USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 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 25 GLN : amide:sc= -0.676 K(o=-2.6,f=-1.1) USER MOD Set 1.2: A 77 GLN : amide:sc= -1.97 K(o=-2.6,f=-5.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 31:sc= -2.77! USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 37 GLN : amide:sc= -1 K(o=-1,f=-3.3!) USER MOD Single : A 46 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.28) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 49 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.042) USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0526 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.3) USER MOD Single : A 76 MET CE :methyl 179:sc= -5.57! (180deg=-5.65!) USER MOD Single : A 78 ASN : amide:sc=-0.00136 K(o=-0.0014,f=-1.2) USER MOD Single : A 81 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.5!) USER MOD Single : A 91 TYR OH : rot 68:sc= 0.625! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.48) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.034 2.172 -7.272 1.00 0.00 N ATOM 213 CA VAL A 18 -7.835 1.664 -5.925 1.00 0.00 C ATOM 214 C VAL A 18 -8.628 0.367 -5.752 1.00 0.00 C ATOM 215 O VAL A 18 -9.830 0.331 -6.011 1.00 0.00 O ATOM 216 CB VAL A 18 -8.212 2.736 -4.901 1.00 0.00 C ATOM 217 CG1 VAL A 18 -8.305 2.142 -3.494 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.223 3.903 -4.939 1.00 0.00 C ATOM 0 HA VAL A 18 -6.784 1.428 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.196 3.122 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.574 2.925 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.065 1.361 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.341 1.716 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.514 4.651 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.221 3.539 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.228 4.352 -5.932 1.00 0.00 H new ATOM 228 N SER A 19 -7.923 -0.666 -5.316 1.00 0.00 N ATOM 229 CA SER A 19 -8.546 -1.962 -5.105 1.00 0.00 C ATOM 230 C SER A 19 -9.158 -2.027 -3.705 1.00 0.00 C ATOM 231 O SER A 19 -8.679 -1.369 -2.783 1.00 0.00 O ATOM 232 CB SER A 19 -7.537 -3.096 -5.296 1.00 0.00 C ATOM 233 OG SER A 19 -7.867 -3.923 -6.409 1.00 0.00 O ATOM 0 H SER A 19 -6.926 -0.632 -5.103 1.00 0.00 H new ATOM 0 HA SER A 19 -9.336 -2.086 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.542 -2.675 -5.440 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.499 -3.703 -4.392 1.00 0.00 H new ATOM 0 HG SER A 19 -7.198 -4.634 -6.498 1.00 0.00 H new ATOM 239 N PRO A 20 -10.236 -2.848 -3.586 1.00 0.00 N ATOM 240 CA PRO A 20 -10.919 -3.007 -2.314 1.00 0.00 C ATOM 241 C PRO A 20 -10.104 -3.883 -1.360 1.00 0.00 C ATOM 242 O PRO A 20 -10.339 -3.877 -0.153 1.00 0.00 O ATOM 243 CB PRO A 20 -12.270 -3.609 -2.665 1.00 0.00 C ATOM 244 CG PRO A 20 -12.116 -4.194 -4.059 1.00 0.00 C ATOM 245 CD PRO A 20 -10.831 -3.643 -4.657 1.00 0.00 C ATOM 0 HA PRO A 20 -11.044 -2.063 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.553 -4.379 -1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.053 -2.851 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.080 -5.282 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.971 -3.929 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.164 -4.446 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.033 -3.033 -5.538 1.00 0.00 H new ATOM 253 N ASP A 21 -9.162 -4.614 -1.938 1.00 0.00 N ATOM 254 CA ASP A 21 -8.311 -5.493 -1.154 1.00 0.00 C ATOM 255 C ASP A 21 -6.991 -4.780 -0.851 1.00 0.00 C ATOM 256 O ASP A 21 -6.034 -5.405 -0.396 1.00 0.00 O ATOM 257 CB ASP A 21 -7.990 -6.777 -1.922 1.00 0.00 C ATOM 258 CG ASP A 21 -9.165 -7.380 -2.693 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.270 -7.412 -2.110 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.932 -7.796 -3.848 1.00 0.00 O ATOM 0 H ASP A 21 -8.969 -4.616 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.841 -5.745 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.182 -6.570 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.617 -7.520 -1.217 1.00 0.00 H new ATOM 265 N ILE A 22 -6.982 -3.482 -1.116 1.00 0.00 N ATOM 266 CA ILE A 22 -5.795 -2.678 -0.878 1.00 0.00 C ATOM 267 C ILE A 22 -5.211 -3.033 0.491 1.00 0.00 C ATOM 268 O ILE A 22 -3.995 -3.002 0.677 1.00 0.00 O ATOM 269 CB ILE A 22 -6.114 -1.191 -1.043 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.924 -0.325 -0.624 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.390 -0.816 -0.287 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.962 -0.111 -1.795 1.00 0.00 C ATOM 0 H ILE A 22 -7.778 -2.967 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.028 -2.901 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.298 -0.997 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.281 0.639 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.396 -0.801 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.593 0.246 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.227 -1.397 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.260 -1.029 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.125 0.508 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.588 -1.075 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.486 0.387 -2.610 1.00 0.00 H new ATOM 284 N TYR A 23 -6.103 -3.362 1.413 1.00 0.00 N ATOM 285 CA TYR A 23 -5.691 -3.723 2.759 1.00 0.00 C ATOM 286 C TYR A 23 -4.891 -5.027 2.756 1.00 0.00 C ATOM 287 O TYR A 23 -3.734 -5.050 3.175 1.00 0.00 O ATOM 288 CB TYR A 23 -6.982 -3.932 3.553 1.00 0.00 C ATOM 289 CG TYR A 23 -8.033 -2.843 3.330 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.861 -1.593 3.889 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.154 -3.111 2.571 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.850 -0.568 3.679 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.143 -2.086 2.361 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.943 -0.865 2.925 1.00 0.00 C ATOM 295 OH TYR A 23 -10.877 0.103 2.727 1.00 0.00 O ATOM 0 H TYR A 23 -7.110 -3.386 1.255 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.057 -2.947 3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.411 -4.897 3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.740 -3.977 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.984 -1.384 4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.289 -4.090 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.727 0.415 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.024 -2.283 1.769 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.442 0.981 2.720 1.00 0.00 H new ATOM 305 N GLN A 24 -5.538 -6.080 2.280 1.00 0.00 N ATOM 306 CA GLN A 24 -4.901 -7.384 2.217 1.00 0.00 C ATOM 307 C GLN A 24 -3.628 -7.314 1.372 1.00 0.00 C ATOM 308 O GLN A 24 -2.656 -8.015 1.647 1.00 0.00 O ATOM 309 CB GLN A 24 -5.865 -8.439 1.670 1.00 0.00 C ATOM 310 CG GLN A 24 -5.406 -9.849 2.047 1.00 0.00 C ATOM 311 CD GLN A 24 -5.988 -10.272 3.398 1.00 0.00 C ATOM 312 OE1 GLN A 24 -5.433 -10.007 4.452 1.00 0.00 O ATOM 313 NE2 GLN A 24 -7.133 -10.942 3.308 1.00 0.00 N ATOM 0 H GLN A 24 -6.497 -6.057 1.934 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.625 -7.681 3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.866 -8.261 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.929 -8.351 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.716 -10.555 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.317 -9.882 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.543 -11.130 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.601 -11.268 4.154 1.00 0.00 H new ATOM 322 N GLN A 25 -3.674 -6.459 0.360 1.00 0.00 N ATOM 323 CA GLN A 25 -2.536 -6.288 -0.527 1.00 0.00 C ATOM 324 C GLN A 25 -1.318 -5.802 0.261 1.00 0.00 C ATOM 325 O GLN A 25 -0.222 -6.340 0.110 1.00 0.00 O ATOM 326 CB GLN A 25 -2.871 -5.325 -1.668 1.00 0.00 C ATOM 327 CG GLN A 25 -3.794 -5.988 -2.693 1.00 0.00 C ATOM 328 CD GLN A 25 -3.485 -5.496 -4.108 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.665 -6.051 -4.821 1.00 0.00 O ATOM 330 NE2 GLN A 25 -4.186 -4.426 -4.474 1.00 0.00 N ATOM 0 H GLN A 25 -4.481 -5.878 0.135 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.296 -7.255 -0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.350 -4.432 -1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.952 -5.001 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.676 -7.071 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.833 -5.769 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.857 -4.010 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.053 -4.021 -5.401 1.00 0.00 H new ATOM 339 N VAL A 26 -1.550 -4.791 1.084 1.00 0.00 N ATOM 340 CA VAL A 26 -0.485 -4.227 1.896 1.00 0.00 C ATOM 341 C VAL A 26 0.157 -5.337 2.730 1.00 0.00 C ATOM 342 O VAL A 26 1.335 -5.646 2.556 1.00 0.00 O ATOM 343 CB VAL A 26 -1.028 -3.077 2.747 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.015 -2.606 3.762 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.499 -1.918 1.866 1.00 0.00 C ATOM 0 H VAL A 26 -2.460 -4.347 1.206 1.00 0.00 H new ATOM 0 HA VAL A 26 0.295 -3.804 1.263 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.890 -3.448 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.396 -1.788 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.281 -3.433 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.905 -2.261 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.880 -1.114 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.663 -1.549 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.290 -2.265 1.201 1.00 0.00 H new ATOM 355 N ARG A 27 -0.645 -5.906 3.617 1.00 0.00 N ATOM 356 CA ARG A 27 -0.170 -6.975 4.479 1.00 0.00 C ATOM 357 C ARG A 27 0.638 -7.990 3.668 1.00 0.00 C ATOM 358 O ARG A 27 1.716 -8.409 4.089 1.00 0.00 O ATOM 359 CB ARG A 27 -1.337 -7.691 5.163 1.00 0.00 C ATOM 360 CG ARG A 27 -2.179 -6.709 5.979 1.00 0.00 C ATOM 361 CD ARG A 27 -3.673 -6.995 5.808 1.00 0.00 C ATOM 362 NE ARG A 27 -4.259 -7.419 7.099 1.00 0.00 N ATOM 363 CZ ARG A 27 -4.071 -8.626 7.649 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.312 -9.536 7.023 1.00 0.00 N ATOM 365 NH2 ARG A 27 -4.642 -8.923 8.824 1.00 0.00 N ATOM 0 H ARG A 27 -1.621 -5.647 3.758 1.00 0.00 H new ATOM 0 HA ARG A 27 0.465 -6.528 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.962 -8.175 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.955 -8.477 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.909 -6.781 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.962 -5.688 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.183 -6.103 5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.819 -7.774 5.060 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.843 -6.750 7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.878 -9.309 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.168 -10.455 7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.220 -8.230 9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.499 -9.842 9.243 1.00 0.00 H new ATOM 379 N ASP A 28 0.087 -8.357 2.521 1.00 0.00 N ATOM 380 CA ASP A 28 0.743 -9.315 1.648 1.00 0.00 C ATOM 381 C ASP A 28 2.036 -8.703 1.106 1.00 0.00 C ATOM 382 O ASP A 28 3.027 -9.406 0.913 1.00 0.00 O ATOM 383 CB ASP A 28 -0.146 -9.672 0.455 1.00 0.00 C ATOM 384 CG ASP A 28 -0.061 -11.130 -0.001 1.00 0.00 C ATOM 385 OD1 ASP A 28 0.839 -11.417 -0.819 1.00 0.00 O ATOM 386 OD2 ASP A 28 -0.898 -11.925 0.479 1.00 0.00 O ATOM 0 H ASP A 28 -0.807 -8.008 2.176 1.00 0.00 H new ATOM 0 HA ASP A 28 0.947 -10.215 2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.181 -9.447 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.121 -9.029 -0.383 1.00 0.00 H new ATOM 391 N GLU A 29 1.986 -7.399 0.877 1.00 0.00 N ATOM 392 CA GLU A 29 3.141 -6.684 0.362 1.00 0.00 C ATOM 393 C GLU A 29 4.261 -6.663 1.404 1.00 0.00 C ATOM 394 O GLU A 29 5.421 -6.908 1.079 1.00 0.00 O ATOM 395 CB GLU A 29 2.762 -5.264 -0.064 1.00 0.00 C ATOM 396 CG GLU A 29 3.961 -4.536 -0.675 1.00 0.00 C ATOM 397 CD GLU A 29 4.440 -5.241 -1.946 1.00 0.00 C ATOM 398 OE1 GLU A 29 3.898 -4.902 -3.021 1.00 0.00 O ATOM 399 OE2 GLU A 29 5.337 -6.102 -1.815 1.00 0.00 O ATOM 0 H GLU A 29 1.163 -6.819 1.039 1.00 0.00 H new ATOM 0 HA GLU A 29 3.504 -7.209 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.948 -5.303 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.395 -4.708 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.687 -3.507 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.774 -4.494 0.050 1.00 0.00 H new ATOM 406 N LEU A 30 3.873 -6.369 2.637 1.00 0.00 N ATOM 407 CA LEU A 30 4.830 -6.313 3.729 1.00 0.00 C ATOM 408 C LEU A 30 5.441 -7.700 3.937 1.00 0.00 C ATOM 409 O LEU A 30 6.653 -7.830 4.106 1.00 0.00 O ATOM 410 CB LEU A 30 4.176 -5.734 4.985 1.00 0.00 C ATOM 411 CG LEU A 30 3.369 -4.449 4.789 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.615 -4.076 6.067 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.262 -3.309 4.297 1.00 0.00 C ATOM 0 H LEU A 30 2.909 -6.167 2.903 1.00 0.00 H new ATOM 0 HA LEU A 30 5.649 -5.637 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.518 -6.492 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.957 -5.541 5.721 1.00 0.00 H new ATOM 0 HG LEU A 30 2.623 -4.629 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.049 -3.159 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.931 -4.881 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.327 -3.921 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.663 -2.408 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.047 -3.120 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.714 -3.586 3.344 1.00 0.00 H new ATOM 425 N LYS A 31 4.574 -8.702 3.919 1.00 0.00 N ATOM 426 CA LYS A 31 5.013 -10.075 4.104 1.00 0.00 C ATOM 427 C LYS A 31 5.858 -10.502 2.901 1.00 0.00 C ATOM 428 O LYS A 31 6.495 -11.554 2.928 1.00 0.00 O ATOM 429 CB LYS A 31 3.816 -10.989 4.370 1.00 0.00 C ATOM 430 CG LYS A 31 4.267 -12.324 4.967 1.00 0.00 C ATOM 431 CD LYS A 31 3.651 -13.500 4.208 1.00 0.00 C ATOM 432 CE LYS A 31 2.377 -13.992 4.898 1.00 0.00 C ATOM 433 NZ LYS A 31 2.701 -15.021 5.912 1.00 0.00 N ATOM 0 H LYS A 31 3.570 -8.590 3.779 1.00 0.00 H new ATOM 0 HA LYS A 31 5.649 -10.156 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.123 -10.497 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.276 -11.166 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.354 -12.393 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.978 -12.373 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.422 -13.198 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.372 -14.315 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.866 -13.154 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.692 -14.405 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.825 -15.344 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.168 -15.828 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.337 -14.615 6.628 1.00 0.00 H new ATOM 447 N ARG A 32 5.835 -9.664 1.875 1.00 0.00 N ATOM 448 CA ARG A 32 6.590 -9.942 0.665 1.00 0.00 C ATOM 449 C ARG A 32 7.989 -9.330 0.761 1.00 0.00 C ATOM 450 O ARG A 32 8.987 -10.019 0.554 1.00 0.00 O ATOM 451 CB ARG A 32 5.880 -9.382 -0.569 1.00 0.00 C ATOM 452 CG ARG A 32 5.879 -10.401 -1.710 1.00 0.00 C ATOM 453 CD ARG A 32 4.516 -11.087 -1.832 1.00 0.00 C ATOM 454 NE ARG A 32 4.261 -11.456 -3.243 1.00 0.00 N ATOM 455 CZ ARG A 32 4.685 -12.593 -3.810 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.389 -13.478 -3.091 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.407 -12.845 -5.096 1.00 0.00 N ATOM 0 H ARG A 32 5.305 -8.792 1.857 1.00 0.00 H new ATOM 0 HA ARG A 32 6.668 -11.025 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.854 -9.116 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.375 -8.467 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.124 -9.902 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.652 -11.149 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.490 -11.977 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.731 -10.421 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 32 3.729 -10.804 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.602 -13.286 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.712 -14.344 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.872 -12.171 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.730 -13.711 -5.527 1.00 0.00 H new ATOM 471 N ALA A 33 8.017 -8.043 1.075 1.00 0.00 N ATOM 472 CA ALA A 33 9.277 -7.331 1.201 1.00 0.00 C ATOM 473 C ALA A 33 9.794 -7.466 2.634 1.00 0.00 C ATOM 474 O ALA A 33 10.880 -6.985 2.955 1.00 0.00 O ATOM 475 CB ALA A 33 9.082 -5.871 0.786 1.00 0.00 C ATOM 0 H ALA A 33 7.187 -7.475 1.246 1.00 0.00 H new ATOM 0 HA ALA A 33 10.028 -7.761 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.027 -5.337 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.743 -5.829 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.336 -5.406 1.431 1.00 0.00 H new ATOM 481 N SER A 34 8.991 -8.122 3.459 1.00 0.00 N ATOM 482 CA SER A 34 9.354 -8.327 4.851 1.00 0.00 C ATOM 483 C SER A 34 9.811 -7.005 5.472 1.00 0.00 C ATOM 484 O SER A 34 10.835 -6.956 6.152 1.00 0.00 O ATOM 485 CB SER A 34 10.452 -9.384 4.985 1.00 0.00 C ATOM 486 OG SER A 34 10.470 -9.973 6.282 1.00 0.00 O ATOM 0 H SER A 34 8.090 -8.518 3.190 1.00 0.00 H new ATOM 0 HA SER A 34 8.474 -8.687 5.384 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.300 -10.161 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.421 -8.928 4.780 1.00 0.00 H new ATOM 0 HG SER A 34 11.183 -10.643 6.327 1.00 0.00 H new ATOM 492 N VAL A 35 9.029 -5.967 5.217 1.00 0.00 N ATOM 493 CA VAL A 35 9.341 -4.648 5.743 1.00 0.00 C ATOM 494 C VAL A 35 8.420 -4.345 6.926 1.00 0.00 C ATOM 495 O VAL A 35 7.570 -5.160 7.281 1.00 0.00 O ATOM 496 CB VAL A 35 9.245 -3.604 4.628 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.184 -4.274 3.254 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.043 -2.682 4.843 1.00 0.00 C ATOM 0 H VAL A 35 8.180 -6.012 4.653 1.00 0.00 H new ATOM 0 HA VAL A 35 10.366 -4.617 6.112 1.00 0.00 H new ATOM 0 HB VAL A 35 10.147 -2.992 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.116 -3.510 2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.084 -4.869 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.308 -4.921 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.998 -1.949 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.127 -3.273 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.147 -2.166 5.797 1.00 0.00 H new ATOM 508 N SER A 36 8.621 -3.170 7.505 1.00 0.00 N ATOM 509 CA SER A 36 7.820 -2.750 8.642 1.00 0.00 C ATOM 510 C SER A 36 6.699 -1.818 8.176 1.00 0.00 C ATOM 511 O SER A 36 6.917 -0.956 7.326 1.00 0.00 O ATOM 512 CB SER A 36 8.682 -2.055 9.697 1.00 0.00 C ATOM 513 OG SER A 36 9.016 -2.929 10.773 1.00 0.00 O ATOM 0 H SER A 36 9.327 -2.496 7.208 1.00 0.00 H new ATOM 0 HA SER A 36 7.381 -3.638 9.098 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.596 -1.686 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.149 -1.187 10.086 1.00 0.00 H new ATOM 0 HG SER A 36 9.568 -2.449 11.425 1.00 0.00 H new ATOM 519 N GLN A 37 5.524 -2.023 8.752 1.00 0.00 N ATOM 520 CA GLN A 37 4.369 -1.212 8.407 1.00 0.00 C ATOM 521 C GLN A 37 4.771 0.259 8.283 1.00 0.00 C ATOM 522 O GLN A 37 4.144 1.017 7.545 1.00 0.00 O ATOM 523 CB GLN A 37 3.248 -1.390 9.432 1.00 0.00 C ATOM 524 CG GLN A 37 2.336 -2.558 9.052 1.00 0.00 C ATOM 525 CD GLN A 37 1.086 -2.587 9.933 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.271 -1.679 9.929 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.980 -3.678 10.686 1.00 0.00 N ATOM 0 H GLN A 37 5.347 -2.740 9.456 1.00 0.00 H new ATOM 0 HA GLN A 37 3.990 -1.547 7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.677 -1.566 10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.662 -0.473 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.045 -2.471 8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.880 -3.497 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.699 -4.401 10.641 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.180 -3.792 11.309 1.00 0.00 H new ATOM 536 N ALA A 38 5.815 0.618 9.016 1.00 0.00 N ATOM 537 CA ALA A 38 6.308 1.984 8.997 1.00 0.00 C ATOM 538 C ALA A 38 7.127 2.209 7.725 1.00 0.00 C ATOM 539 O ALA A 38 6.828 3.107 6.940 1.00 0.00 O ATOM 540 CB ALA A 38 7.118 2.252 10.267 1.00 0.00 C ATOM 0 H ALA A 38 6.333 -0.014 9.627 1.00 0.00 H new ATOM 0 HA ALA A 38 5.478 2.691 8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.488 3.277 10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.483 2.107 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.961 1.563 10.313 1.00 0.00 H new ATOM 546 N VAL A 39 8.146 1.378 7.561 1.00 0.00 N ATOM 547 CA VAL A 39 9.011 1.474 6.397 1.00 0.00 C ATOM 548 C VAL A 39 8.152 1.560 5.134 1.00 0.00 C ATOM 549 O VAL A 39 8.412 2.381 4.256 1.00 0.00 O ATOM 550 CB VAL A 39 9.991 0.300 6.375 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.626 0.142 4.992 1.00 0.00 C ATOM 552 CG2 VAL A 39 11.063 0.460 7.456 1.00 0.00 C ATOM 0 H VAL A 39 8.392 0.635 8.215 1.00 0.00 H new ATOM 0 HA VAL A 39 9.613 2.381 6.443 1.00 0.00 H new ATOM 0 HB VAL A 39 9.430 -0.609 6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.319 -0.700 5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.846 -0.040 4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.166 1.053 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.747 -0.388 7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.618 1.382 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.588 0.500 8.436 1.00 0.00 H new ATOM 562 N PHE A 40 7.145 0.700 5.083 1.00 0.00 N ATOM 563 CA PHE A 40 6.245 0.668 3.942 1.00 0.00 C ATOM 564 C PHE A 40 5.412 1.949 3.865 1.00 0.00 C ATOM 565 O PHE A 40 5.531 2.715 2.909 1.00 0.00 O ATOM 566 CB PHE A 40 5.308 -0.524 4.144 1.00 0.00 C ATOM 567 CG PHE A 40 4.179 -0.609 3.115 1.00 0.00 C ATOM 568 CD1 PHE A 40 4.405 -1.184 1.904 1.00 0.00 C ATOM 569 CD2 PHE A 40 2.949 -0.111 3.412 1.00 0.00 C ATOM 570 CE1 PHE A 40 3.357 -1.264 0.949 1.00 0.00 C ATOM 571 CE2 PHE A 40 1.902 -0.190 2.457 1.00 0.00 C ATOM 572 CZ PHE A 40 2.128 -0.765 1.246 1.00 0.00 C ATOM 0 H PHE A 40 6.932 0.020 5.813 1.00 0.00 H new ATOM 0 HA PHE A 40 6.818 0.583 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.892 -1.443 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.873 -0.466 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.382 -1.580 1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.769 0.345 4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.536 -1.721 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.926 0.207 2.692 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.331 -0.825 0.520 1.00 0.00 H new ATOM 582 N ALA A 41 4.587 2.143 4.883 1.00 0.00 N ATOM 583 CA ALA A 41 3.735 3.318 4.943 1.00 0.00 C ATOM 584 C ALA A 41 4.578 4.569 4.685 1.00 0.00 C ATOM 585 O ALA A 41 4.051 5.606 4.286 1.00 0.00 O ATOM 586 CB ALA A 41 3.022 3.364 6.295 1.00 0.00 C ATOM 0 H ALA A 41 4.490 1.506 5.673 1.00 0.00 H new ATOM 0 HA ALA A 41 2.967 3.274 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.383 4.246 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.413 2.468 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.761 3.411 7.095 1.00 0.00 H new ATOM 592 N ARG A 42 5.874 4.429 4.924 1.00 0.00 N ATOM 593 CA ARG A 42 6.795 5.535 4.723 1.00 0.00 C ATOM 594 C ARG A 42 7.079 5.725 3.232 1.00 0.00 C ATOM 595 O ARG A 42 7.263 6.850 2.770 1.00 0.00 O ATOM 596 CB ARG A 42 8.114 5.293 5.459 1.00 0.00 C ATOM 597 CG ARG A 42 9.004 6.537 5.413 1.00 0.00 C ATOM 598 CD ARG A 42 8.239 7.776 5.883 1.00 0.00 C ATOM 599 NE ARG A 42 9.101 8.601 6.758 1.00 0.00 N ATOM 600 CZ ARG A 42 8.651 9.599 7.531 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.346 9.902 7.541 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.506 10.294 8.293 1.00 0.00 N ATOM 0 H ARG A 42 6.308 3.567 5.255 1.00 0.00 H new ATOM 0 HA ARG A 42 6.327 6.434 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.912 5.024 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.637 4.450 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.880 6.385 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.366 6.692 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.914 8.361 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.340 7.476 6.422 1.00 0.00 H new ATOM 0 HE ARG A 42 10.100 8.397 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.695 9.373 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.003 10.662 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.500 10.064 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.163 11.054 8.881 1.00 0.00 H new ATOM 616 N VAL A 43 7.104 4.608 2.520 1.00 0.00 N ATOM 617 CA VAL A 43 7.362 4.637 1.090 1.00 0.00 C ATOM 618 C VAL A 43 6.042 4.471 0.335 1.00 0.00 C ATOM 619 O VAL A 43 5.995 4.636 -0.884 1.00 0.00 O ATOM 620 CB VAL A 43 8.399 3.573 0.723 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.653 3.709 1.589 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.805 2.168 0.834 1.00 0.00 C ATOM 0 H VAL A 43 6.950 3.677 2.907 1.00 0.00 H new ATOM 0 HA VAL A 43 7.785 5.598 0.798 1.00 0.00 H new ATOM 0 HB VAL A 43 8.690 3.732 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.374 2.941 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.094 4.694 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.385 3.589 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.562 1.431 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.472 1.993 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.956 2.077 0.156 1.00 0.00 H new ATOM 632 N ALA A 44 5.002 4.147 1.089 1.00 0.00 N ATOM 633 CA ALA A 44 3.685 3.957 0.506 1.00 0.00 C ATOM 634 C ALA A 44 3.024 5.320 0.293 1.00 0.00 C ATOM 635 O ALA A 44 2.650 5.665 -0.827 1.00 0.00 O ATOM 636 CB ALA A 44 2.855 3.041 1.407 1.00 0.00 C ATOM 0 H ALA A 44 5.045 4.011 2.099 1.00 0.00 H new ATOM 0 HA ALA A 44 3.763 3.473 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.867 2.898 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.353 2.076 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.753 3.495 2.393 1.00 0.00 H new ATOM 642 N PHE A 45 2.901 6.059 1.386 1.00 0.00 N ATOM 643 CA PHE A 45 2.293 7.377 1.333 1.00 0.00 C ATOM 644 C PHE A 45 2.875 8.294 2.412 1.00 0.00 C ATOM 645 O PHE A 45 2.191 9.189 2.905 1.00 0.00 O ATOM 646 CB PHE A 45 0.797 7.190 1.593 1.00 0.00 C ATOM 647 CG PHE A 45 0.476 6.123 2.642 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.645 4.806 2.346 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.022 6.490 3.870 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.348 3.815 3.319 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.275 5.500 4.843 1.00 0.00 C ATOM 652 CZ PHE A 45 -0.106 4.183 4.547 1.00 0.00 C ATOM 0 H PHE A 45 3.212 5.770 2.313 1.00 0.00 H new ATOM 0 HA PHE A 45 2.484 7.836 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.373 8.141 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.307 6.924 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.005 4.514 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.113 7.535 4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.483 2.770 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.635 5.792 5.818 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.332 3.430 5.287 1.00 0.00 H new ATOM 662 N ASN A 46 4.131 8.038 2.745 1.00 0.00 N ATOM 663 CA ASN A 46 4.813 8.828 3.756 1.00 0.00 C ATOM 664 C ASN A 46 3.946 8.896 5.015 1.00 0.00 C ATOM 665 O ASN A 46 3.468 9.966 5.388 1.00 0.00 O ATOM 666 CB ASN A 46 5.050 10.259 3.268 1.00 0.00 C ATOM 667 CG ASN A 46 5.920 11.038 4.257 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.462 11.922 4.963 1.00 0.00 O ATOM 669 ND2 ASN A 46 7.195 10.663 4.269 1.00 0.00 N ATOM 0 H ASN A 46 4.695 7.295 2.333 1.00 0.00 H new ATOM 0 HA ASN A 46 5.772 8.354 3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.533 10.239 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.094 10.767 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.856 11.123 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.513 9.915 3.652 1.00 0.00 H new ATOM 676 N ARG A 47 3.770 7.738 5.636 1.00 0.00 N ATOM 677 CA ARG A 47 2.969 7.652 6.845 1.00 0.00 C ATOM 678 C ARG A 47 3.669 6.774 7.884 1.00 0.00 C ATOM 679 O ARG A 47 4.715 6.189 7.604 1.00 0.00 O ATOM 680 CB ARG A 47 1.584 7.074 6.549 1.00 0.00 C ATOM 681 CG ARG A 47 0.547 8.187 6.390 1.00 0.00 C ATOM 682 CD ARG A 47 0.370 8.962 7.698 1.00 0.00 C ATOM 683 NE ARG A 47 -0.856 9.788 7.636 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.949 10.946 6.969 1.00 0.00 C ATOM 685 NH1 ARG A 47 0.112 11.423 6.304 1.00 0.00 N ATOM 686 NH2 ARG A 47 -2.103 11.628 6.968 1.00 0.00 N ATOM 0 H ARG A 47 4.168 6.852 5.324 1.00 0.00 H new ATOM 0 HA ARG A 47 2.852 8.662 7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.623 6.476 5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.285 6.406 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.858 8.869 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.408 7.759 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.308 8.268 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.238 9.598 7.874 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.682 9.455 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.990 10.904 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.041 12.305 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.910 11.265 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.174 12.510 6.460 1.00 0.00 H new ATOM 700 N THR A 48 3.065 6.710 9.061 1.00 0.00 N ATOM 701 CA THR A 48 3.618 5.913 10.143 1.00 0.00 C ATOM 702 C THR A 48 2.910 4.559 10.224 1.00 0.00 C ATOM 703 O THR A 48 2.190 4.175 9.304 1.00 0.00 O ATOM 704 CB THR A 48 3.515 6.730 11.433 1.00 0.00 C ATOM 705 OG1 THR A 48 2.177 7.221 11.427 1.00 0.00 O ATOM 706 CG2 THR A 48 4.375 7.995 11.394 1.00 0.00 C ATOM 0 H THR A 48 2.198 7.197 9.289 1.00 0.00 H new ATOM 0 HA THR A 48 4.669 5.685 9.968 1.00 0.00 H new ATOM 0 HB THR A 48 3.815 6.112 12.279 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.023 7.761 12.230 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.266 8.538 12.333 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.420 7.720 11.253 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.052 8.629 10.568 1.00 0.00 H new ATOM 714 N GLN A 49 3.139 3.873 11.334 1.00 0.00 N ATOM 715 CA GLN A 49 2.532 2.570 11.547 1.00 0.00 C ATOM 716 C GLN A 49 1.210 2.717 12.303 1.00 0.00 C ATOM 717 O GLN A 49 0.196 2.145 11.906 1.00 0.00 O ATOM 718 CB GLN A 49 3.488 1.635 12.291 1.00 0.00 C ATOM 719 CG GLN A 49 2.817 0.293 12.593 1.00 0.00 C ATOM 720 CD GLN A 49 3.573 -0.463 13.688 1.00 0.00 C ATOM 721 OE1 GLN A 49 3.752 0.013 14.797 1.00 0.00 O ATOM 722 NE2 GLN A 49 4.006 -1.664 13.315 1.00 0.00 N ATOM 0 H GLN A 49 3.736 4.195 12.095 1.00 0.00 H new ATOM 0 HA GLN A 49 2.324 2.125 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.383 1.471 11.691 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.809 2.103 13.222 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.786 0.460 12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.781 -0.312 11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.822 -2.002 12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.522 -2.247 13.974 1.00 0.00 H new ATOM 731 N GLY A 50 1.263 3.488 13.379 1.00 0.00 N ATOM 732 CA GLY A 50 0.083 3.718 14.195 1.00 0.00 C ATOM 733 C GLY A 50 -1.119 4.096 13.326 1.00 0.00 C ATOM 734 O GLY A 50 -2.265 3.879 13.716 1.00 0.00 O ATOM 0 H GLY A 50 2.105 3.962 13.705 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.147 2.821 14.770 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.282 4.514 14.913 1.00 0.00 H new ATOM 738 N LEU A 51 -0.815 4.656 12.164 1.00 0.00 N ATOM 739 CA LEU A 51 -1.856 5.066 11.236 1.00 0.00 C ATOM 740 C LEU A 51 -2.196 3.898 10.309 1.00 0.00 C ATOM 741 O LEU A 51 -3.316 3.390 10.330 1.00 0.00 O ATOM 742 CB LEU A 51 -1.441 6.339 10.495 1.00 0.00 C ATOM 743 CG LEU A 51 -2.345 6.765 9.336 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.930 6.075 8.035 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.818 6.519 9.671 1.00 0.00 C ATOM 0 H LEU A 51 0.137 4.835 11.844 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.768 5.321 11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.397 7.156 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.431 6.199 10.109 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.224 7.838 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.588 6.395 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.902 6.343 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.004 4.994 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.439 6.830 8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.975 5.458 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.091 7.094 10.556 1.00 0.00 H new ATOM 757 N LEU A 52 -1.208 3.505 9.517 1.00 0.00 N ATOM 758 CA LEU A 52 -1.389 2.406 8.584 1.00 0.00 C ATOM 759 C LEU A 52 -2.107 1.255 9.292 1.00 0.00 C ATOM 760 O LEU A 52 -2.900 0.542 8.678 1.00 0.00 O ATOM 761 CB LEU A 52 -0.050 2.005 7.963 1.00 0.00 C ATOM 762 CG LEU A 52 -0.022 0.655 7.242 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.817 0.714 5.937 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.416 0.184 7.017 1.00 0.00 C ATOM 0 H LEU A 52 -0.280 3.928 9.503 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.022 2.713 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.246 2.779 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.703 1.989 8.751 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.507 -0.084 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.781 -0.258 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.853 0.973 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.384 1.469 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.408 -0.777 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.948 0.916 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.919 0.077 7.978 1.00 0.00 H new ATOM 776 N SER A 53 -1.805 1.110 10.574 1.00 0.00 N ATOM 777 CA SER A 53 -2.412 0.058 11.371 1.00 0.00 C ATOM 778 C SER A 53 -3.926 0.267 11.448 1.00 0.00 C ATOM 779 O SER A 53 -4.697 -0.608 11.058 1.00 0.00 O ATOM 780 CB SER A 53 -1.810 0.015 12.777 1.00 0.00 C ATOM 781 OG SER A 53 -2.183 -1.165 13.482 1.00 0.00 O ATOM 0 H SER A 53 -1.148 1.704 11.080 1.00 0.00 H new ATOM 0 HA SER A 53 -2.208 -0.898 10.888 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.723 0.068 12.708 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.136 0.891 13.338 1.00 0.00 H new ATOM 0 HG SER A 53 -1.471 -1.410 14.109 1.00 0.00 H new ATOM 787 N GLU A 54 -4.305 1.431 11.955 1.00 0.00 N ATOM 788 CA GLU A 54 -5.713 1.766 12.088 1.00 0.00 C ATOM 789 C GLU A 54 -6.428 1.595 10.747 1.00 0.00 C ATOM 790 O GLU A 54 -7.619 1.288 10.709 1.00 0.00 O ATOM 791 CB GLU A 54 -5.889 3.187 12.627 1.00 0.00 C ATOM 792 CG GLU A 54 -6.077 4.187 11.484 1.00 0.00 C ATOM 793 CD GLU A 54 -5.783 5.614 11.951 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.841 5.764 12.759 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.507 6.522 11.489 1.00 0.00 O ATOM 0 H GLU A 54 -3.662 2.154 12.279 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.164 1.082 12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.752 3.223 13.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.018 3.466 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.416 3.928 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.098 4.127 11.107 1.00 0.00 H new ATOM 802 N ILE A 55 -5.672 1.801 9.678 1.00 0.00 N ATOM 803 CA ILE A 55 -6.219 1.673 8.338 1.00 0.00 C ATOM 804 C ILE A 55 -6.425 0.192 8.015 1.00 0.00 C ATOM 805 O ILE A 55 -7.449 -0.187 7.448 1.00 0.00 O ATOM 806 CB ILE A 55 -5.336 2.406 7.327 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.281 3.905 7.632 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.797 2.129 5.895 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.310 4.621 6.691 1.00 0.00 C ATOM 0 H ILE A 55 -4.685 2.056 9.713 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.197 2.151 8.278 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.320 2.022 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.277 4.337 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.971 4.058 8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.153 2.662 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.742 1.059 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.825 2.469 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.290 5.684 6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.311 4.203 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.637 4.486 5.660 1.00 0.00 H new ATOM 821 N LEU A 56 -5.435 -0.606 8.389 1.00 0.00 N ATOM 822 CA LEU A 56 -5.495 -2.037 8.146 1.00 0.00 C ATOM 823 C LEU A 56 -6.442 -2.683 9.159 1.00 0.00 C ATOM 824 O LEU A 56 -6.851 -3.831 8.988 1.00 0.00 O ATOM 825 CB LEU A 56 -4.089 -2.640 8.147 1.00 0.00 C ATOM 826 CG LEU A 56 -3.101 -2.040 7.145 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.656 -2.274 7.592 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.358 -2.574 5.734 1.00 0.00 C ATOM 0 H LEU A 56 -4.587 -0.288 8.858 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.902 -2.238 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.670 -2.534 9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.173 -3.708 7.949 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.258 -0.962 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.974 -1.838 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.495 -1.806 8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.468 -3.345 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.642 -2.132 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.245 -3.658 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.370 -2.313 5.425 1.00 0.00 H new ATOM 840 N ARG A 57 -6.764 -1.918 10.192 1.00 0.00 N ATOM 841 CA ARG A 57 -7.655 -2.402 11.232 1.00 0.00 C ATOM 842 C ARG A 57 -9.105 -2.046 10.897 1.00 0.00 C ATOM 843 O ARG A 57 -9.995 -2.888 11.005 1.00 0.00 O ATOM 844 CB ARG A 57 -7.291 -1.801 12.592 1.00 0.00 C ATOM 845 CG ARG A 57 -6.156 -2.587 13.252 1.00 0.00 C ATOM 846 CD ARG A 57 -6.085 -2.292 14.752 1.00 0.00 C ATOM 847 NE ARG A 57 -4.675 -2.133 15.170 1.00 0.00 N ATOM 848 CZ ARG A 57 -4.294 -1.647 16.360 1.00 0.00 C ATOM 849 NH1 ARG A 57 -5.217 -1.271 17.256 1.00 0.00 N ATOM 850 NH2 ARG A 57 -2.992 -1.538 16.653 1.00 0.00 N ATOM 0 H ARG A 57 -6.424 -0.967 10.331 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.546 -3.485 11.285 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.992 -0.760 12.466 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.166 -1.805 13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.309 -3.655 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.208 -2.328 12.781 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.645 -1.385 14.980 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.550 -3.103 15.313 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.947 -2.410 14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.209 -1.355 17.032 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.928 -0.901 18.162 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.290 -1.825 15.971 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.702 -1.168 17.558 1.00 0.00 H new ATOM 864 N LYS A 58 -9.297 -0.797 10.497 1.00 0.00 N ATOM 865 CA LYS A 58 -10.623 -0.320 10.145 1.00 0.00 C ATOM 866 C LYS A 58 -10.918 -0.675 8.687 1.00 0.00 C ATOM 867 O LYS A 58 -12.049 -1.017 8.344 1.00 0.00 O ATOM 868 CB LYS A 58 -10.755 1.173 10.453 1.00 0.00 C ATOM 869 CG LYS A 58 -10.596 1.440 11.952 1.00 0.00 C ATOM 870 CD LYS A 58 -10.061 2.851 12.204 1.00 0.00 C ATOM 871 CE LYS A 58 -9.649 3.028 13.666 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.693 3.764 14.414 1.00 0.00 N ATOM 0 H LYS A 58 -8.556 -0.101 10.409 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.379 -0.816 10.753 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.000 1.730 9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.728 1.533 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.557 1.317 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.916 0.707 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.205 3.040 11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.825 3.585 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.485 2.053 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.704 3.569 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.397 3.875 15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.830 4.702 13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.586 3.233 14.377 1.00 0.00 H new ATOM 886 N GLU A 59 -9.881 -0.582 7.867 1.00 0.00 N ATOM 887 CA GLU A 59 -10.015 -0.890 6.453 1.00 0.00 C ATOM 888 C GLU A 59 -11.075 0.009 5.813 1.00 0.00 C ATOM 889 O GLU A 59 -11.938 -0.469 5.078 1.00 0.00 O ATOM 890 CB GLU A 59 -10.350 -2.368 6.243 1.00 0.00 C ATOM 891 CG GLU A 59 -9.151 -3.255 6.582 1.00 0.00 C ATOM 892 CD GLU A 59 -9.310 -4.649 5.971 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.472 -5.103 5.888 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.266 -5.229 5.602 1.00 0.00 O ATOM 0 H GLU A 59 -8.945 -0.298 8.155 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.059 -0.696 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.200 -2.644 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.648 -2.534 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.236 -2.793 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.050 -3.338 7.664 1.00 0.00 H new ATOM 901 N GLU A 60 -10.975 1.295 6.115 1.00 0.00 N ATOM 902 CA GLU A 60 -11.914 2.265 5.577 1.00 0.00 C ATOM 903 C GLU A 60 -12.100 2.048 4.074 1.00 0.00 C ATOM 904 O GLU A 60 -11.229 2.401 3.280 1.00 0.00 O ATOM 905 CB GLU A 60 -11.455 3.695 5.872 1.00 0.00 C ATOM 906 CG GLU A 60 -12.440 4.407 6.801 1.00 0.00 C ATOM 907 CD GLU A 60 -12.791 5.797 6.267 1.00 0.00 C ATOM 908 OE1 GLU A 60 -11.934 6.695 6.417 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.907 5.930 5.721 1.00 0.00 O ATOM 0 H GLU A 60 -10.258 1.688 6.725 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.877 2.119 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.466 3.676 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.363 4.251 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.348 3.812 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.007 4.495 7.797 1.00 0.00 H new ATOM 916 N ASP A 61 -13.240 1.469 3.729 1.00 0.00 N ATOM 917 CA ASP A 61 -13.551 1.201 2.335 1.00 0.00 C ATOM 918 C ASP A 61 -13.189 2.425 1.491 1.00 0.00 C ATOM 919 O ASP A 61 -13.452 3.558 1.890 1.00 0.00 O ATOM 920 CB ASP A 61 -15.044 0.923 2.148 1.00 0.00 C ATOM 921 CG ASP A 61 -15.693 0.099 3.262 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.912 0.683 4.345 1.00 0.00 O ATOM 923 OD2 ASP A 61 -15.956 -1.095 3.005 1.00 0.00 O ATOM 0 H ASP A 61 -13.960 1.178 4.390 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.979 0.327 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.568 1.875 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.185 0.401 1.201 1.00 0.00 H new ATOM 928 N PRO A 62 -12.575 2.147 0.310 1.00 0.00 N ATOM 929 CA PRO A 62 -12.174 3.212 -0.593 1.00 0.00 C ATOM 930 C PRO A 62 -13.385 3.799 -1.321 1.00 0.00 C ATOM 931 O PRO A 62 -13.242 4.708 -2.138 1.00 0.00 O ATOM 932 CB PRO A 62 -11.168 2.571 -1.535 1.00 0.00 C ATOM 933 CG PRO A 62 -11.389 1.071 -1.423 1.00 0.00 C ATOM 934 CD PRO A 62 -12.247 0.817 -0.195 1.00 0.00 C ATOM 0 HA PRO A 62 -11.728 4.059 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.319 2.913 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.148 2.837 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.881 0.690 -2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.435 0.550 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.147 0.257 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.708 0.232 0.550 1.00 0.00 H new ATOM 942 N ARG A 63 -14.549 3.255 -0.999 1.00 0.00 N ATOM 943 CA ARG A 63 -15.784 3.714 -1.612 1.00 0.00 C ATOM 944 C ARG A 63 -16.462 4.758 -0.723 1.00 0.00 C ATOM 945 O ARG A 63 -17.194 5.616 -1.214 1.00 0.00 O ATOM 946 CB ARG A 63 -16.749 2.549 -1.845 1.00 0.00 C ATOM 947 CG ARG A 63 -16.216 1.603 -2.923 1.00 0.00 C ATOM 948 CD ARG A 63 -16.716 2.015 -4.309 1.00 0.00 C ATOM 949 NE ARG A 63 -17.264 0.837 -5.020 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.726 0.866 -6.277 1.00 0.00 C ATOM 951 NH1 ARG A 63 -17.709 2.013 -6.971 1.00 0.00 N ATOM 952 NH2 ARG A 63 -18.204 -0.251 -6.841 1.00 0.00 N ATOM 0 H ARG A 63 -14.663 2.501 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.531 4.160 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.894 2.001 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.724 2.934 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.126 1.607 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.533 0.583 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.484 2.783 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.899 2.450 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.291 -0.052 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.344 2.863 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.061 2.035 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.216 -1.124 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.556 -0.229 -7.798 1.00 0.00 H new ATOM 966 N THR A 64 -16.196 4.651 0.571 1.00 0.00 N ATOM 967 CA THR A 64 -16.771 5.575 1.533 1.00 0.00 C ATOM 968 C THR A 64 -15.674 6.425 2.177 1.00 0.00 C ATOM 969 O THR A 64 -15.958 7.459 2.780 1.00 0.00 O ATOM 970 CB THR A 64 -17.582 4.762 2.543 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.628 3.877 3.123 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.593 3.832 1.869 1.00 0.00 C ATOM 0 H THR A 64 -15.589 3.938 0.975 1.00 0.00 H new ATOM 0 HA THR A 64 -17.444 6.282 1.049 1.00 0.00 H new ATOM 0 HB THR A 64 -18.106 5.440 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.069 3.313 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.142 3.278 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.291 4.422 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.067 3.132 1.220 1.00 0.00 H new ATOM 980 N ALA A 65 -14.443 5.958 2.028 1.00 0.00 N ATOM 981 CA ALA A 65 -13.302 6.662 2.589 1.00 0.00 C ATOM 982 C ALA A 65 -13.397 8.145 2.228 1.00 0.00 C ATOM 983 O ALA A 65 -14.273 8.548 1.464 1.00 0.00 O ATOM 984 CB ALA A 65 -12.008 6.020 2.085 1.00 0.00 C ATOM 0 H ALA A 65 -14.211 5.101 1.527 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.300 6.587 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.152 6.548 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.977 4.975 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.972 6.079 0.997 1.00 0.00 H new ATOM 990 N SER A 66 -12.481 8.919 2.793 1.00 0.00 N ATOM 991 CA SER A 66 -12.450 10.349 2.541 1.00 0.00 C ATOM 992 C SER A 66 -11.152 10.725 1.823 1.00 0.00 C ATOM 993 O SER A 66 -10.139 10.042 1.965 1.00 0.00 O ATOM 994 CB SER A 66 -12.586 11.142 3.842 1.00 0.00 C ATOM 995 OG SER A 66 -11.328 11.337 4.482 1.00 0.00 O ATOM 0 H SER A 66 -11.755 8.582 3.425 1.00 0.00 H new ATOM 0 HA SER A 66 -13.297 10.602 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.039 12.111 3.631 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.259 10.616 4.519 1.00 0.00 H new ATOM 0 HG SER A 66 -11.457 11.849 5.308 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.225 11.812 1.068 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.068 12.287 0.328 1.00 0.00 C ATOM 1003 C GLN A 67 -8.795 12.102 1.156 1.00 0.00 C ATOM 1004 O GLN A 67 -7.771 11.662 0.637 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.245 13.749 -0.086 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.426 14.648 1.139 1.00 0.00 C ATOM 1007 CD GLN A 67 -10.865 16.055 0.727 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.457 16.587 -0.292 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -11.718 16.624 1.573 1.00 0.00 N ATOM 0 H GLN A 67 -12.067 12.377 0.953 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.975 11.694 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.376 14.077 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.111 13.843 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.169 14.213 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.490 14.703 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.019 16.122 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.071 17.562 1.387 1.00 0.00 H new ATOM 1018 N SER A 68 -8.902 12.447 2.431 1.00 0.00 N ATOM 1019 CA SER A 68 -7.772 12.325 3.336 1.00 0.00 C ATOM 1020 C SER A 68 -7.203 10.906 3.275 1.00 0.00 C ATOM 1021 O SER A 68 -6.019 10.719 2.998 1.00 0.00 O ATOM 1022 CB SER A 68 -8.175 12.673 4.770 1.00 0.00 C ATOM 1023 OG SER A 68 -7.438 13.782 5.278 1.00 0.00 O ATOM 0 H SER A 68 -9.754 12.811 2.858 1.00 0.00 H new ATOM 0 HA SER A 68 -7.004 13.032 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.240 12.901 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.015 11.807 5.412 1.00 0.00 H new ATOM 0 HG SER A 68 -7.726 13.974 6.195 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.074 9.942 3.537 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.673 8.545 3.515 1.00 0.00 C ATOM 1031 C LEU A 69 -7.386 8.124 2.072 1.00 0.00 C ATOM 1032 O LEU A 69 -6.323 7.578 1.781 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.722 7.676 4.212 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.191 6.440 4.941 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.229 5.896 5.925 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.730 5.373 3.946 1.00 0.00 C ATOM 0 H LEU A 69 -9.055 10.101 3.765 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.750 8.404 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.258 8.295 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.448 7.350 3.467 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.319 6.735 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.827 5.018 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.467 6.662 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.134 5.620 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.357 4.505 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.569 5.074 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.935 5.778 3.320 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.352 8.395 1.207 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.217 8.051 -0.198 1.00 0.00 C ATOM 1050 C LEU A 70 -6.829 8.468 -0.689 1.00 0.00 C ATOM 1051 O LEU A 70 -6.163 7.712 -1.395 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.363 8.656 -1.011 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.645 7.823 -1.086 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.884 8.719 -1.063 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.627 6.899 -2.305 1.00 0.00 C ATOM 0 H LEU A 70 -9.232 8.849 1.452 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.295 6.972 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.610 9.629 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.008 8.833 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.692 7.188 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.781 8.102 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.897 9.298 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.858 9.397 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.549 6.318 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.545 7.496 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.775 6.223 -2.237 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.433 9.669 -0.295 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.136 10.195 -0.686 1.00 0.00 C ATOM 1069 C VAL A 71 -4.056 9.156 -0.380 1.00 0.00 C ATOM 1070 O VAL A 71 -3.133 8.964 -1.170 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.887 11.538 0.004 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.388 11.826 0.118 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.609 12.672 -0.727 1.00 0.00 C ATOM 0 H VAL A 71 -6.987 10.293 0.291 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.108 10.386 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.294 11.477 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.238 12.786 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.910 11.039 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.947 11.858 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.416 13.615 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.245 12.733 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.681 12.476 -0.733 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.206 8.513 0.768 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.255 7.498 1.188 1.00 0.00 C ATOM 1085 C ASN A 72 -3.505 6.212 0.398 1.00 0.00 C ATOM 1086 O ASN A 72 -2.568 5.601 -0.113 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.413 7.177 2.676 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.929 8.342 3.542 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.830 8.849 3.389 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.808 8.735 4.459 1.00 0.00 N ATOM 0 H ASN A 72 -4.972 8.675 1.421 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.251 7.881 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.459 6.965 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.847 6.278 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.579 9.505 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.711 8.267 4.533 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.775 5.840 0.322 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.160 4.638 -0.398 1.00 0.00 C ATOM 1099 C LEU A 73 -4.597 4.697 -1.819 1.00 0.00 C ATOM 1100 O LEU A 73 -3.971 3.745 -2.283 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.677 4.445 -0.344 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.311 4.496 1.047 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.828 4.319 0.965 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.664 3.473 1.983 1.00 0.00 C ATOM 0 H LEU A 73 -5.550 6.350 0.747 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.732 3.755 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.143 5.212 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.917 3.483 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.125 5.483 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.254 4.359 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.255 5.117 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.058 3.355 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.133 3.530 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.798 2.471 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.599 3.688 2.077 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.841 5.824 -2.472 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.366 6.020 -3.831 1.00 0.00 C ATOM 1118 C ARG A 74 -2.844 5.873 -3.888 1.00 0.00 C ATOM 1119 O ARG A 74 -2.316 5.188 -4.762 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.758 7.402 -4.358 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.177 7.388 -4.930 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.753 8.803 -5.002 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.617 8.938 -6.197 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.145 10.096 -6.615 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -7.901 11.227 -5.938 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -8.917 10.124 -7.710 1.00 0.00 N ATOM 0 H ARG A 74 -5.362 6.611 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.832 5.259 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.694 8.134 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.054 7.714 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.167 6.944 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.817 6.762 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.328 9.017 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.944 9.532 -5.044 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.823 8.097 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.313 11.206 -5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.303 12.109 -6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.103 9.264 -8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.319 11.006 -8.028 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.183 6.527 -2.944 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.732 6.478 -2.876 1.00 0.00 C ATOM 1142 C ALA A 75 -0.281 5.022 -2.747 1.00 0.00 C ATOM 1143 O ALA A 75 0.532 4.547 -3.538 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.246 7.344 -1.713 1.00 0.00 C ATOM 0 H ALA A 75 -2.625 7.093 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.291 6.880 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.842 7.307 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.567 8.374 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.666 6.969 -0.780 1.00 0.00 H new ATOM 1150 N MET A 76 -0.829 4.353 -1.743 1.00 0.00 N ATOM 1151 CA MET A 76 -0.493 2.960 -1.500 1.00 0.00 C ATOM 1152 C MET A 76 -0.598 2.138 -2.786 1.00 0.00 C ATOM 1153 O MET A 76 0.405 1.627 -3.283 1.00 0.00 O ATOM 1154 CB MET A 76 -1.441 2.383 -0.446 1.00 0.00 C ATOM 1155 CG MET A 76 -1.050 2.849 0.957 1.00 0.00 C ATOM 1156 SD MET A 76 -2.173 2.163 2.163 1.00 0.00 S ATOM 1157 CE MET A 76 -3.143 3.613 2.543 1.00 0.00 C ATOM 0 H MET A 76 -1.503 4.750 -1.088 1.00 0.00 H new ATOM 0 HA MET A 76 0.536 2.911 -1.143 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.464 2.691 -0.664 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.420 1.294 -0.490 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.029 2.539 1.181 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.071 3.938 1.007 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.910 3.356 3.274 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.495 4.387 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.617 3.982 1.634 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.820 2.036 -3.288 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.068 1.285 -4.506 1.00 0.00 C ATOM 1169 C GLN A 77 -1.116 1.741 -5.614 1.00 0.00 C ATOM 1170 O GLN A 77 -0.704 0.940 -6.452 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.527 1.421 -4.947 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.774 0.678 -6.261 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.562 -0.612 -6.022 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.515 -0.925 -6.716 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.113 -1.339 -5.003 1.00 0.00 N ATOM 0 H GLN A 77 -2.649 2.461 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.881 0.230 -4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.183 1.025 -4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.777 2.475 -5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.323 1.321 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.821 0.444 -6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.309 -1.018 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.572 -2.217 -4.762 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.794 3.026 -5.582 1.00 0.00 N ATOM 1185 CA ASN A 78 0.101 3.598 -6.573 1.00 0.00 C ATOM 1186 C ASN A 78 1.517 3.067 -6.341 1.00 0.00 C ATOM 1187 O ASN A 78 2.259 2.830 -7.293 1.00 0.00 O ATOM 1188 CB ASN A 78 0.144 5.123 -6.462 1.00 0.00 C ATOM 1189 CG ASN A 78 0.858 5.741 -7.666 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.998 5.135 -8.715 1.00 0.00 O ATOM 1191 ND2 ASN A 78 1.301 6.977 -7.456 1.00 0.00 N ATOM 0 H ASN A 78 -1.137 3.687 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.267 3.319 -7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.871 5.515 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.657 5.410 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.792 7.476 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.150 7.426 -6.553 1.00 0.00 H new ATOM 1198 N PHE A 79 1.850 2.897 -5.070 1.00 0.00 N ATOM 1199 CA PHE A 79 3.164 2.399 -4.700 1.00 0.00 C ATOM 1200 C PHE A 79 3.249 0.883 -4.890 1.00 0.00 C ATOM 1201 O PHE A 79 4.320 0.349 -5.176 1.00 0.00 O ATOM 1202 CB PHE A 79 3.367 2.728 -3.220 1.00 0.00 C ATOM 1203 CG PHE A 79 4.555 2.007 -2.580 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.824 2.416 -2.849 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.343 0.957 -1.742 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.927 1.747 -2.254 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.445 0.288 -1.148 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.714 0.698 -1.416 1.00 0.00 C ATOM 0 H PHE A 79 1.232 3.095 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 79 3.927 2.860 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.508 3.804 -3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.460 2.469 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.993 3.249 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.335 0.632 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.935 2.072 -2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.276 -0.546 -0.483 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.553 0.190 -0.963 1.00 0.00 H new ATOM 1218 N LEU A 80 2.107 0.233 -4.723 1.00 0.00 N ATOM 1219 CA LEU A 80 2.039 -1.211 -4.872 1.00 0.00 C ATOM 1220 C LEU A 80 2.108 -1.569 -6.358 1.00 0.00 C ATOM 1221 O LEU A 80 2.354 -2.722 -6.711 1.00 0.00 O ATOM 1222 CB LEU A 80 0.801 -1.765 -4.163 1.00 0.00 C ATOM 1223 CG LEU A 80 0.745 -1.554 -2.649 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.665 -1.807 -2.112 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.792 -2.412 -1.936 1.00 0.00 C ATOM 0 H LEU A 80 1.221 0.680 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 80 2.893 -1.685 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.083 -1.307 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.740 -2.835 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 80 0.987 -0.512 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.677 -1.650 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.364 -1.119 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.960 -2.833 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.730 -2.243 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.606 -3.465 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.787 -2.141 -2.290 1.00 0.00 H new ATOM 1237 N ASN A 81 1.888 -0.561 -7.189 1.00 0.00 N ATOM 1238 CA ASN A 81 1.923 -0.756 -8.628 1.00 0.00 C ATOM 1239 C ASN A 81 3.373 -0.691 -9.112 1.00 0.00 C ATOM 1240 O ASN A 81 3.705 -1.233 -10.165 1.00 0.00 O ATOM 1241 CB ASN A 81 1.134 0.338 -9.351 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.371 0.085 -9.252 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.834 -1.042 -9.190 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -1.107 1.193 -9.239 1.00 0.00 N ATOM 0 H ASN A 81 1.685 0.394 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 81 1.479 -1.727 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.372 1.310 -8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.432 0.374 -10.399 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.123 1.130 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.655 2.106 -9.294 1.00 0.00 H new ATOM 1251 N LEU A 82 4.199 -0.023 -8.320 1.00 0.00 N ATOM 1252 CA LEU A 82 5.606 0.119 -8.654 1.00 0.00 C ATOM 1253 C LEU A 82 6.199 -1.261 -8.943 1.00 0.00 C ATOM 1254 O LEU A 82 5.594 -2.281 -8.617 1.00 0.00 O ATOM 1255 CB LEU A 82 6.343 0.888 -7.556 1.00 0.00 C ATOM 1256 CG LEU A 82 6.306 2.414 -7.665 1.00 0.00 C ATOM 1257 CD1 LEU A 82 6.857 3.068 -6.396 1.00 0.00 C ATOM 1258 CD2 LEU A 82 7.039 2.891 -8.920 1.00 0.00 C ATOM 0 H LEU A 82 3.921 0.426 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 82 5.724 0.713 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.920 0.602 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.385 0.569 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 82 5.266 2.725 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.819 4.152 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.255 2.764 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.890 2.754 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.998 3.979 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.079 2.569 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.563 2.466 -9.803 1.00 0.00 H new ATOM 1270 N PRO A 83 7.407 -1.248 -9.567 1.00 0.00 N ATOM 1271 CA PRO A 83 8.089 -2.486 -9.903 1.00 0.00 C ATOM 1272 C PRO A 83 8.701 -3.131 -8.658 1.00 0.00 C ATOM 1273 O PRO A 83 9.321 -2.450 -7.843 1.00 0.00 O ATOM 1274 CB PRO A 83 9.129 -2.094 -10.940 1.00 0.00 C ATOM 1275 CG PRO A 83 9.306 -0.590 -10.805 1.00 0.00 C ATOM 1276 CD PRO A 83 8.154 -0.059 -9.968 1.00 0.00 C ATOM 0 HA PRO A 83 7.413 -3.243 -10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.070 -2.615 -10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.799 -2.360 -11.944 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.260 -0.359 -10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.314 -0.117 -11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.516 0.492 -9.100 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.530 0.626 -10.543 1.00 0.00 H new ATOM 1284 N GLU A 84 8.505 -4.437 -8.549 1.00 0.00 N ATOM 1285 CA GLU A 84 9.029 -5.181 -7.417 1.00 0.00 C ATOM 1286 C GLU A 84 10.482 -4.784 -7.148 1.00 0.00 C ATOM 1287 O GLU A 84 10.878 -4.606 -5.997 1.00 0.00 O ATOM 1288 CB GLU A 84 8.906 -6.689 -7.647 1.00 0.00 C ATOM 1289 CG GLU A 84 9.378 -7.471 -6.420 1.00 0.00 C ATOM 1290 CD GLU A 84 8.879 -8.917 -6.466 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.882 -9.483 -7.580 1.00 0.00 O ATOM 1292 OE2 GLU A 84 8.506 -9.423 -5.386 1.00 0.00 O ATOM 0 H GLU A 84 7.990 -4.999 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 84 8.436 -4.932 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.869 -6.943 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.497 -6.977 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.467 -7.460 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.015 -6.986 -5.514 1.00 0.00 H new ATOM 1299 N VAL A 85 11.237 -4.657 -8.229 1.00 0.00 N ATOM 1300 CA VAL A 85 12.638 -4.285 -8.124 1.00 0.00 C ATOM 1301 C VAL A 85 12.750 -2.938 -7.406 1.00 0.00 C ATOM 1302 O VAL A 85 13.688 -2.715 -6.641 1.00 0.00 O ATOM 1303 CB VAL A 85 13.283 -4.278 -9.512 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.665 -5.353 -10.408 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.176 -2.896 -10.159 1.00 0.00 C ATOM 0 H VAL A 85 10.905 -4.805 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 85 13.185 -5.017 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 85 14.341 -4.510 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.141 -5.327 -11.388 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.816 -6.334 -9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.597 -5.165 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.642 -2.918 -11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.126 -2.622 -10.260 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.684 -2.161 -9.534 1.00 0.00 H new ATOM 1315 N GLU A 86 11.782 -2.076 -7.677 1.00 0.00 N ATOM 1316 CA GLU A 86 11.761 -0.758 -7.066 1.00 0.00 C ATOM 1317 C GLU A 86 11.421 -0.868 -5.579 1.00 0.00 C ATOM 1318 O GLU A 86 12.205 -0.452 -4.727 1.00 0.00 O ATOM 1319 CB GLU A 86 10.775 0.164 -7.787 1.00 0.00 C ATOM 1320 CG GLU A 86 11.496 1.043 -8.812 1.00 0.00 C ATOM 1321 CD GLU A 86 12.680 0.300 -9.434 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.437 -0.433 -10.417 1.00 0.00 O ATOM 1323 OE2 GLU A 86 13.802 0.483 -8.913 1.00 0.00 O ATOM 0 H GLU A 86 11.006 -2.264 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 86 12.754 -0.319 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.012 -0.433 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.262 0.793 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.799 1.343 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.847 1.956 -8.331 1.00 0.00 H new ATOM 1330 N ARG A 87 10.251 -1.430 -5.311 1.00 0.00 N ATOM 1331 CA ARG A 87 9.799 -1.599 -3.941 1.00 0.00 C ATOM 1332 C ARG A 87 10.892 -2.259 -3.098 1.00 0.00 C ATOM 1333 O ARG A 87 11.150 -1.839 -1.971 1.00 0.00 O ATOM 1334 CB ARG A 87 8.532 -2.456 -3.882 1.00 0.00 C ATOM 1335 CG ARG A 87 7.510 -1.997 -4.924 1.00 0.00 C ATOM 1336 CD ARG A 87 6.084 -2.316 -4.472 1.00 0.00 C ATOM 1337 NE ARG A 87 5.633 -3.588 -5.078 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.953 -4.801 -4.606 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.728 -4.913 -3.518 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.499 -5.901 -5.222 1.00 0.00 N ATOM 0 H ARG A 87 9.603 -1.774 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 87 9.575 -0.610 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.788 -3.502 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.094 -2.395 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.611 -0.924 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.711 -2.487 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.046 -2.388 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.413 -1.508 -4.762 1.00 0.00 H new ATOM 0 HE ARG A 87 5.041 -3.539 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.074 -4.075 -3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.972 -5.836 -3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.910 -5.815 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.743 -6.824 -4.863 1.00 0.00 H new ATOM 1354 N ASP A 88 11.505 -3.281 -3.677 1.00 0.00 N ATOM 1355 CA ASP A 88 12.564 -4.003 -2.994 1.00 0.00 C ATOM 1356 C ASP A 88 13.642 -3.014 -2.544 1.00 0.00 C ATOM 1357 O ASP A 88 14.066 -3.035 -1.390 1.00 0.00 O ATOM 1358 CB ASP A 88 13.221 -5.027 -3.922 1.00 0.00 C ATOM 1359 CG ASP A 88 12.613 -6.431 -3.869 1.00 0.00 C ATOM 1360 OD1 ASP A 88 11.547 -6.564 -3.229 1.00 0.00 O ATOM 1361 OD2 ASP A 88 13.228 -7.338 -4.469 1.00 0.00 O ATOM 0 H ASP A 88 11.288 -3.626 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 88 12.123 -4.519 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.159 -4.659 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.279 -5.096 -3.671 1.00 0.00 H new ATOM 1366 N ARG A 89 14.053 -2.171 -3.480 1.00 0.00 N ATOM 1367 CA ARG A 89 15.073 -1.176 -3.194 1.00 0.00 C ATOM 1368 C ARG A 89 14.514 -0.094 -2.268 1.00 0.00 C ATOM 1369 O ARG A 89 15.151 0.274 -1.282 1.00 0.00 O ATOM 1370 CB ARG A 89 15.582 -0.524 -4.481 1.00 0.00 C ATOM 1371 CG ARG A 89 17.075 -0.206 -4.382 1.00 0.00 C ATOM 1372 CD ARG A 89 17.642 0.194 -5.746 1.00 0.00 C ATOM 1373 NE ARG A 89 19.093 0.464 -5.631 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.795 1.186 -6.515 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.184 1.714 -7.584 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.108 1.380 -6.330 1.00 0.00 N ATOM 0 H ARG A 89 13.699 -2.156 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 89 15.904 -1.684 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.404 -1.190 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.024 0.392 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.232 0.602 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.611 -1.076 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.468 -0.603 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.127 1.080 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 89 19.589 0.076 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.185 1.566 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.718 2.264 -8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.573 0.978 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.642 1.930 -7.003 1.00 0.00 H new ATOM 1390 N ILE A 90 13.330 0.386 -2.619 1.00 0.00 N ATOM 1391 CA ILE A 90 12.678 1.419 -1.832 1.00 0.00 C ATOM 1392 C ILE A 90 12.677 1.007 -0.358 1.00 0.00 C ATOM 1393 O ILE A 90 13.105 1.772 0.504 1.00 0.00 O ATOM 1394 CB ILE A 90 11.284 1.717 -2.388 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.370 2.304 -3.798 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.496 2.620 -1.437 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.004 2.280 -4.486 1.00 0.00 C ATOM 0 H ILE A 90 12.805 0.079 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 90 13.230 2.356 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 90 10.738 0.777 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.738 3.329 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.089 1.736 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.509 2.816 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.389 2.126 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.028 3.562 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.093 2.703 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.650 1.251 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.294 2.869 -3.905 1.00 0.00 H new ATOM 1409 N TYR A 91 12.192 -0.202 -0.115 1.00 0.00 N ATOM 1410 CA TYR A 91 12.130 -0.725 1.239 1.00 0.00 C ATOM 1411 C TYR A 91 13.519 -0.751 1.881 1.00 0.00 C ATOM 1412 O TYR A 91 13.669 -0.423 3.057 1.00 0.00 O ATOM 1413 CB TYR A 91 11.612 -2.159 1.114 1.00 0.00 C ATOM 1414 CG TYR A 91 10.160 -2.257 0.642 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.218 -1.368 1.118 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.792 -3.234 -0.261 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.851 -1.460 0.673 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.426 -3.326 -0.706 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.523 -2.435 -0.217 1.00 0.00 C ATOM 1420 OH TYR A 91 6.232 -2.522 -0.637 1.00 0.00 O ATOM 0 H TYR A 91 11.838 -0.834 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 91 11.489 -0.102 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.248 -2.705 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.703 -2.653 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.506 -0.603 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.529 -3.930 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.104 -0.771 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.125 -4.086 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 91 6.015 -1.743 -1.190 1.00 0.00 H new ATOM 1430 N GLN A 92 14.498 -1.145 1.080 1.00 0.00 N ATOM 1431 CA GLN A 92 15.869 -1.218 1.555 1.00 0.00 C ATOM 1432 C GLN A 92 16.383 0.178 1.911 1.00 0.00 C ATOM 1433 O GLN A 92 16.885 0.397 3.012 1.00 0.00 O ATOM 1434 CB GLN A 92 16.773 -1.888 0.518 1.00 0.00 C ATOM 1435 CG GLN A 92 18.250 -1.688 0.868 1.00 0.00 C ATOM 1436 CD GLN A 92 18.629 -2.484 2.119 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.367 -2.086 3.242 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.260 -3.626 1.862 1.00 0.00 N ATOM 0 H GLN A 92 14.369 -1.417 0.105 1.00 0.00 H new ATOM 0 HA GLN A 92 15.889 -1.831 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.548 -2.953 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.570 -1.473 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.872 -2.003 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.448 -0.629 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.448 -3.899 0.897 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.556 -4.229 2.630 1.00 0.00 H new ATOM 1447 N ASP A 93 16.241 1.087 0.957 1.00 0.00 N ATOM 1448 CA ASP A 93 16.685 2.456 1.156 1.00 0.00 C ATOM 1449 C ASP A 93 16.074 3.003 2.448 1.00 0.00 C ATOM 1450 O ASP A 93 16.734 3.726 3.193 1.00 0.00 O ATOM 1451 CB ASP A 93 16.234 3.354 0.003 1.00 0.00 C ATOM 1452 CG ASP A 93 17.355 4.135 -0.686 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.092 4.832 0.044 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.450 4.016 -1.927 1.00 0.00 O ATOM 0 H ASP A 93 15.825 0.902 0.044 1.00 0.00 H new ATOM 0 HA ASP A 93 17.774 2.453 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.730 2.738 -0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.497 4.063 0.381 1.00 0.00 H new ATOM 1459 N GLU A 94 14.821 2.637 2.674 1.00 0.00 N ATOM 1460 CA GLU A 94 14.114 3.082 3.863 1.00 0.00 C ATOM 1461 C GLU A 94 14.911 2.723 5.119 1.00 0.00 C ATOM 1462 O GLU A 94 15.242 3.597 5.919 1.00 0.00 O ATOM 1463 CB GLU A 94 12.706 2.487 3.918 1.00 0.00 C ATOM 1464 CG GLU A 94 11.698 3.512 4.444 1.00 0.00 C ATOM 1465 CD GLU A 94 11.764 3.611 5.970 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.750 3.087 6.531 1.00 0.00 O ATOM 1467 OE2 GLU A 94 10.827 4.211 6.540 1.00 0.00 O ATOM 0 H GLU A 94 14.277 2.037 2.054 1.00 0.00 H new ATOM 0 HA GLU A 94 14.013 4.166 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.408 2.156 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.704 1.607 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.902 4.488 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.691 3.228 4.137 1.00 0.00 H new