USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 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 66 SER OG : rot 172:sc= -0.3 USER MOD Set 1.2: A 69 THR OG1 : rot 173:sc= -0.627 USER MOD Single : A 19 THR OG1 : rot -60:sc= 0.686 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 26 ASN : amide:sc= -0.0908 X(o=-0.091,f=-0.14) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 29 SER OG : rot 81:sc= 0.742 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.211 K(o=0.21,f=-6.6!) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00111) USER MOD Single : A 47 THR OG1 : rot -120:sc= 0.109 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00625 X(o=-0.0062,f=-0.0062) USER MOD Single : A 73 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.85) USER MOD Single : A 76 THR OG1 : rot 89:sc= 1.11 USER MOD Single : A 78 GLN : amide:sc= -1.64! C(o=-1.6!,f=-5!) USER MOD Single : A 79 GLN : amide:sc= -2.5! K(o=-2.5!,f=-1.3) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0663 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 2.928 12.149 6.945 1.00 0.00 N ATOM 246 CA ARG A 16 2.797 12.975 5.727 1.00 0.00 C ATOM 247 C ARG A 16 1.765 12.349 4.787 1.00 0.00 C ATOM 248 O ARG A 16 1.871 11.168 4.462 1.00 0.00 O ATOM 249 CB ARG A 16 4.165 13.093 4.994 1.00 0.00 C ATOM 250 CG ARG A 16 4.094 13.850 3.642 1.00 0.00 C ATOM 251 CD ARG A 16 5.410 13.829 2.851 1.00 0.00 C ATOM 252 NE ARG A 16 5.250 14.497 1.543 1.00 0.00 N ATOM 253 CZ ARG A 16 5.836 14.127 0.393 1.00 0.00 C ATOM 254 NH1 ARG A 16 6.640 13.068 0.346 1.00 0.00 N ATOM 255 NH2 ARG A 16 5.606 14.825 -0.705 1.00 0.00 N ATOM 0 HA ARG A 16 2.469 13.973 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.873 13.603 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.559 12.092 4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.306 13.410 3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.810 14.885 3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.192 14.327 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.732 12.799 2.701 1.00 0.00 H new ATOM 0 HE ARG A 16 4.639 15.313 1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.818 12.525 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.078 12.799 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.988 15.636 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.046 14.553 -1.584 1.00 0.00 H new ATOM 269 N GLU A 17 0.785 13.146 4.343 1.00 0.00 N ATOM 270 CA GLU A 17 -0.228 12.678 3.394 1.00 0.00 C ATOM 271 C GLU A 17 0.352 12.707 1.962 1.00 0.00 C ATOM 272 O GLU A 17 1.104 13.623 1.604 1.00 0.00 O ATOM 273 CB GLU A 17 -1.513 13.537 3.480 1.00 0.00 C ATOM 274 CG GLU A 17 -2.690 12.977 2.660 1.00 0.00 C ATOM 275 CD GLU A 17 -3.923 13.882 2.697 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.674 13.848 3.690 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.151 14.638 1.728 1.00 0.00 O ATOM 0 H GLU A 17 0.674 14.119 4.627 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.500 11.654 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.816 13.618 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.288 14.546 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.375 12.843 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.957 11.992 3.042 1.00 0.00 H new ATOM 284 N ILE A 18 0.005 11.688 1.169 1.00 0.00 N ATOM 285 CA ILE A 18 0.428 11.519 -0.232 1.00 0.00 C ATOM 286 C ILE A 18 -0.793 11.052 -1.049 1.00 0.00 C ATOM 287 O ILE A 18 -1.912 10.974 -0.524 1.00 0.00 O ATOM 288 CB ILE A 18 1.604 10.465 -0.381 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.163 9.029 0.083 1.00 0.00 C ATOM 290 CG2 ILE A 18 2.875 10.928 0.373 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.171 7.920 -0.210 1.00 0.00 C ATOM 0 H ILE A 18 -0.598 10.931 1.492 1.00 0.00 H new ATOM 0 HA ILE A 18 0.806 12.473 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 18 1.848 10.404 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.973 9.052 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.220 8.780 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.662 10.184 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.212 11.882 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.647 11.045 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.778 6.968 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.345 7.861 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.110 8.138 0.299 1.00 0.00 H new ATOM 303 N THR A 19 -0.576 10.754 -2.335 1.00 0.00 N ATOM 304 CA THR A 19 -1.600 10.127 -3.189 1.00 0.00 C ATOM 305 C THR A 19 -1.262 8.646 -3.423 1.00 0.00 C ATOM 306 O THR A 19 -0.138 8.204 -3.135 1.00 0.00 O ATOM 307 CB THR A 19 -1.728 10.877 -4.555 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.500 10.789 -5.303 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.098 12.358 -4.353 1.00 0.00 C ATOM 0 H THR A 19 0.306 10.938 -2.813 1.00 0.00 H new ATOM 0 HA THR A 19 -2.559 10.194 -2.675 1.00 0.00 H new ATOM 0 HB THR A 19 -2.528 10.392 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.227 11.194 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.179 12.848 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.053 12.427 -3.831 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.325 12.849 -3.761 1.00 0.00 H new ATOM 317 N TRP A 20 -2.259 7.890 -3.922 1.00 0.00 N ATOM 318 CA TRP A 20 -2.070 6.512 -4.419 1.00 0.00 C ATOM 319 C TRP A 20 -0.991 6.496 -5.528 1.00 0.00 C ATOM 320 O TRP A 20 -0.193 5.568 -5.591 1.00 0.00 O ATOM 321 CB TRP A 20 -3.426 5.933 -4.927 1.00 0.00 C ATOM 322 CG TRP A 20 -3.359 4.557 -5.582 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.422 4.281 -6.923 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.239 3.281 -4.930 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.337 2.931 -7.136 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.227 2.295 -5.930 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.139 2.883 -3.601 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.117 0.935 -5.637 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.030 1.539 -3.309 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.021 0.577 -4.322 1.00 0.00 C ATOM 0 H TRP A 20 -3.222 8.219 -3.992 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.724 5.876 -3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.115 5.880 -4.084 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.853 6.635 -5.643 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.524 5.023 -7.701 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.353 2.473 -8.047 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.147 3.616 -2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.108 0.193 -6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.950 1.225 -2.279 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.937 -0.468 -4.061 1.00 0.00 H new ATOM 341 N LYS A 21 -0.974 7.547 -6.379 1.00 0.00 N ATOM 342 CA LYS A 21 0.053 7.741 -7.428 1.00 0.00 C ATOM 343 C LYS A 21 1.484 7.779 -6.845 1.00 0.00 C ATOM 344 O LYS A 21 2.400 7.117 -7.381 1.00 0.00 O ATOM 345 CB LYS A 21 -0.256 9.029 -8.239 1.00 0.00 C ATOM 346 CG LYS A 21 0.662 9.250 -9.464 1.00 0.00 C ATOM 347 CD LYS A 21 0.346 10.557 -10.228 1.00 0.00 C ATOM 348 CE LYS A 21 1.317 10.822 -11.389 1.00 0.00 C ATOM 349 NZ LYS A 21 1.017 12.104 -12.095 1.00 0.00 N ATOM 0 H LYS A 21 -1.675 8.287 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 21 0.013 6.882 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.291 8.990 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.170 9.890 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.701 9.271 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.561 8.404 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.671 10.508 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.382 11.396 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.338 10.850 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.265 9.997 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.697 12.241 -12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.053 12.069 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.092 12.895 -11.425 1.00 0.00 H new ATOM 363 N ASP A 22 1.670 8.547 -5.746 1.00 0.00 N ATOM 364 CA ASP A 22 2.954 8.596 -5.014 1.00 0.00 C ATOM 365 C ASP A 22 3.319 7.220 -4.462 1.00 0.00 C ATOM 366 O ASP A 22 4.465 6.773 -4.605 1.00 0.00 O ATOM 367 CB ASP A 22 2.915 9.604 -3.837 1.00 0.00 C ATOM 368 CG ASP A 22 2.889 11.070 -4.276 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.846 11.506 -4.946 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.914 11.788 -3.979 1.00 0.00 O ATOM 0 H ASP A 22 0.944 9.142 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 22 3.706 8.922 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.034 9.402 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.786 9.440 -3.202 1.00 0.00 H new ATOM 375 N PHE A 23 2.320 6.560 -3.840 1.00 0.00 N ATOM 376 CA PHE A 23 2.489 5.235 -3.231 1.00 0.00 C ATOM 377 C PHE A 23 3.061 4.224 -4.243 1.00 0.00 C ATOM 378 O PHE A 23 4.096 3.625 -3.988 1.00 0.00 O ATOM 379 CB PHE A 23 1.159 4.704 -2.629 1.00 0.00 C ATOM 380 CG PHE A 23 1.234 3.234 -2.193 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.135 2.829 -1.211 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.443 2.261 -2.802 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.235 1.505 -0.849 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.547 0.934 -2.441 1.00 0.00 C ATOM 385 CZ PHE A 23 1.444 0.557 -1.464 1.00 0.00 C ATOM 0 H PHE A 23 1.376 6.935 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 23 3.204 5.349 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.887 5.317 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.364 4.817 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.763 3.563 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.262 2.551 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.934 1.208 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.073 0.192 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.527 -0.482 -1.180 1.00 0.00 H new ATOM 395 N VAL A 24 2.377 4.073 -5.387 1.00 0.00 N ATOM 396 CA VAL A 24 2.747 3.102 -6.426 1.00 0.00 C ATOM 397 C VAL A 24 4.183 3.320 -6.922 1.00 0.00 C ATOM 398 O VAL A 24 5.050 2.473 -6.715 1.00 0.00 O ATOM 399 CB VAL A 24 1.749 3.175 -7.635 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.153 2.218 -8.788 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.315 2.905 -7.139 1.00 0.00 C ATOM 0 H VAL A 24 1.549 4.623 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 24 2.691 2.111 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 24 1.790 4.180 -8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.433 2.304 -9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.145 2.485 -9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.165 1.192 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.377 2.956 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.266 1.913 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.040 3.654 -6.397 1.00 0.00 H new ATOM 411 N ASN A 25 4.417 4.496 -7.513 1.00 0.00 N ATOM 412 CA ASN A 25 5.667 4.797 -8.228 1.00 0.00 C ATOM 413 C ASN A 25 6.863 4.866 -7.269 1.00 0.00 C ATOM 414 O ASN A 25 7.860 4.153 -7.433 1.00 0.00 O ATOM 415 CB ASN A 25 5.525 6.140 -9.004 1.00 0.00 C ATOM 416 CG ASN A 25 4.389 6.138 -10.032 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.085 5.110 -10.639 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.754 7.281 -10.229 1.00 0.00 N ATOM 0 H ASN A 25 3.748 5.266 -7.511 1.00 0.00 H new ATOM 0 HA ASN A 25 5.853 3.988 -8.934 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.356 6.946 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.464 6.357 -9.513 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.987 7.329 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.031 8.114 -9.710 1.00 0.00 H new ATOM 425 N ASN A 26 6.733 5.706 -6.242 1.00 0.00 N ATOM 426 CA ASN A 26 7.860 6.140 -5.402 1.00 0.00 C ATOM 427 C ASN A 26 8.125 5.184 -4.226 1.00 0.00 C ATOM 428 O ASN A 26 9.179 5.278 -3.585 1.00 0.00 O ATOM 429 CB ASN A 26 7.574 7.574 -4.872 1.00 0.00 C ATOM 430 CG ASN A 26 7.163 8.556 -5.980 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.622 8.469 -7.119 1.00 0.00 O ATOM 432 ND2 ASN A 26 6.266 9.474 -5.664 1.00 0.00 N ATOM 0 H ASN A 26 5.838 6.110 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 26 8.759 6.134 -6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.782 7.527 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.464 7.954 -4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.938 10.132 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.902 9.525 -4.713 1.00 0.00 H new ATOM 439 N TYR A 27 7.173 4.279 -3.906 1.00 0.00 N ATOM 440 CA TYR A 27 7.297 3.400 -2.717 1.00 0.00 C ATOM 441 C TYR A 27 7.174 1.905 -3.087 1.00 0.00 C ATOM 442 O TYR A 27 8.157 1.147 -2.972 1.00 0.00 O ATOM 443 CB TYR A 27 6.249 3.806 -1.636 1.00 0.00 C ATOM 444 CG TYR A 27 6.397 5.261 -1.169 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.362 5.620 -0.236 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.594 6.280 -1.687 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.517 6.934 0.166 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.748 7.597 -1.290 1.00 0.00 C ATOM 449 CZ TYR A 27 6.710 7.917 -0.364 1.00 0.00 C ATOM 450 OH TYR A 27 6.865 9.227 0.047 1.00 0.00 O ATOM 0 H TYR A 27 6.319 4.137 -4.446 1.00 0.00 H new ATOM 0 HA TYR A 27 8.295 3.537 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.246 3.660 -2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.347 3.143 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.003 4.859 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.835 6.034 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.271 7.190 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.116 8.368 -1.706 1.00 0.00 H new ATOM 0 HH TYR A 27 6.220 9.796 -0.423 1.00 0.00 H new ATOM 460 N LEU A 28 5.963 1.501 -3.528 1.00 0.00 N ATOM 461 CA LEU A 28 5.611 0.091 -3.779 1.00 0.00 C ATOM 462 C LEU A 28 6.511 -0.538 -4.860 1.00 0.00 C ATOM 463 O LEU A 28 7.042 -1.635 -4.666 1.00 0.00 O ATOM 464 CB LEU A 28 4.115 -0.026 -4.177 1.00 0.00 C ATOM 465 CG LEU A 28 3.568 -1.481 -4.359 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.679 -2.298 -3.053 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.118 -1.475 -4.888 1.00 0.00 C ATOM 0 H LEU A 28 5.200 2.149 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 28 5.776 -0.463 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.516 0.474 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.963 0.518 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 28 4.193 -1.969 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.290 -3.303 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.724 -2.359 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.102 -1.810 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.768 -2.501 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.475 -0.950 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.085 -0.970 -5.853 1.00 0.00 H new ATOM 479 N SER A 29 6.678 0.171 -5.990 1.00 0.00 N ATOM 480 CA SER A 29 7.497 -0.286 -7.126 1.00 0.00 C ATOM 481 C SER A 29 9.010 -0.308 -6.804 1.00 0.00 C ATOM 482 O SER A 29 9.786 -0.926 -7.538 1.00 0.00 O ATOM 483 CB SER A 29 7.221 0.608 -8.348 1.00 0.00 C ATOM 484 OG SER A 29 5.837 0.579 -8.696 1.00 0.00 O ATOM 0 H SER A 29 6.246 1.082 -6.142 1.00 0.00 H new ATOM 0 HA SER A 29 7.212 -1.315 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.524 1.632 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.820 0.271 -9.194 1.00 0.00 H new ATOM 0 HG SER A 29 5.340 1.188 -8.111 1.00 0.00 H new ATOM 490 N LYS A 30 9.430 0.385 -5.726 1.00 0.00 N ATOM 491 CA LYS A 30 10.835 0.378 -5.260 1.00 0.00 C ATOM 492 C LYS A 30 11.067 -0.697 -4.181 1.00 0.00 C ATOM 493 O LYS A 30 12.209 -0.910 -3.768 1.00 0.00 O ATOM 494 CB LYS A 30 11.244 1.768 -4.702 1.00 0.00 C ATOM 495 CG LYS A 30 11.193 2.929 -5.719 1.00 0.00 C ATOM 496 CD LYS A 30 11.819 4.221 -5.149 1.00 0.00 C ATOM 497 CE LYS A 30 11.827 5.383 -6.149 1.00 0.00 C ATOM 498 NZ LYS A 30 12.500 6.583 -5.576 1.00 0.00 N ATOM 0 H LYS A 30 8.811 0.962 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 30 11.456 0.143 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.590 2.012 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.257 1.698 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.721 2.640 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.157 3.121 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.268 4.521 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.842 4.013 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.338 5.077 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.803 5.635 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.490 7.353 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.996 6.887 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.484 6.347 -5.334 1.00 0.00 H new ATOM 512 N GLY A 31 9.982 -1.367 -3.749 1.00 0.00 N ATOM 513 CA GLY A 31 10.044 -2.372 -2.683 1.00 0.00 C ATOM 514 C GLY A 31 10.551 -1.832 -1.341 1.00 0.00 C ATOM 515 O GLY A 31 11.245 -2.546 -0.601 1.00 0.00 O ATOM 0 H GLY A 31 9.046 -1.225 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.050 -2.795 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.694 -3.186 -3.004 1.00 0.00 H new ATOM 519 N VAL A 32 10.221 -0.558 -1.037 1.00 0.00 N ATOM 520 CA VAL A 32 10.600 0.079 0.245 1.00 0.00 C ATOM 521 C VAL A 32 9.483 -0.072 1.288 1.00 0.00 C ATOM 522 O VAL A 32 9.615 0.427 2.395 1.00 0.00 O ATOM 523 CB VAL A 32 10.979 1.606 0.084 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.102 1.799 -0.954 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.751 2.482 -0.244 1.00 0.00 C ATOM 0 H VAL A 32 9.693 0.051 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 32 11.491 -0.445 0.591 1.00 0.00 H new ATOM 0 HB VAL A 32 11.357 1.942 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.339 2.859 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.990 1.254 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.772 1.420 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.062 3.522 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.303 2.145 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.019 2.399 0.560 1.00 0.00 H new ATOM 535 N VAL A 33 8.380 -0.761 0.923 1.00 0.00 N ATOM 536 CA VAL A 33 7.209 -0.907 1.810 1.00 0.00 C ATOM 537 C VAL A 33 7.274 -2.248 2.563 1.00 0.00 C ATOM 538 O VAL A 33 7.412 -3.312 1.947 1.00 0.00 O ATOM 539 CB VAL A 33 5.852 -0.797 1.010 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.630 -0.795 1.960 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.848 0.439 0.089 1.00 0.00 C ATOM 0 H VAL A 33 8.278 -1.224 0.020 1.00 0.00 H new ATOM 0 HA VAL A 33 7.237 -0.089 2.530 1.00 0.00 H new ATOM 0 HB VAL A 33 5.771 -1.682 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.714 -0.718 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.616 -1.720 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.699 0.055 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.901 0.489 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.972 1.340 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.668 0.363 -0.625 1.00 0.00 H new ATOM 551 N ASP A 34 7.168 -2.174 3.896 1.00 0.00 N ATOM 552 CA ASP A 34 7.186 -3.339 4.797 1.00 0.00 C ATOM 553 C ASP A 34 5.765 -3.870 4.969 1.00 0.00 C ATOM 554 O ASP A 34 5.515 -5.067 4.815 1.00 0.00 O ATOM 555 CB ASP A 34 7.774 -2.921 6.174 1.00 0.00 C ATOM 556 CG ASP A 34 7.696 -4.011 7.254 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.409 -5.031 7.148 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.911 -3.860 8.213 1.00 0.00 O ATOM 0 H ASP A 34 7.065 -1.287 4.390 1.00 0.00 H new ATOM 0 HA ASP A 34 7.809 -4.125 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.817 -2.635 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.244 -2.037 6.528 1.00 0.00 H new ATOM 563 N ARG A 35 4.848 -2.951 5.295 1.00 0.00 N ATOM 564 CA ARG A 35 3.432 -3.266 5.521 1.00 0.00 C ATOM 565 C ARG A 35 2.573 -2.019 5.258 1.00 0.00 C ATOM 566 O ARG A 35 3.089 -0.892 5.191 1.00 0.00 O ATOM 567 CB ARG A 35 3.206 -3.810 6.967 1.00 0.00 C ATOM 568 CG ARG A 35 3.174 -2.738 8.075 1.00 0.00 C ATOM 569 CD ARG A 35 3.175 -3.332 9.486 1.00 0.00 C ATOM 570 NE ARG A 35 4.440 -4.007 9.776 1.00 0.00 N ATOM 571 CZ ARG A 35 4.896 -4.314 10.996 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.185 -4.026 12.088 1.00 0.00 N ATOM 573 NH2 ARG A 35 6.079 -4.893 11.109 1.00 0.00 N ATOM 0 H ARG A 35 5.069 -1.962 5.410 1.00 0.00 H new ATOM 0 HA ARG A 35 3.130 -4.050 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.265 -4.359 6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.997 -4.524 7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.037 -2.082 7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.285 -2.120 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.006 -2.541 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.351 -4.039 9.586 1.00 0.00 H new ATOM 0 HE ARG A 35 5.024 -4.266 8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.279 -3.565 12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.547 -4.267 13.011 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.628 -5.098 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.443 -5.134 12.031 1.00 0.00 H new ATOM 587 N LEU A 36 1.263 -2.233 5.073 1.00 0.00 N ATOM 588 CA LEU A 36 0.279 -1.154 4.934 1.00 0.00 C ATOM 589 C LEU A 36 -0.724 -1.220 6.089 1.00 0.00 C ATOM 590 O LEU A 36 -1.618 -2.068 6.107 1.00 0.00 O ATOM 591 CB LEU A 36 -0.426 -1.280 3.563 1.00 0.00 C ATOM 592 CG LEU A 36 0.483 -0.998 2.332 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.255 -1.290 1.014 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.039 0.443 2.375 1.00 0.00 C ATOM 0 H LEU A 36 0.855 -3.166 5.015 1.00 0.00 H new ATOM 0 HA LEU A 36 0.775 -0.184 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.835 -2.286 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.269 -0.590 3.539 1.00 0.00 H new ATOM 0 HG LEU A 36 1.334 -1.677 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.407 -1.083 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.556 -2.337 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.139 -0.657 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.671 0.615 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.212 1.153 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.627 0.579 3.283 1.00 0.00 H new ATOM 606 N GLU A 37 -0.545 -0.313 7.057 1.00 0.00 N ATOM 607 CA GLU A 37 -1.390 -0.230 8.250 1.00 0.00 C ATOM 608 C GLU A 37 -2.606 0.659 7.956 1.00 0.00 C ATOM 609 O GLU A 37 -2.515 1.888 7.985 1.00 0.00 O ATOM 610 CB GLU A 37 -0.544 0.311 9.429 1.00 0.00 C ATOM 611 CG GLU A 37 0.610 -0.628 9.843 1.00 0.00 C ATOM 612 CD GLU A 37 1.502 -0.049 10.952 1.00 0.00 C ATOM 613 OE1 GLU A 37 2.439 0.712 10.637 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.251 -0.316 12.142 1.00 0.00 O ATOM 0 H GLU A 37 0.196 0.388 7.032 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.764 -1.216 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.131 1.281 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.195 0.474 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.193 -1.577 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.224 -0.843 8.969 1.00 0.00 H new ATOM 621 N VAL A 38 -3.754 0.016 7.689 1.00 0.00 N ATOM 622 CA VAL A 38 -4.969 0.708 7.241 1.00 0.00 C ATOM 623 C VAL A 38 -5.812 1.028 8.475 1.00 0.00 C ATOM 624 O VAL A 38 -6.596 0.195 8.949 1.00 0.00 O ATOM 625 CB VAL A 38 -5.790 -0.152 6.209 1.00 0.00 C ATOM 626 CG1 VAL A 38 -6.990 0.641 5.632 1.00 0.00 C ATOM 627 CG2 VAL A 38 -4.875 -0.701 5.094 1.00 0.00 C ATOM 0 H VAL A 38 -3.864 -0.994 7.778 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.690 1.625 6.722 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.204 -1.007 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.533 0.015 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.657 0.933 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.625 1.533 5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.467 -1.291 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.409 0.130 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.101 -1.330 5.535 1.00 0.00 H new ATOM 637 N VAL A 39 -5.602 2.231 9.013 1.00 0.00 N ATOM 638 CA VAL A 39 -6.244 2.667 10.247 1.00 0.00 C ATOM 639 C VAL A 39 -7.647 3.211 9.933 1.00 0.00 C ATOM 640 O VAL A 39 -7.820 3.984 8.972 1.00 0.00 O ATOM 641 CB VAL A 39 -5.389 3.754 10.988 1.00 0.00 C ATOM 642 CG1 VAL A 39 -6.067 4.215 12.301 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.934 3.264 11.238 1.00 0.00 C ATOM 0 H VAL A 39 -4.981 2.928 8.602 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.328 1.807 10.912 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.331 4.622 10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.446 4.968 12.786 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.044 4.641 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.189 3.361 12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.371 4.043 11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.954 2.364 11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.456 3.042 10.284 1.00 0.00 H new ATOM 653 N ASN A 40 -8.631 2.743 10.725 1.00 0.00 N ATOM 654 CA ASN A 40 -10.024 3.229 10.717 1.00 0.00 C ATOM 655 C ASN A 40 -10.751 2.909 9.393 1.00 0.00 C ATOM 656 O ASN A 40 -11.868 3.392 9.165 1.00 0.00 O ATOM 657 CB ASN A 40 -10.039 4.767 11.037 1.00 0.00 C ATOM 658 CG ASN A 40 -11.423 5.336 11.373 1.00 0.00 C ATOM 659 OD1 ASN A 40 -12.143 5.856 10.520 1.00 0.00 O ATOM 660 ND2 ASN A 40 -11.801 5.219 12.619 1.00 0.00 N ATOM 0 H ASN A 40 -8.475 1.998 11.405 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.578 2.700 11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.369 4.957 11.876 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.637 5.307 10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.716 5.564 12.909 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.181 4.783 13.301 1.00 0.00 H new ATOM 667 N LYS A 41 -10.131 2.049 8.533 1.00 0.00 N ATOM 668 CA LYS A 41 -10.559 1.808 7.128 1.00 0.00 C ATOM 669 C LYS A 41 -10.561 3.109 6.273 1.00 0.00 C ATOM 670 O LYS A 41 -10.961 3.095 5.100 1.00 0.00 O ATOM 671 CB LYS A 41 -11.956 1.122 7.094 1.00 0.00 C ATOM 672 CG LYS A 41 -12.077 -0.173 7.929 1.00 0.00 C ATOM 673 CD LYS A 41 -13.524 -0.730 7.934 1.00 0.00 C ATOM 674 CE LYS A 41 -13.718 -1.906 8.902 1.00 0.00 C ATOM 675 NZ LYS A 41 -12.846 -3.057 8.571 1.00 0.00 N ATOM 0 H LYS A 41 -9.314 1.501 8.801 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.825 1.139 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.701 1.834 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.204 0.891 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.400 -0.927 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.762 0.026 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.213 0.070 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.786 -1.051 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.508 -1.575 9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.760 -2.224 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.025 -3.832 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.051 -3.381 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.849 -2.767 8.635 1.00 0.00 H new ATOM 689 N ARG A 42 -10.069 4.208 6.860 1.00 0.00 N ATOM 690 CA ARG A 42 -10.194 5.571 6.323 1.00 0.00 C ATOM 691 C ARG A 42 -8.957 5.932 5.507 1.00 0.00 C ATOM 692 O ARG A 42 -9.060 6.579 4.452 1.00 0.00 O ATOM 693 CB ARG A 42 -10.367 6.553 7.510 1.00 0.00 C ATOM 694 CG ARG A 42 -10.580 8.032 7.121 1.00 0.00 C ATOM 695 CD ARG A 42 -10.808 8.924 8.353 1.00 0.00 C ATOM 696 NE ARG A 42 -11.892 8.429 9.218 1.00 0.00 N ATOM 697 CZ ARG A 42 -12.620 9.164 10.069 1.00 0.00 C ATOM 698 NH1 ARG A 42 -12.421 10.473 10.204 1.00 0.00 N ATOM 699 NH2 ARG A 42 -13.534 8.561 10.815 1.00 0.00 N ATOM 0 H ARG A 42 -9.560 4.174 7.743 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.061 5.634 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.217 6.226 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.485 6.486 8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.711 8.391 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.437 8.111 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.885 8.982 8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.043 9.937 8.025 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.109 7.434 9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.701 10.939 9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.989 11.010 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.674 7.554 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.098 9.104 11.469 1.00 0.00 H new ATOM 713 N PHE A 43 -7.798 5.484 5.995 1.00 0.00 N ATOM 714 CA PHE A 43 -6.507 5.803 5.392 1.00 0.00 C ATOM 715 C PHE A 43 -5.531 4.651 5.596 1.00 0.00 C ATOM 716 O PHE A 43 -5.618 3.897 6.574 1.00 0.00 O ATOM 717 CB PHE A 43 -5.932 7.133 5.959 1.00 0.00 C ATOM 718 CG PHE A 43 -5.542 7.117 7.440 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.507 7.238 8.437 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.202 6.997 7.831 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.153 7.241 9.772 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.849 6.997 9.167 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.823 7.121 10.136 1.00 0.00 C ATOM 0 H PHE A 43 -7.731 4.889 6.821 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.655 5.944 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.053 7.404 5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.671 7.920 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.547 7.331 8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.434 6.903 7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.914 7.337 10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.812 6.900 9.452 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.547 7.124 11.180 1.00 0.00 H new ATOM 733 N VAL A 44 -4.597 4.547 4.656 1.00 0.00 N ATOM 734 CA VAL A 44 -3.586 3.497 4.611 1.00 0.00 C ATOM 735 C VAL A 44 -2.228 4.128 4.905 1.00 0.00 C ATOM 736 O VAL A 44 -1.840 5.084 4.233 1.00 0.00 O ATOM 737 CB VAL A 44 -3.553 2.826 3.196 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.496 1.705 3.137 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.953 2.320 2.791 1.00 0.00 C ATOM 0 H VAL A 44 -4.521 5.209 3.884 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.822 2.731 5.350 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.260 3.583 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.496 1.257 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.511 2.122 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.733 0.942 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.902 1.859 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.299 1.585 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.649 3.158 2.764 1.00 0.00 H new ATOM 749 N ARG A 45 -1.504 3.584 5.891 1.00 0.00 N ATOM 750 CA ARG A 45 -0.195 4.100 6.296 1.00 0.00 C ATOM 751 C ARG A 45 0.903 3.206 5.707 1.00 0.00 C ATOM 752 O ARG A 45 0.928 1.994 5.937 1.00 0.00 O ATOM 753 CB ARG A 45 -0.089 4.189 7.837 1.00 0.00 C ATOM 754 CG ARG A 45 1.239 4.800 8.348 1.00 0.00 C ATOM 755 CD ARG A 45 1.248 5.016 9.868 1.00 0.00 C ATOM 756 NE ARG A 45 0.999 3.780 10.635 1.00 0.00 N ATOM 757 CZ ARG A 45 0.227 3.707 11.739 1.00 0.00 C ATOM 758 NH1 ARG A 45 -0.376 4.797 12.226 1.00 0.00 N ATOM 759 NH2 ARG A 45 0.093 2.552 12.375 1.00 0.00 N ATOM 0 H ARG A 45 -1.811 2.774 6.429 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.069 5.111 5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.919 4.787 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.201 3.189 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.065 4.144 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.411 5.754 7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.212 5.431 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.490 5.755 10.127 1.00 0.00 H new ATOM 0 HE ARG A 45 1.441 2.921 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.255 5.697 11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.957 4.728 13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.573 1.721 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.490 2.494 13.210 1.00 0.00 H new ATOM 773 N VAL A 46 1.790 3.844 4.948 1.00 0.00 N ATOM 774 CA VAL A 46 2.915 3.194 4.280 1.00 0.00 C ATOM 775 C VAL A 46 4.073 3.073 5.281 1.00 0.00 C ATOM 776 O VAL A 46 4.649 4.086 5.709 1.00 0.00 O ATOM 777 CB VAL A 46 3.367 4.009 3.009 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.503 3.299 2.235 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.158 4.324 2.088 1.00 0.00 C ATOM 0 H VAL A 46 1.746 4.848 4.776 1.00 0.00 H new ATOM 0 HA VAL A 46 2.611 2.204 3.941 1.00 0.00 H new ATOM 0 HB VAL A 46 3.773 4.957 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.781 3.897 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.368 3.180 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.160 2.318 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.499 4.887 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.699 3.392 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.426 4.915 2.638 1.00 0.00 H new ATOM 789 N THR A 47 4.374 1.837 5.684 1.00 0.00 N ATOM 790 CA THR A 47 5.511 1.535 6.553 1.00 0.00 C ATOM 791 C THR A 47 6.712 1.216 5.660 1.00 0.00 C ATOM 792 O THR A 47 6.558 0.515 4.664 1.00 0.00 O ATOM 793 CB THR A 47 5.193 0.316 7.479 1.00 0.00 C ATOM 794 OG1 THR A 47 3.893 0.483 8.078 1.00 0.00 O ATOM 795 CG2 THR A 47 6.248 0.121 8.586 1.00 0.00 C ATOM 0 H THR A 47 3.833 1.015 5.415 1.00 0.00 H new ATOM 0 HA THR A 47 5.725 2.390 7.194 1.00 0.00 H new ATOM 0 HB THR A 47 5.210 -0.575 6.852 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.981 0.493 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.977 -0.739 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.224 -0.050 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.289 1.013 9.211 1.00 0.00 H new ATOM 803 N PHE A 48 7.876 1.766 5.993 1.00 0.00 N ATOM 804 CA PHE A 48 9.126 1.473 5.270 1.00 0.00 C ATOM 805 C PHE A 48 9.781 0.201 5.837 1.00 0.00 C ATOM 806 O PHE A 48 9.619 -0.102 7.025 1.00 0.00 O ATOM 807 CB PHE A 48 10.089 2.679 5.348 1.00 0.00 C ATOM 808 CG PHE A 48 9.491 3.974 4.811 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.779 4.831 5.647 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.619 4.321 3.469 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.210 5.989 5.159 1.00 0.00 C ATOM 812 CE2 PHE A 48 9.055 5.484 2.984 1.00 0.00 C ATOM 813 CZ PHE A 48 8.347 6.317 3.828 1.00 0.00 C ATOM 0 H PHE A 48 7.988 2.424 6.765 1.00 0.00 H new ATOM 0 HA PHE A 48 8.895 1.297 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.386 2.829 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.994 2.447 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.671 4.585 6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.166 3.673 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.657 6.639 5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.168 5.743 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.902 7.224 3.445 1.00 0.00 H new ATOM 823 N THR A 49 10.484 -0.555 4.972 1.00 0.00 N ATOM 824 CA THR A 49 11.226 -1.761 5.376 1.00 0.00 C ATOM 825 C THR A 49 12.393 -1.403 6.330 1.00 0.00 C ATOM 826 O THR A 49 13.114 -0.431 6.073 1.00 0.00 O ATOM 827 CB THR A 49 11.766 -2.532 4.127 1.00 0.00 C ATOM 828 OG1 THR A 49 12.467 -1.629 3.271 1.00 0.00 O ATOM 829 CG2 THR A 49 10.639 -3.206 3.326 1.00 0.00 C ATOM 0 H THR A 49 10.552 -0.346 3.976 1.00 0.00 H new ATOM 0 HA THR A 49 10.532 -2.411 5.909 1.00 0.00 H new ATOM 0 HB THR A 49 12.433 -3.313 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.806 -2.115 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.064 -3.728 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.116 -3.919 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.937 -2.448 2.978 1.00 0.00 H new ATOM 960 N TYR A 59 6.695 8.705 8.379 1.00 0.00 N ATOM 961 CA TYR A 59 5.909 7.809 7.527 1.00 0.00 C ATOM 962 C TYR A 59 4.983 8.624 6.649 1.00 0.00 C ATOM 963 O TYR A 59 4.582 9.741 7.003 1.00 0.00 O ATOM 964 CB TYR A 59 5.098 6.796 8.375 1.00 0.00 C ATOM 965 CG TYR A 59 5.988 5.864 9.206 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.618 4.762 8.623 1.00 0.00 C ATOM 967 CD2 TYR A 59 6.218 6.102 10.559 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.448 3.941 9.357 1.00 0.00 C ATOM 969 CE2 TYR A 59 7.044 5.279 11.299 1.00 0.00 C ATOM 970 CZ TYR A 59 7.652 4.203 10.692 1.00 0.00 C ATOM 971 OH TYR A 59 8.472 3.385 11.426 1.00 0.00 O ATOM 0 HA TYR A 59 6.594 7.240 6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.430 7.341 9.042 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.471 6.197 7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.452 4.549 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.742 6.945 11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.934 3.099 8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.212 5.478 12.347 1.00 0.00 H new ATOM 0 HH TYR A 59 8.512 3.707 12.351 1.00 0.00 H new ATOM 981 N VAL A 60 4.644 8.047 5.509 1.00 0.00 N ATOM 982 CA VAL A 60 3.673 8.619 4.586 1.00 0.00 C ATOM 983 C VAL A 60 2.410 7.761 4.618 1.00 0.00 C ATOM 984 O VAL A 60 2.441 6.611 5.060 1.00 0.00 O ATOM 985 CB VAL A 60 4.250 8.740 3.132 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.382 9.797 3.073 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.732 7.373 2.608 1.00 0.00 C ATOM 0 H VAL A 60 5.037 7.160 5.193 1.00 0.00 H new ATOM 0 HA VAL A 60 3.433 9.635 4.901 1.00 0.00 H new ATOM 0 HB VAL A 60 3.445 9.076 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.766 9.863 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.990 10.768 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.188 9.505 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.126 7.489 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.515 6.988 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.896 6.674 2.593 1.00 0.00 H new ATOM 997 N TRP A 61 1.304 8.351 4.190 1.00 0.00 N ATOM 998 CA TRP A 61 -0.022 7.728 4.232 1.00 0.00 C ATOM 999 C TRP A 61 -0.934 8.434 3.232 1.00 0.00 C ATOM 1000 O TRP A 61 -0.634 9.539 2.795 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.630 7.799 5.669 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.829 9.204 6.194 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.101 9.988 6.811 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.032 9.990 6.132 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.440 11.206 7.112 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.749 11.228 6.715 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.321 9.758 5.634 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.700 12.238 6.818 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.266 10.755 5.736 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.951 11.985 6.327 1.00 0.00 C ATOM 0 H TRP A 61 1.296 9.292 3.796 1.00 0.00 H new ATOM 0 HA TRP A 61 0.071 6.675 3.965 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.591 7.284 5.670 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.022 7.257 6.354 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.116 9.690 7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.054 11.977 7.562 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.570 8.812 5.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.459 13.189 7.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.262 10.586 5.355 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.711 12.749 6.396 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.061 7.809 2.908 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.037 8.360 1.956 1.00 0.00 C ATOM 1023 C PHE A 62 -4.438 7.902 2.354 1.00 0.00 C ATOM 1024 O PHE A 62 -4.620 6.754 2.764 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.686 7.936 0.498 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.516 6.429 0.271 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.298 5.800 0.533 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.569 5.644 -0.199 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.140 4.441 0.336 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.409 4.287 -0.395 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.196 3.686 -0.128 1.00 0.00 C ATOM 0 H PHE A 62 -2.330 6.904 3.295 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.004 9.449 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.470 8.300 -0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.763 8.436 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.465 6.385 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.522 6.104 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.190 3.971 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.235 3.694 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.074 2.624 -0.283 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.428 8.797 2.221 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.817 8.482 2.581 1.00 0.00 C ATOM 1043 C ASN A 63 -7.505 7.869 1.357 1.00 0.00 C ATOM 1044 O ASN A 63 -7.348 8.366 0.236 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.575 9.726 3.127 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.704 10.881 2.128 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.850 11.759 2.088 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.772 10.896 1.338 1.00 0.00 N ATOM 0 H ASN A 63 -5.292 9.744 1.867 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.828 7.759 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.573 9.419 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.060 10.088 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.902 11.656 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.462 10.148 1.399 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.206 6.749 1.576 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.898 5.996 0.517 1.00 0.00 C ATOM 1057 C ILE A 64 -10.413 6.256 0.597 1.00 0.00 C ATOM 1058 O ILE A 64 -10.986 6.346 1.697 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.597 4.444 0.614 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.916 3.896 2.048 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.130 4.135 0.207 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.708 2.400 2.237 1.00 0.00 C ATOM 0 H ILE A 64 -8.311 6.334 2.502 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.523 6.342 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.252 3.931 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.292 4.426 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.952 4.135 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.950 3.063 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.961 4.460 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.448 4.665 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.956 2.125 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.352 1.853 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.666 2.149 2.036 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.043 6.404 -0.580 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.488 6.579 -0.673 1.00 0.00 C ATOM 1076 C GLY A 65 -13.233 5.286 -0.388 1.00 0.00 C ATOM 1077 O GLY A 65 -14.250 5.289 0.308 1.00 0.00 O ATOM 0 H GLY A 65 -10.564 6.405 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.807 7.346 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.747 6.936 -1.670 1.00 0.00 H new ATOM 1081 N SER A 66 -12.710 4.179 -0.933 1.00 0.00 N ATOM 1082 CA SER A 66 -13.248 2.826 -0.721 1.00 0.00 C ATOM 1083 C SER A 66 -12.113 1.847 -0.360 1.00 0.00 C ATOM 1084 O SER A 66 -11.068 1.824 -1.031 1.00 0.00 O ATOM 1085 CB SER A 66 -13.989 2.349 -1.988 1.00 0.00 C ATOM 1086 OG SER A 66 -14.456 1.011 -1.856 1.00 0.00 O ATOM 0 H SER A 66 -11.891 4.197 -1.541 1.00 0.00 H new ATOM 0 HA SER A 66 -13.954 2.854 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.833 3.010 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.321 2.418 -2.847 1.00 0.00 H new ATOM 0 HG SER A 66 -15.028 0.788 -2.619 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.336 1.047 0.706 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.435 -0.062 1.098 1.00 0.00 C ATOM 1094 C VAL A 67 -11.390 -1.141 0.002 1.00 0.00 C ATOM 1095 O VAL A 67 -10.336 -1.737 -0.244 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.864 -0.707 2.474 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.848 -1.781 2.958 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.063 0.389 3.543 1.00 0.00 C ATOM 0 H VAL A 67 -13.145 1.151 1.319 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.438 0.361 1.222 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.814 -1.218 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.184 -2.197 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.779 -2.577 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.868 -1.322 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.359 -0.072 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.130 0.935 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.841 1.079 3.216 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.548 -1.363 -0.665 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.674 -2.296 -1.803 1.00 0.00 C ATOM 1110 C ASP A 68 -11.712 -1.912 -2.926 1.00 0.00 C ATOM 1111 O ASP A 68 -10.959 -2.756 -3.424 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.139 -2.306 -2.331 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.327 -3.142 -3.617 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.497 -4.378 -3.521 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.281 -2.572 -4.731 1.00 0.00 O ATOM 0 H ASP A 68 -13.423 -0.896 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.416 -3.297 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.794 -2.699 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.454 -1.281 -2.525 1.00 0.00 H new ATOM 1120 N THR A 69 -11.752 -0.622 -3.300 1.00 0.00 N ATOM 1121 CA THR A 69 -10.934 -0.075 -4.383 1.00 0.00 C ATOM 1122 C THR A 69 -9.434 -0.215 -4.067 1.00 0.00 C ATOM 1123 O THR A 69 -8.665 -0.669 -4.922 1.00 0.00 O ATOM 1124 CB THR A 69 -11.287 1.415 -4.658 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.700 1.541 -4.881 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.537 1.981 -5.874 1.00 0.00 C ATOM 0 H THR A 69 -12.356 0.069 -2.855 1.00 0.00 H new ATOM 0 HA THR A 69 -11.154 -0.651 -5.282 1.00 0.00 H new ATOM 0 HB THR A 69 -10.981 1.986 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.938 2.490 -4.941 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.819 3.023 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.463 1.917 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.797 1.405 -6.762 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.043 0.140 -2.822 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.660 -0.018 -2.334 1.00 0.00 C ATOM 1136 C PHE A 70 -7.173 -1.469 -2.513 1.00 0.00 C ATOM 1137 O PHE A 70 -6.109 -1.703 -3.089 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.558 0.405 -0.838 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.250 -0.014 -0.153 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.027 0.510 -0.564 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.247 -0.965 0.876 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.848 0.099 0.024 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.069 -1.368 1.468 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.871 -0.840 1.040 1.00 0.00 C ATOM 0 H PHE A 70 -9.677 0.542 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.017 0.633 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.659 1.488 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.396 -0.028 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.001 1.247 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.182 -1.389 1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.907 0.511 -0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.085 -2.096 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.947 -1.160 1.499 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.981 -2.416 -2.027 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.635 -3.841 -1.998 1.00 0.00 C ATOM 1156 C GLU A 71 -7.486 -4.436 -3.403 1.00 0.00 C ATOM 1157 O GLU A 71 -6.470 -5.077 -3.699 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.696 -4.622 -1.177 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.556 -4.470 0.342 1.00 0.00 C ATOM 1160 CD GLU A 71 -7.280 -5.138 0.875 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -7.214 -6.385 0.851 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -6.351 -4.438 1.328 1.00 0.00 O ATOM 0 H GLU A 71 -8.902 -2.213 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.662 -3.936 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.689 -4.284 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.629 -5.680 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.545 -3.411 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.426 -4.909 0.831 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.495 -4.222 -4.263 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.518 -4.825 -5.610 1.00 0.00 C ATOM 1171 C ARG A 72 -7.398 -4.252 -6.490 1.00 0.00 C ATOM 1172 O ARG A 72 -6.789 -4.987 -7.280 1.00 0.00 O ATOM 1173 CB ARG A 72 -9.892 -4.662 -6.293 1.00 0.00 C ATOM 1174 CG ARG A 72 -10.324 -3.210 -6.606 1.00 0.00 C ATOM 1175 CD ARG A 72 -11.637 -3.154 -7.395 1.00 0.00 C ATOM 1176 NE ARG A 72 -11.510 -3.844 -8.695 1.00 0.00 N ATOM 1177 CZ ARG A 72 -12.524 -4.229 -9.485 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -13.795 -3.994 -9.143 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -12.250 -4.851 -10.619 1.00 0.00 N ATOM 0 H ARG A 72 -9.304 -3.638 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.343 -5.894 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.882 -5.226 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.650 -5.116 -5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.439 -2.658 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.538 -2.714 -7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.434 -3.615 -6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.922 -2.115 -7.558 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.565 -4.046 -9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.007 -3.514 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.552 -4.294 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.281 -5.031 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.008 -5.151 -11.232 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.109 -2.949 -6.327 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.009 -2.295 -7.046 1.00 0.00 C ATOM 1195 C ASN A 73 -4.670 -2.807 -6.538 1.00 0.00 C ATOM 1196 O ASN A 73 -3.789 -3.091 -7.330 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.070 -0.750 -6.940 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.301 -0.137 -7.610 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -7.898 -0.728 -8.512 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.665 1.060 -7.192 1.00 0.00 N ATOM 0 H ASN A 73 -7.625 -2.330 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.117 -2.549 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.060 -0.466 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.173 -0.328 -7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.465 1.527 -7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.146 1.518 -6.443 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.548 -2.949 -5.210 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.312 -3.403 -4.565 1.00 0.00 C ATOM 1209 C LEU A 74 -2.908 -4.808 -5.058 1.00 0.00 C ATOM 1210 O LEU A 74 -1.791 -4.992 -5.533 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.457 -3.387 -3.018 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.143 -3.618 -2.210 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.106 -2.514 -2.507 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.420 -3.736 -0.697 1.00 0.00 C ATOM 0 H LEU A 74 -5.305 -2.752 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.519 -2.708 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.879 -2.427 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.177 -4.154 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.720 -4.568 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.200 -2.701 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.866 -2.517 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.518 -1.544 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.481 -3.896 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.886 -2.818 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.088 -4.577 -0.514 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.841 -5.777 -4.974 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.581 -7.185 -5.358 1.00 0.00 C ATOM 1228 C GLU A 75 -3.239 -7.318 -6.870 1.00 0.00 C ATOM 1229 O GLU A 75 -2.310 -8.053 -7.232 1.00 0.00 O ATOM 1230 CB GLU A 75 -4.776 -8.104 -4.975 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.115 -7.782 -5.680 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.288 -8.714 -5.329 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.070 -9.785 -4.720 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -8.439 -8.389 -5.691 1.00 0.00 O ATOM 0 H GLU A 75 -4.791 -5.611 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.708 -7.515 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.505 -9.136 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.929 -8.043 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.399 -6.759 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.956 -7.817 -6.758 1.00 0.00 H new ATOM 1241 N THR A 76 -3.979 -6.578 -7.725 1.00 0.00 N ATOM 1242 CA THR A 76 -3.785 -6.592 -9.193 1.00 0.00 C ATOM 1243 C THR A 76 -2.423 -5.977 -9.578 1.00 0.00 C ATOM 1244 O THR A 76 -1.624 -6.598 -10.275 1.00 0.00 O ATOM 1245 CB THR A 76 -4.946 -5.820 -9.905 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.209 -6.425 -9.574 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.803 -5.786 -11.437 1.00 0.00 C ATOM 0 H THR A 76 -4.726 -5.955 -7.418 1.00 0.00 H new ATOM 0 HA THR A 76 -3.796 -7.631 -9.524 1.00 0.00 H new ATOM 0 HB THR A 76 -4.896 -4.792 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.563 -6.017 -8.757 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.640 -5.236 -11.868 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.868 -5.293 -11.704 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.800 -6.805 -11.825 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.208 -4.734 -9.107 1.00 0.00 N ATOM 1256 CA LEU A 77 -0.951 -3.966 -9.269 1.00 0.00 C ATOM 1257 C LEU A 77 0.291 -4.758 -8.816 1.00 0.00 C ATOM 1258 O LEU A 77 1.330 -4.726 -9.485 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.068 -2.650 -8.472 1.00 0.00 C ATOM 1260 CG LEU A 77 0.132 -1.669 -8.530 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.403 -1.170 -9.971 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.105 -0.509 -7.554 1.00 0.00 C ATOM 0 H LEU A 77 -2.920 -4.219 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.815 -3.759 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.953 -2.120 -8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.245 -2.904 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 77 1.032 -2.202 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.251 -0.486 -9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.627 -2.021 -10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.479 -0.652 -10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.739 0.180 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.018 0.019 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.205 -0.900 -6.541 1.00 0.00 H new ATOM 1274 N GLN A 78 0.167 -5.484 -7.684 1.00 0.00 N ATOM 1275 CA GLN A 78 1.245 -6.363 -7.185 1.00 0.00 C ATOM 1276 C GLN A 78 1.512 -7.504 -8.179 1.00 0.00 C ATOM 1277 O GLN A 78 2.656 -7.768 -8.503 1.00 0.00 O ATOM 1278 CB GLN A 78 0.920 -6.917 -5.772 1.00 0.00 C ATOM 1279 CG GLN A 78 1.025 -5.868 -4.641 1.00 0.00 C ATOM 1280 CD GLN A 78 0.707 -6.446 -3.261 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.600 -6.876 -2.530 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.571 -6.497 -2.918 1.00 0.00 N ATOM 0 H GLN A 78 -0.669 -5.478 -7.099 1.00 0.00 H new ATOM 0 HA GLN A 78 2.152 -5.765 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.089 -7.328 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.599 -7.741 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.032 -5.451 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.342 -5.045 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.284 -6.131 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.843 -6.902 -2.022 1.00 0.00 H new ATOM 1291 N GLN A 79 0.436 -8.106 -8.720 1.00 0.00 N ATOM 1292 CA GLN A 79 0.544 -9.180 -9.734 1.00 0.00 C ATOM 1293 C GLN A 79 1.203 -8.676 -11.033 1.00 0.00 C ATOM 1294 O GLN A 79 1.915 -9.433 -11.696 1.00 0.00 O ATOM 1295 CB GLN A 79 -0.844 -9.803 -10.031 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.361 -10.755 -8.932 1.00 0.00 C ATOM 1297 CD GLN A 79 -0.509 -12.018 -8.793 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -0.766 -13.030 -9.447 1.00 0.00 O ATOM 1299 NE2 GLN A 79 0.499 -11.970 -7.953 1.00 0.00 N ATOM 0 H GLN A 79 -0.524 -7.867 -8.472 1.00 0.00 H new ATOM 0 HA GLN A 79 1.188 -9.954 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.568 -9.000 -10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.790 -10.349 -10.973 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.378 -10.227 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.389 -11.039 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.684 -11.116 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.097 -12.787 -7.827 1.00 0.00 H new ATOM 1308 N GLU A 80 0.981 -7.392 -11.365 1.00 0.00 N ATOM 1309 CA GLU A 80 1.658 -6.722 -12.492 1.00 0.00 C ATOM 1310 C GLU A 80 3.175 -6.633 -12.229 1.00 0.00 C ATOM 1311 O GLU A 80 3.982 -6.823 -13.145 1.00 0.00 O ATOM 1312 CB GLU A 80 1.060 -5.309 -12.724 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.447 -5.288 -13.052 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.808 -5.996 -14.369 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.811 -5.336 -15.432 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.089 -7.214 -14.356 1.00 0.00 O ATOM 0 H GLU A 80 0.329 -6.790 -10.862 1.00 0.00 H new ATOM 0 HA GLU A 80 1.498 -7.313 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.231 -4.707 -11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.601 -4.831 -13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.993 -5.760 -12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.783 -4.252 -13.104 1.00 0.00 H new ATOM 1323 N LEU A 81 3.537 -6.374 -10.956 1.00 0.00 N ATOM 1324 CA LEU A 81 4.942 -6.312 -10.504 1.00 0.00 C ATOM 1325 C LEU A 81 5.537 -7.735 -10.311 1.00 0.00 C ATOM 1326 O LEU A 81 6.756 -7.885 -10.217 1.00 0.00 O ATOM 1327 CB LEU A 81 5.040 -5.494 -9.177 1.00 0.00 C ATOM 1328 CG LEU A 81 4.528 -4.012 -9.224 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.601 -3.344 -7.828 1.00 0.00 C ATOM 1330 CD2 LEU A 81 5.285 -3.186 -10.290 1.00 0.00 C ATOM 0 H LEU A 81 2.862 -6.202 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 81 5.526 -5.811 -11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.478 -6.024 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.083 -5.484 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 81 3.479 -4.037 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.239 -2.318 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.982 -3.901 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.634 -3.342 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.905 -2.164 -10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.349 -3.176 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.135 -3.634 -11.272 1.00 0.00 H new ATOM 1342 N GLY A 82 4.669 -8.775 -10.284 1.00 0.00 N ATOM 1343 CA GLY A 82 5.091 -10.162 -10.026 1.00 0.00 C ATOM 1344 C GLY A 82 5.225 -10.482 -8.536 1.00 0.00 C ATOM 1345 O GLY A 82 5.922 -11.425 -8.160 1.00 0.00 O ATOM 0 H GLY A 82 3.666 -8.672 -10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.369 -10.844 -10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.047 -10.342 -10.517 1.00 0.00 H new ATOM 1349 N ILE A 83 4.547 -9.679 -7.703 1.00 0.00 N ATOM 1350 CA ILE A 83 4.514 -9.802 -6.233 1.00 0.00 C ATOM 1351 C ILE A 83 3.285 -10.637 -5.794 1.00 0.00 C ATOM 1352 O ILE A 83 2.156 -10.353 -6.221 1.00 0.00 O ATOM 1353 CB ILE A 83 4.417 -8.364 -5.580 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.694 -7.514 -5.869 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.130 -8.430 -4.067 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.637 -6.082 -5.338 1.00 0.00 C ATOM 0 H ILE A 83 3.986 -8.898 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 83 5.427 -10.299 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 83 3.569 -7.866 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.556 -8.016 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.858 -7.482 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.072 -7.419 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.183 -8.943 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.931 -8.975 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.565 -5.566 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.798 -5.558 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.507 -6.100 -4.256 1.00 0.00 H new ATOM 1368 N GLU A 84 3.523 -11.628 -4.906 1.00 0.00 N ATOM 1369 CA GLU A 84 2.462 -12.465 -4.291 1.00 0.00 C ATOM 1370 C GLU A 84 3.043 -13.249 -3.101 1.00 0.00 C ATOM 1371 O GLU A 84 4.265 -13.364 -2.975 1.00 0.00 O ATOM 1372 CB GLU A 84 1.850 -13.429 -5.335 1.00 0.00 C ATOM 1373 CG GLU A 84 2.860 -14.383 -5.986 1.00 0.00 C ATOM 1374 CD GLU A 84 2.318 -15.036 -7.258 1.00 0.00 C ATOM 1375 OE1 GLU A 84 2.434 -14.422 -8.338 1.00 0.00 O ATOM 1376 OE2 GLU A 84 1.755 -16.149 -7.186 1.00 0.00 O ATOM 0 H GLU A 84 4.462 -11.873 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 84 1.665 -11.815 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.070 -14.019 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.369 -12.841 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.771 -13.834 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.133 -15.160 -5.272 1.00 0.00 H new ATOM 1383 N GLY A 85 2.148 -13.726 -2.215 1.00 0.00 N ATOM 1384 CA GLY A 85 2.509 -14.602 -1.094 1.00 0.00 C ATOM 1385 C GLY A 85 3.599 -14.046 -0.173 1.00 0.00 C ATOM 1386 O GLY A 85 3.315 -13.285 0.755 1.00 0.00 O ATOM 0 H GLY A 85 1.152 -13.511 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.616 -14.797 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.843 -15.560 -1.492 1.00 0.00 H new ATOM 1390 N GLU A 86 4.852 -14.413 -0.484 1.00 0.00 N ATOM 1391 CA GLU A 86 6.037 -14.123 0.349 1.00 0.00 C ATOM 1392 C GLU A 86 6.360 -12.621 0.327 1.00 0.00 C ATOM 1393 O GLU A 86 6.586 -11.998 1.371 1.00 0.00 O ATOM 1394 CB GLU A 86 7.286 -14.912 -0.161 1.00 0.00 C ATOM 1395 CG GLU A 86 7.107 -16.442 -0.335 1.00 0.00 C ATOM 1396 CD GLU A 86 6.434 -16.846 -1.663 1.00 0.00 C ATOM 1397 OE1 GLU A 86 7.143 -16.945 -2.693 1.00 0.00 O ATOM 1398 OE2 GLU A 86 5.197 -17.053 -1.689 1.00 0.00 O ATOM 0 H GLU A 86 5.077 -14.928 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 86 5.804 -14.434 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.588 -14.492 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.107 -14.740 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.084 -16.921 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.512 -16.825 0.494 1.00 0.00 H new ATOM 1405 N ASN A 87 6.349 -12.058 -0.887 1.00 0.00 N ATOM 1406 CA ASN A 87 6.738 -10.651 -1.139 1.00 0.00 C ATOM 1407 C ASN A 87 5.522 -9.718 -1.092 1.00 0.00 C ATOM 1408 O ASN A 87 5.675 -8.499 -1.185 1.00 0.00 O ATOM 1409 CB ASN A 87 7.480 -10.532 -2.513 1.00 0.00 C ATOM 1410 CG ASN A 87 8.958 -10.958 -2.444 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.849 -10.120 -2.291 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.228 -12.254 -2.514 1.00 0.00 N ATOM 0 H ASN A 87 6.070 -12.561 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 87 7.419 -10.340 -0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.965 -11.148 -3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.422 -9.501 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.192 -12.579 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.472 -12.926 -2.641 1.00 0.00 H new ATOM 1419 N ARG A 88 4.316 -10.296 -0.941 1.00 0.00 N ATOM 1420 CA ARG A 88 3.057 -9.534 -0.904 1.00 0.00 C ATOM 1421 C ARG A 88 2.971 -8.736 0.396 1.00 0.00 C ATOM 1422 O ARG A 88 3.151 -9.297 1.480 1.00 0.00 O ATOM 1423 CB ARG A 88 1.865 -10.495 -1.083 1.00 0.00 C ATOM 1424 CG ARG A 88 0.474 -9.838 -1.200 1.00 0.00 C ATOM 1425 CD ARG A 88 -0.587 -10.840 -1.679 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.542 -12.082 -0.902 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.247 -13.207 -1.166 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -2.077 -13.275 -2.211 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.117 -14.262 -0.372 1.00 0.00 N ATOM 0 H ARG A 88 4.188 -11.303 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 88 3.027 -8.818 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.038 -11.093 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.849 -11.183 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.181 -9.432 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.524 -9.000 -1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.577 -10.392 -1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.428 -11.064 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 88 0.075 -12.100 -0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.188 -12.470 -2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.599 -14.132 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.489 -14.222 0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.645 -15.113 -0.564 1.00 0.00 H new ATOM 1443 N VAL A 89 2.703 -7.425 0.262 1.00 0.00 N ATOM 1444 CA VAL A 89 2.778 -6.460 1.365 1.00 0.00 C ATOM 1445 C VAL A 89 1.701 -6.757 2.440 1.00 0.00 C ATOM 1446 O VAL A 89 0.510 -6.670 2.141 1.00 0.00 O ATOM 1447 CB VAL A 89 2.617 -4.988 0.826 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.731 -3.957 1.968 1.00 0.00 C ATOM 1449 CG2 VAL A 89 3.645 -4.703 -0.295 1.00 0.00 C ATOM 0 H VAL A 89 2.426 -7.005 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 89 3.760 -6.558 1.828 1.00 0.00 H new ATOM 0 HB VAL A 89 1.618 -4.891 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.616 -2.952 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.950 -4.143 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.708 -4.047 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.518 -3.682 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.655 -4.827 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.488 -5.399 -1.119 1.00 0.00 H new ATOM 1459 N PRO A 90 2.110 -7.167 3.689 1.00 0.00 N ATOM 1460 CA PRO A 90 1.174 -7.401 4.825 1.00 0.00 C ATOM 1461 C PRO A 90 0.280 -6.179 5.120 1.00 0.00 C ATOM 1462 O PRO A 90 0.780 -5.087 5.361 1.00 0.00 O ATOM 1463 CB PRO A 90 2.130 -7.705 6.013 1.00 0.00 C ATOM 1464 CG PRO A 90 3.357 -8.269 5.362 1.00 0.00 C ATOM 1465 CD PRO A 90 3.514 -7.481 4.087 1.00 0.00 C ATOM 0 HA PRO A 90 0.467 -8.205 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.359 -6.803 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.686 -8.416 6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.231 -8.160 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.242 -9.333 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.097 -6.574 4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.028 -8.060 3.319 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.039 -6.371 5.076 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.018 -5.304 5.344 1.00 0.00 C ATOM 1475 C VAL A 91 -2.582 -5.495 6.762 1.00 0.00 C ATOM 1476 O VAL A 91 -3.137 -6.555 7.075 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.170 -5.297 4.266 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.243 -4.231 4.577 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.582 -5.095 2.848 1.00 0.00 C ATOM 0 H VAL A 91 -1.465 -7.271 4.854 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.522 -4.335 5.279 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.664 -6.268 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.017 -4.260 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.688 -4.436 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.782 -3.243 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.390 -5.093 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.052 -4.144 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.890 -5.906 2.622 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.415 -4.467 7.620 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.779 -4.525 9.042 1.00 0.00 C ATOM 1491 C VAL A 92 -3.854 -3.459 9.322 1.00 0.00 C ATOM 1492 O VAL A 92 -3.530 -2.281 9.479 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.521 -4.283 9.976 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.874 -4.458 11.477 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.333 -5.188 9.564 1.00 0.00 C ATOM 0 H VAL A 92 -2.021 -3.569 7.339 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.165 -5.520 9.264 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.211 -3.247 9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.985 -4.284 12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.648 -3.743 11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.238 -5.471 11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.514 -4.999 10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.628 -6.234 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.048 -4.969 8.535 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.129 -3.873 9.332 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.248 -2.988 9.683 1.00 0.00 C ATOM 1507 C TYR A 93 -6.219 -2.696 11.190 1.00 0.00 C ATOM 1508 O TYR A 93 -6.319 -3.617 12.005 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.601 -3.631 9.287 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.746 -3.940 7.789 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.007 -2.926 6.870 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.631 -5.246 7.299 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.144 -3.199 5.522 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.766 -5.519 5.954 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.024 -4.495 5.072 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.174 -4.777 3.741 1.00 0.00 O ATOM 0 H TYR A 93 -5.412 -4.825 9.099 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.143 -2.053 9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.728 -4.556 9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.408 -2.962 9.587 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.104 -1.908 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.433 -6.055 7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.344 -2.399 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.670 -6.533 5.594 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.057 -5.739 3.595 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.051 -1.419 11.546 1.00 0.00 N ATOM 1527 CA ILE A 94 -5.995 -0.970 12.948 1.00 0.00 C ATOM 1528 C ILE A 94 -7.286 -0.198 13.265 1.00 0.00 C ATOM 1529 O ILE A 94 -7.804 0.515 12.402 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.743 -0.044 13.182 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.433 -0.745 12.691 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.620 0.379 14.670 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.196 0.124 12.743 1.00 0.00 C ATOM 0 H ILE A 94 -5.949 -0.662 10.870 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.904 -1.835 13.605 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.887 0.862 12.593 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.262 -1.634 13.299 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.580 -1.084 11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.745 1.017 14.796 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.514 0.926 14.968 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.514 -0.509 15.293 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.337 -0.444 12.385 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.340 1.001 12.112 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.018 0.442 13.770 1.00 0.00 H new