLU A 86 14.072 1.227 -8.193 1.00 0.00 O ATOM 0 H GLU A 86 11.053 -2.578 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 86 12.884 -0.753 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.208 -0.695 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.420 0.478 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.181 0.137 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.121 1.488 -8.989 1.00 0.00 H new ATOM 1330 N ARG A 87 10.269 -1.695 -5.123 1.00 0.00 N ATOM 1331 CA ARG A 87 9.771 -1.831 -3.765 1.00 0.00 C ATOM 1332 C ARG A 87 10.849 -2.433 -2.862 1.00 0.00 C ATOM 1333 O ARG A 87 11.092 -1.937 -1.763 1.00 0.00 O ATOM 1334 CB ARG A 87 8.525 -2.718 -3.721 1.00 0.00 C ATOM 1335 CG ARG A 87 7.510 -2.291 -4.784 1.00 0.00 C ATOM 1336 CD ARG A 87 6.080 -2.579 -4.323 1.00 0.00 C ATOM 1337 NE ARG A 87 5.636 -3.892 -4.840 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.877 -5.060 -4.230 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.560 -5.086 -3.078 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.435 -6.203 -4.773 1.00 0.00 N ATOM 0 H ARG A 87 9.619 -2.000 -5.848 1.00 0.00 H new ATOM 0 HA ARG A 87 9.507 -0.836 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.809 -3.758 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.068 -2.661 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.622 -1.227 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.709 -2.820 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.032 -2.573 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.410 -1.795 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 87 5.114 -3.909 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.897 -4.216 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.743 -5.976 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.915 -6.183 -5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.618 -7.093 -4.309 1.00 0.00 H new ATOM 1354 N ASP A 88 11.468 -3.494 -3.360 1.00 0.00 N ATOM 1355 CA ASP A 88 12.515 -4.169 -2.612 1.00 0.00 C ATOM 1356 C ASP A 88 13.613 -3.163 -2.258 1.00 0.00 C ATOM 1357 O ASP A 88 14.139 -3.178 -1.146 1.00 0.00 O ATOM 1358 CB ASP A 88 13.149 -5.289 -3.440 1.00 0.00 C ATOM 1359 CG ASP A 88 13.898 -6.348 -2.629 1.00 0.00 C ATOM 1360 OD1 ASP A 88 13.231 -7.320 -2.212 1.00 0.00 O ATOM 1361 OD2 ASP A 88 15.120 -6.162 -2.443 1.00 0.00 O ATOM 0 H ASP A 88 11.264 -3.902 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 88 12.067 -4.594 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.366 -5.781 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.841 -4.844 -4.155 1.00 0.00 H new ATOM 1366 N ARG A 89 13.926 -2.313 -3.225 1.00 0.00 N ATOM 1367 CA ARG A 89 14.951 -1.303 -3.030 1.00 0.00 C ATOM 1368 C ARG A 89 14.414 -0.161 -2.164 1.00 0.00 C ATOM 1369 O ARG A 89 15.007 0.179 -1.141 1.00 0.00 O ATOM 1370 CB ARG A 89 15.429 -0.736 -4.369 1.00 0.00 C ATOM 1371 CG ARG A 89 16.906 -1.057 -4.604 1.00 0.00 C ATOM 1372 CD ARG A 89 17.259 -0.958 -6.090 1.00 0.00 C ATOM 1373 NE ARG A 89 18.678 -1.323 -6.299 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.357 -1.082 -7.429 1.00 0.00 C ATOM 1375 NH1 ARG A 89 18.751 -0.475 -8.458 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.642 -1.448 -7.529 1.00 0.00 N ATOM 0 H ARG A 89 13.487 -2.303 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 89 15.793 -1.779 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.829 -1.152 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.281 0.344 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.527 -0.367 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.126 -2.061 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.616 -1.620 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.079 0.056 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 89 19.170 -1.787 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.773 -0.196 -8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.268 -0.292 -9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.103 -1.910 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.159 -1.265 -8.389 1.00 0.00 H new ATOM 1390 N ILE A 90 13.297 0.398 -2.605 1.00 0.00 N ATOM 1391 CA ILE A 90 12.673 1.494 -1.883 1.00 0.00 C ATOM 1392 C ILE A 90 12.678 1.180 -0.386 1.00 0.00 C ATOM 1393 O ILE A 90 13.106 2.002 0.423 1.00 0.00 O ATOM 1394 CB ILE A 90 11.280 1.782 -2.447 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.363 2.260 -3.898 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.524 2.773 -1.559 1.00 0.00 C ATOM 1397 CD1 ILE A 90 9.971 2.351 -4.526 1.00 0.00 C ATOM 0 H ILE A 90 12.808 0.113 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 90 13.243 2.414 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 90 10.713 0.851 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.847 3.236 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 90 11.982 1.574 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.537 2.961 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.416 2.356 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.079 3.709 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.059 2.693 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.499 1.369 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.362 3.056 -3.960 1.00 0.00 H new ATOM 1409 N TYR A 91 12.196 -0.011 -0.061 1.00 0.00 N ATOM 1410 CA TYR A 91 12.140 -0.443 1.325 1.00 0.00 C ATOM 1411 C TYR A 91 13.532 -0.436 1.958 1.00 0.00 C ATOM 1412 O TYR A 91 13.704 0.030 3.084 1.00 0.00 O ATOM 1413 CB TYR A 91 11.612 -1.878 1.298 1.00 0.00 C ATOM 1414 CG TYR A 91 10.161 -1.999 0.825 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.246 -1.019 1.151 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.769 -3.088 0.074 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.881 -1.133 0.706 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.404 -3.202 -0.371 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.527 -2.219 -0.033 1.00 0.00 C ATOM 1420 OH TYR A 91 6.238 -2.326 -0.453 1.00 0.00 O ATOM 0 H TYR A 91 11.841 -0.690 -0.734 1.00 0.00 H new ATOM 0 HA TYR A 91 11.507 0.224 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.247 -2.476 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.694 -2.303 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.553 -0.167 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.486 -3.855 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.154 -0.373 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.084 -4.049 -0.960 1.00 0.00 H new ATOM 0 HH TYR A 91 6.170 -3.039 -1.122 1.00 0.00 H new ATOM 1430 N GLN A 92 14.491 -0.959 1.208 1.00 0.00 N ATOM 1431 CA GLN A 92 15.864 -1.019 1.682 1.00 0.00 C ATOM 1432 C GLN A 92 16.372 0.385 2.016 1.00 0.00 C ATOM 1433 O GLN A 92 16.997 0.592 3.055 1.00 0.00 O ATOM 1434 CB GLN A 92 16.769 -1.700 0.654 1.00 0.00 C ATOM 1435 CG GLN A 92 18.242 -1.388 0.929 1.00 0.00 C ATOM 1436 CD GLN A 92 18.686 -1.976 2.270 1.00 0.00 C ATOM 1437 OE1 GLN A 92 17.910 -2.125 3.199 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.975 -2.301 2.318 1.00 0.00 N ATOM 0 H GLN A 92 14.345 -1.345 0.275 1.00 0.00 H new ATOM 0 HA GLN A 92 15.888 -1.618 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.610 -2.778 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.503 -1.365 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.859 -1.794 0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.394 -0.309 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.570 -2.150 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.369 -2.701 3.170 1.00 0.00 H new ATOM 1447 N ASP A 93 16.084 1.314 1.116 1.00 0.00 N ATOM 1448 CA ASP A 93 16.504 2.692 1.302 1.00 0.00 C ATOM 1449 C ASP A 93 15.873 3.245 2.582 1.00 0.00 C ATOM 1450 O ASP A 93 16.509 3.999 3.316 1.00 0.00 O ATOM 1451 CB ASP A 93 16.049 3.569 0.134 1.00 0.00 C ATOM 1452 CG ASP A 93 17.136 4.465 -0.464 1.00 0.00 C ATOM 1453 OD1 ASP A 93 17.825 3.981 -1.388 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.253 5.613 0.016 1.00 0.00 O ATOM 0 H ASP A 93 15.565 1.139 0.256 1.00 0.00 H new ATOM 0 HA ASP A 93 17.592 2.707 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.657 2.925 -0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.225 4.198 0.471 1.00 0.00 H new ATOM 1459 N GLU A 94 14.630 2.848 2.809 1.00 0.00 N ATOM 1460 CA GLU A 94 13.906 3.294 3.988 1.00 0.00 C ATOM 1461 C GLU A 94 14.647 2.871 5.258 1.00 0.00 C ATOM 1462 O GLU A 94 15.045 3.715 6.059 1.00 0.00 O ATOM 1463 CB GLU A 94 12.472 2.760 3.985 1.00 0.00 C ATOM 1464 CG GLU A 94 11.491 3.821 4.486 1.00 0.00 C ATOM 1465 CD GLU A 94 11.497 3.897 6.014 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.484 3.405 6.602 1.00 0.00 O ATOM 1467 OE2 GLU A 94 10.516 4.446 6.559 1.00 0.00 O ATOM 0 H GLU A 94 14.105 2.223 2.197 1.00 0.00 H new ATOM 0 HA GLU A 94 13.853 4.383 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.197 2.453 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.409 1.874 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.757 4.792 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.486 3.587 4.134 1.00 0.00 H new