USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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 58 MET CE :methyl 166:sc= -0.0321 (180deg=-0.518) USER MOD Set 1.2: A 61 CYS SG : rot -13:sc= -2.23 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 163:sc= 0.081 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -144:sc= -2.2 (180deg=-4.26!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0558 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.8!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0853 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 149:sc= -0.0293 (180deg=-0.337) USER MOD Single : A 63 GLN : amide:sc= -0.277 K(o=-0.28,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= -0.494 (180deg=-1.6!) USER MOD Single : A 70 GLN : amide:sc= -7.48! C(o=-7.5!,f=-16!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.4!) USER MOD Single : A 80 THR OG1 : rot 82:sc= -0.875! USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= -1.03 (180deg=-1.54!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 52:sc= -0.185 USER MOD Single : A 87 GLN : amide:sc= -8.21! C(o=-8.2!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 6.048 5.585 2.952 1.00 0.00 N ATOM 200 CA LYS A 16 5.103 4.627 3.512 1.00 0.00 C ATOM 201 C LYS A 16 5.830 3.548 4.308 1.00 0.00 C ATOM 202 O LYS A 16 6.698 2.852 3.781 1.00 0.00 O ATOM 203 CB LYS A 16 4.277 3.982 2.396 1.00 0.00 C ATOM 204 CG LYS A 16 3.372 2.862 2.878 1.00 0.00 C ATOM 205 CD LYS A 16 2.041 3.396 3.378 1.00 0.00 C ATOM 206 CE LYS A 16 2.093 3.724 4.862 1.00 0.00 C ATOM 207 NZ LYS A 16 0.732 3.882 5.444 1.00 0.00 N ATOM 0 HA LYS A 16 4.436 5.164 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.668 4.749 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.953 3.590 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.200 2.157 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.868 2.311 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.773 4.291 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.260 2.658 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.624 2.932 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.660 4.643 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.811 4.105 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.234 4.654 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.199 2.997 5.325 1.00 0.00 H new ATOM 221 N ASP A 17 5.468 3.413 5.580 1.00 0.00 N ATOM 222 CA ASP A 17 6.084 2.416 6.448 1.00 0.00 C ATOM 223 C ASP A 17 5.634 1.010 6.066 1.00 0.00 C ATOM 224 O ASP A 17 4.474 0.792 5.717 1.00 0.00 O ATOM 225 CB ASP A 17 5.734 2.697 7.910 1.00 0.00 C ATOM 226 CG ASP A 17 6.801 2.201 8.866 1.00 0.00 C ATOM 227 OD1 ASP A 17 7.195 1.022 8.755 1.00 0.00 O ATOM 228 OD2 ASP A 17 7.241 2.993 9.727 1.00 0.00 O ATOM 0 H ASP A 17 4.752 3.981 6.032 1.00 0.00 H new ATOM 0 HA ASP A 17 7.165 2.478 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.597 3.769 8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.784 2.220 8.151 1.00 0.00 H new ATOM 233 N TRP A 18 6.560 0.060 6.132 1.00 0.00 N ATOM 234 CA TRP A 18 6.259 -1.326 5.791 1.00 0.00 C ATOM 235 C TRP A 18 6.395 -2.229 7.013 1.00 0.00 C ATOM 236 O TRP A 18 5.555 -3.096 7.252 1.00 0.00 O ATOM 237 CB TRP A 18 7.186 -1.812 4.676 1.00 0.00 C ATOM 238 CG TRP A 18 7.146 -0.949 3.452 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.207 -0.343 2.841 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.986 -0.594 2.692 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.776 0.367 1.746 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.418 0.229 1.632 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.625 -0.892 2.801 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.536 0.755 0.692 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.751 -0.368 1.867 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.209 0.447 0.824 1.00 0.00 C ATOM 0 H TRP A 18 7.525 0.224 6.418 1.00 0.00 H new ATOM 0 HA TRP A 18 5.228 -1.372 5.441 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.208 -1.848 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.911 -2.831 4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.233 -0.412 3.170 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.371 0.909 1.120 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.262 -1.521 3.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.887 1.384 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.697 -0.591 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.501 0.840 0.110 1.00 0.00 H new ATOM 257 N TYR A 19 7.458 -2.019 7.782 1.00 0.00 N ATOM 258 CA TYR A 19 7.705 -2.817 8.977 1.00 0.00 C ATOM 259 C TYR A 19 6.523 -2.737 9.939 1.00 0.00 C ATOM 260 O TYR A 19 6.424 -3.518 10.885 1.00 0.00 O ATOM 261 CB TYR A 19 8.980 -2.342 9.677 1.00 0.00 C ATOM 262 CG TYR A 19 10.250 -2.766 8.975 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.562 -4.110 8.812 1.00 0.00 C ATOM 264 CD2 TYR A 19 11.137 -1.822 8.473 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.722 -4.501 8.172 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.298 -2.204 7.829 1.00 0.00 C ATOM 267 CZ TYR A 19 12.586 -3.545 7.682 1.00 0.00 C ATOM 268 OH TYR A 19 13.742 -3.931 7.042 1.00 0.00 O ATOM 0 H TYR A 19 8.162 -1.304 7.599 1.00 0.00 H new ATOM 0 HA TYR A 19 7.831 -3.855 8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.961 -1.255 9.750 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.991 -2.730 10.696 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.886 -4.862 9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.915 -0.771 8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.951 -5.550 8.056 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.976 -1.457 7.443 1.00 0.00 H new ATOM 0 HH TYR A 19 14.098 -3.177 6.527 1.00 0.00 H new ATOM 278 N SER A 20 5.628 -1.786 9.689 1.00 0.00 N ATOM 279 CA SER A 20 4.454 -1.601 10.533 1.00 0.00 C ATOM 280 C SER A 20 3.233 -2.283 9.923 1.00 0.00 C ATOM 281 O SER A 20 2.397 -2.837 10.637 1.00 0.00 O ATOM 282 CB SER A 20 4.173 -0.110 10.731 1.00 0.00 C ATOM 283 OG SER A 20 5.239 0.523 11.418 1.00 0.00 O ATOM 0 H SER A 20 5.694 -1.132 8.909 1.00 0.00 H new ATOM 0 HA SER A 20 4.658 -2.058 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.026 0.367 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.248 0.017 11.293 1.00 0.00 H new ATOM 0 HG SER A 20 5.036 1.475 11.530 1.00 0.00 H new ATOM 289 N ILE A 21 3.138 -2.237 8.599 1.00 0.00 N ATOM 290 CA ILE A 21 2.020 -2.852 7.892 1.00 0.00 C ATOM 291 C ILE A 21 2.048 -4.370 8.035 1.00 0.00 C ATOM 292 O ILE A 21 1.002 -5.017 8.105 1.00 0.00 O ATOM 293 CB ILE A 21 2.032 -2.488 6.396 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.951 -0.970 6.217 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.881 -3.174 5.675 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.895 -0.534 4.770 1.00 0.00 C ATOM 0 H ILE A 21 3.821 -1.781 7.994 1.00 0.00 H new ATOM 0 HA ILE A 21 1.108 -2.464 8.345 1.00 0.00 H new ATOM 0 HB ILE A 21 2.968 -2.837 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.067 -0.598 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.816 -0.509 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.903 -2.907 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.979 -4.255 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.065 -2.852 6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.839 0.553 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.791 -0.875 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.014 -0.965 4.294 1.00 0.00 H new ATOM 308 N LEU A 22 3.250 -4.933 8.078 1.00 0.00 N ATOM 309 CA LEU A 22 3.415 -6.376 8.215 1.00 0.00 C ATOM 310 C LEU A 22 3.580 -6.769 9.679 1.00 0.00 C ATOM 311 O LEU A 22 3.769 -7.941 10.000 1.00 0.00 O ATOM 312 CB LEU A 22 4.625 -6.850 7.408 1.00 0.00 C ATOM 313 CG LEU A 22 4.584 -6.562 5.906 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.955 -6.778 5.284 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.542 -7.437 5.224 1.00 0.00 C ATOM 0 H LEU A 22 4.125 -4.412 8.020 1.00 0.00 H new ATOM 0 HA LEU A 22 2.517 -6.858 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.519 -6.384 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.732 -7.926 7.549 1.00 0.00 H new ATOM 0 HG LEU A 22 4.303 -5.519 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.907 -6.569 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.677 -6.109 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.265 -7.812 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.526 -7.219 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.792 -8.487 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.560 -7.233 5.650 1.00 0.00 H new ATOM 327 N GLY A 23 3.506 -5.780 10.564 1.00 0.00 N ATOM 328 CA GLY A 23 3.648 -6.043 11.985 1.00 0.00 C ATOM 329 C GLY A 23 4.989 -6.660 12.329 1.00 0.00 C ATOM 330 O GLY A 23 5.066 -7.575 13.148 1.00 0.00 O ATOM 0 H GLY A 23 3.350 -4.801 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.528 -5.111 12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.850 -6.711 12.309 1.00 0.00 H new ATOM 334 N ALA A 24 6.048 -6.160 11.700 1.00 0.00 N ATOM 335 CA ALA A 24 7.392 -6.668 11.945 1.00 0.00 C ATOM 336 C ALA A 24 8.325 -5.554 12.405 1.00 0.00 C ATOM 337 O ALA A 24 7.909 -4.405 12.556 1.00 0.00 O ATOM 338 CB ALA A 24 7.940 -7.335 10.692 1.00 0.00 C ATOM 0 H ALA A 24 6.001 -5.404 11.017 1.00 0.00 H new ATOM 0 HA ALA A 24 7.334 -7.409 12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.944 -7.710 10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.292 -8.164 10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.977 -6.609 9.880 1.00 0.00 H new ATOM 344 N ASP A 25 9.588 -5.900 12.626 1.00 0.00 N ATOM 345 CA ASP A 25 10.581 -4.928 13.069 1.00 0.00 C ATOM 346 C ASP A 25 11.628 -4.689 11.985 1.00 0.00 C ATOM 347 O ASP A 25 11.872 -5.536 11.125 1.00 0.00 O ATOM 348 CB ASP A 25 11.259 -5.408 14.353 1.00 0.00 C ATOM 349 CG ASP A 25 10.444 -5.091 15.591 1.00 0.00 C ATOM 350 OD1 ASP A 25 10.016 -3.927 15.738 1.00 0.00 O ATOM 351 OD2 ASP A 25 10.233 -6.007 16.413 1.00 0.00 O ATOM 0 H ASP A 25 9.949 -6.846 12.506 1.00 0.00 H new ATOM 0 HA ASP A 25 10.068 -3.987 13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.421 -6.484 14.294 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.241 -4.942 14.438 1.00 0.00 H new ATOM 356 N PRO A 26 12.262 -3.507 12.025 1.00 0.00 N ATOM 357 CA PRO A 26 13.293 -3.129 11.053 1.00 0.00 C ATOM 358 C PRO A 26 14.576 -3.934 11.226 1.00 0.00 C ATOM 359 O PRO A 26 15.422 -3.972 10.333 1.00 0.00 O ATOM 360 CB PRO A 26 13.544 -1.650 11.360 1.00 0.00 C ATOM 361 CG PRO A 26 13.155 -1.489 12.790 1.00 0.00 C ATOM 362 CD PRO A 26 12.022 -2.450 13.022 1.00 0.00 C ATOM 0 HA PRO A 26 12.975 -3.318 10.028 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.589 -1.385 11.202 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.950 -1.005 10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.994 -1.709 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.846 -0.464 12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.032 -2.846 14.038 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.053 -1.972 12.876 1.00 0.00 H new ATOM 370 N SER A 27 14.714 -4.578 12.381 1.00 0.00 N ATOM 371 CA SER A 27 15.897 -5.380 12.672 1.00 0.00 C ATOM 372 C SER A 27 15.619 -6.862 12.438 1.00 0.00 C ATOM 373 O SER A 27 16.465 -7.714 12.709 1.00 0.00 O ATOM 374 CB SER A 27 16.348 -5.156 14.116 1.00 0.00 C ATOM 375 OG SER A 27 15.551 -5.900 15.021 1.00 0.00 O ATOM 0 H SER A 27 14.022 -4.560 13.130 1.00 0.00 H new ATOM 0 HA SER A 27 16.694 -5.066 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.393 -5.447 14.223 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.286 -4.095 14.359 1.00 0.00 H new ATOM 0 HG SER A 27 15.861 -5.741 15.937 1.00 0.00 H new ATOM 381 N ALA A 28 14.426 -7.161 11.933 1.00 0.00 N ATOM 382 CA ALA A 28 14.036 -8.539 11.661 1.00 0.00 C ATOM 383 C ALA A 28 14.741 -9.073 10.418 1.00 0.00 C ATOM 384 O ALA A 28 15.254 -8.305 9.606 1.00 0.00 O ATOM 385 CB ALA A 28 12.527 -8.638 11.498 1.00 0.00 C ATOM 0 H ALA A 28 13.714 -6.468 11.704 1.00 0.00 H new ATOM 0 HA ALA A 28 14.339 -9.151 12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.250 -9.673 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.039 -8.305 12.414 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.209 -8.008 10.668 1.00 0.00 H new ATOM 391 N ASN A 29 14.761 -10.395 10.278 1.00 0.00 N ATOM 392 CA ASN A 29 15.404 -11.032 9.134 1.00 0.00 C ATOM 393 C ASN A 29 14.375 -11.415 8.075 1.00 0.00 C ATOM 394 O ASN A 29 13.174 -11.433 8.341 1.00 0.00 O ATOM 395 CB ASN A 29 16.177 -12.274 9.583 1.00 0.00 C ATOM 396 CG ASN A 29 17.539 -11.932 10.156 1.00 0.00 C ATOM 397 OD1 ASN A 29 18.553 -12.008 9.461 1.00 0.00 O ATOM 398 ND2 ASN A 29 17.568 -11.554 11.428 1.00 0.00 N ATOM 0 H ASN A 29 14.340 -11.045 10.942 1.00 0.00 H new ATOM 0 HA ASN A 29 16.101 -10.317 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.595 -12.810 10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.301 -12.947 8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.456 -11.312 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.702 -11.506 11.965 1.00 0.00 H new ATOM 405 N MET A 30 14.856 -11.721 6.874 1.00 0.00 N ATOM 406 CA MET A 30 13.977 -12.106 5.776 1.00 0.00 C ATOM 407 C MET A 30 12.968 -13.156 6.228 1.00 0.00 C ATOM 408 O MET A 30 11.761 -12.912 6.225 1.00 0.00 O ATOM 409 CB MET A 30 14.798 -12.643 4.602 1.00 0.00 C ATOM 410 CG MET A 30 15.232 -11.567 3.620 1.00 0.00 C ATOM 411 SD MET A 30 13.986 -11.236 2.359 1.00 0.00 S ATOM 412 CE MET A 30 13.614 -9.516 2.695 1.00 0.00 C ATOM 0 H MET A 30 15.848 -11.710 6.637 1.00 0.00 H new ATOM 0 HA MET A 30 13.431 -11.219 5.454 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.683 -13.148 4.989 1.00 0.00 H new ATOM 0 HB3 MET A 30 14.210 -13.392 4.071 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.445 -10.647 4.165 1.00 0.00 H new ATOM 0 HG3 MET A 30 16.160 -11.874 3.137 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.553 -9.334 2.526 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.861 -9.286 3.731 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.201 -8.881 2.032 1.00 0.00 H new ATOM 422 N SER A 31 13.469 -14.323 6.617 1.00 0.00 N ATOM 423 CA SER A 31 12.610 -15.412 7.069 1.00 0.00 C ATOM 424 C SER A 31 11.466 -14.881 7.926 1.00 0.00 C ATOM 425 O SER A 31 10.295 -15.007 7.565 1.00 0.00 O ATOM 426 CB SER A 31 13.424 -16.436 7.863 1.00 0.00 C ATOM 427 OG SER A 31 14.354 -17.105 7.029 1.00 0.00 O ATOM 0 H SER A 31 14.466 -14.540 6.629 1.00 0.00 H new ATOM 0 HA SER A 31 12.187 -15.897 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.953 -15.935 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.753 -17.163 8.321 1.00 0.00 H new ATOM 0 HG SER A 31 14.863 -17.753 7.560 1.00 0.00 H new ATOM 433 N ASP A 32 11.812 -14.286 9.062 1.00 0.00 N ATOM 434 CA ASP A 32 10.815 -13.734 9.972 1.00 0.00 C ATOM 435 C ASP A 32 9.793 -12.894 9.212 1.00 0.00 C ATOM 436 O ASP A 32 8.642 -13.300 9.045 1.00 0.00 O ATOM 437 CB ASP A 32 11.491 -12.886 11.050 1.00 0.00 C ATOM 438 CG ASP A 32 11.994 -13.719 12.212 1.00 0.00 C ATOM 439 OD1 ASP A 32 11.173 -14.419 12.840 1.00 0.00 O ATOM 440 OD2 ASP A 32 13.210 -13.671 12.494 1.00 0.00 O ATOM 0 H ASP A 32 12.776 -14.173 9.375 1.00 0.00 H new ATOM 0 HA ASP A 32 10.294 -14.564 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.326 -12.341 10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.785 -12.142 11.419 1.00 0.00 H new ATOM 445 N LEU A 33 10.220 -11.723 8.755 1.00 0.00 N ATOM 446 CA LEU A 33 9.341 -10.824 8.014 1.00 0.00 C ATOM 447 C LEU A 33 8.426 -11.607 7.078 1.00 0.00 C ATOM 448 O LEU A 33 7.217 -11.379 7.040 1.00 0.00 O ATOM 449 CB LEU A 33 10.168 -9.817 7.213 1.00 0.00 C ATOM 450 CG LEU A 33 11.072 -8.891 8.028 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.226 -8.386 7.175 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.273 -7.726 8.592 1.00 0.00 C ATOM 0 H LEU A 33 11.169 -11.373 8.884 1.00 0.00 H new ATOM 0 HA LEU A 33 8.722 -10.287 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.789 -10.368 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.486 -9.202 6.626 1.00 0.00 H new ATOM 0 HG LEU A 33 11.485 -9.459 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.859 -7.729 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.814 -9.233 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.833 -7.835 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.933 -7.078 9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.831 -7.158 7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.482 -8.106 9.238 1.00 0.00 H new ATOM 464 N LYS A 34 9.011 -12.533 6.326 1.00 0.00 N ATOM 465 CA LYS A 34 8.249 -13.353 5.392 1.00 0.00 C ATOM 466 C LYS A 34 7.093 -14.053 6.100 1.00 0.00 C ATOM 467 O LYS A 34 5.974 -14.094 5.588 1.00 0.00 O ATOM 468 CB LYS A 34 9.159 -14.391 4.732 1.00 0.00 C ATOM 469 CG LYS A 34 8.501 -15.136 3.583 1.00 0.00 C ATOM 470 CD LYS A 34 9.523 -15.893 2.751 1.00 0.00 C ATOM 471 CE LYS A 34 8.850 -16.765 1.702 1.00 0.00 C ATOM 472 NZ LYS A 34 9.807 -17.725 1.083 1.00 0.00 N ATOM 0 H LYS A 34 10.011 -12.734 6.345 1.00 0.00 H new ATOM 0 HA LYS A 34 7.839 -12.697 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.056 -13.893 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.480 -15.111 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.762 -15.834 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.966 -14.429 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.193 -15.185 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.137 -16.514 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.028 -17.315 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.417 -16.133 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.311 -18.301 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.578 -17.199 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.201 -18.345 1.819 1.00 0.00 H new ATOM 486 N GLN A 35 7.371 -14.600 7.279 1.00 0.00 N ATOM 487 CA GLN A 35 6.354 -15.297 8.056 1.00 0.00 C ATOM 488 C GLN A 35 5.179 -14.374 8.367 1.00 0.00 C ATOM 489 O GLN A 35 4.019 -14.757 8.216 1.00 0.00 O ATOM 490 CB GLN A 35 6.954 -15.833 9.357 1.00 0.00 C ATOM 491 CG GLN A 35 7.997 -16.918 9.144 1.00 0.00 C ATOM 492 CD GLN A 35 8.502 -17.506 10.447 1.00 0.00 C ATOM 493 OE1 GLN A 35 9.221 -16.849 11.200 1.00 0.00 O ATOM 494 NE2 GLN A 35 8.127 -18.750 10.720 1.00 0.00 N ATOM 0 H GLN A 35 8.292 -14.574 7.717 1.00 0.00 H new ATOM 0 HA GLN A 35 5.988 -16.134 7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.407 -15.007 9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.153 -16.228 9.981 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.569 -17.713 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.837 -16.504 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.530 -19.258 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.436 -19.198 11.583 1.00 0.00 H new ATOM 503 N LYS A 36 5.488 -13.157 8.801 1.00 0.00 N ATOM 504 CA LYS A 36 4.459 -12.179 9.132 1.00 0.00 C ATOM 505 C LYS A 36 3.658 -11.791 7.893 1.00 0.00 C ATOM 506 O LYS A 36 2.438 -11.639 7.953 1.00 0.00 O ATOM 507 CB LYS A 36 5.093 -10.932 9.753 1.00 0.00 C ATOM 508 CG LYS A 36 5.495 -11.115 11.207 1.00 0.00 C ATOM 509 CD LYS A 36 6.788 -11.904 11.332 1.00 0.00 C ATOM 510 CE LYS A 36 7.303 -11.906 12.764 1.00 0.00 C ATOM 511 NZ LYS A 36 6.633 -12.947 13.592 1.00 0.00 N ATOM 0 H LYS A 36 6.443 -12.824 8.932 1.00 0.00 H new ATOM 0 HA LYS A 36 3.781 -12.633 9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.973 -10.655 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.390 -10.102 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.616 -10.139 11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.699 -11.631 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.623 -12.930 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.543 -11.475 10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.379 -12.080 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.139 -10.925 13.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.011 -12.917 14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.609 -12.767 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.811 -13.885 13.180 1.00 0.00 H new ATOM 525 N TYR A 37 4.352 -11.633 6.771 1.00 0.00 N ATOM 526 CA TYR A 37 3.706 -11.261 5.518 1.00 0.00 C ATOM 527 C TYR A 37 2.700 -12.325 5.088 1.00 0.00 C ATOM 528 O TYR A 37 1.546 -12.019 4.790 1.00 0.00 O ATOM 529 CB TYR A 37 4.752 -11.059 4.421 1.00 0.00 C ATOM 530 CG TYR A 37 4.183 -11.133 3.022 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.666 -10.003 2.400 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.163 -12.333 2.321 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.145 -10.066 1.122 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.645 -12.404 1.042 1.00 0.00 C ATOM 535 CZ TYR A 37 3.137 -11.268 0.447 1.00 0.00 C ATOM 536 OH TYR A 37 2.619 -11.336 -0.826 1.00 0.00 O ATOM 0 H TYR A 37 5.362 -11.757 6.704 1.00 0.00 H new ATOM 0 HA TYR A 37 3.172 -10.324 5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.229 -10.089 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.530 -11.815 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.672 -9.059 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.559 -13.225 2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.746 -9.178 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.638 -13.344 0.511 1.00 0.00 H new ATOM 0 HH TYR A 37 2.690 -12.255 -1.160 1.00 0.00 H new ATOM 546 N GLN A 38 3.148 -13.576 5.059 1.00 0.00 N ATOM 547 CA GLN A 38 2.288 -14.686 4.666 1.00 0.00 C ATOM 548 C GLN A 38 0.997 -14.688 5.476 1.00 0.00 C ATOM 549 O GLN A 38 -0.100 -14.638 4.918 1.00 0.00 O ATOM 550 CB GLN A 38 3.021 -16.016 4.849 1.00 0.00 C ATOM 551 CG GLN A 38 4.066 -16.288 3.778 1.00 0.00 C ATOM 552 CD GLN A 38 4.260 -17.768 3.515 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.559 -18.539 4.427 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.091 -18.174 2.262 1.00 0.00 N ATOM 0 H GLN A 38 4.101 -13.846 5.303 1.00 0.00 H new ATOM 0 HA GLN A 38 2.034 -14.561 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.504 -16.024 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.292 -16.826 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.769 -15.794 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.016 -15.849 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.843 -17.501 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.209 -19.159 2.025 1.00 0.00 H new ATOM 563 N LYS A 39 1.133 -14.746 6.797 1.00 0.00 N ATOM 564 CA LYS A 39 -0.023 -14.754 7.686 1.00 0.00 C ATOM 565 C LYS A 39 -0.892 -13.521 7.459 1.00 0.00 C ATOM 566 O LYS A 39 -2.066 -13.499 7.832 1.00 0.00 O ATOM 567 CB LYS A 39 0.432 -14.808 9.146 1.00 0.00 C ATOM 568 CG LYS A 39 0.975 -13.488 9.664 1.00 0.00 C ATOM 569 CD LYS A 39 1.008 -13.455 11.183 1.00 0.00 C ATOM 570 CE LYS A 39 -0.355 -13.106 11.761 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.270 -12.747 13.204 1.00 0.00 N ATOM 0 H LYS A 39 2.033 -14.788 7.275 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.616 -15.641 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.409 -15.115 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.201 -15.573 9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.980 -13.329 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.357 -12.670 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.328 -14.425 11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.744 -12.724 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.783 -12.273 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.030 -13.953 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.219 -12.516 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.115 -13.551 13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.354 -11.923 13.321 1.00 0.00 H new ATOM 585 N LEU A 40 -0.310 -12.497 6.845 1.00 0.00 N ATOM 586 CA LEU A 40 -1.032 -11.261 6.566 1.00 0.00 C ATOM 587 C LEU A 40 -1.455 -11.195 5.102 1.00 0.00 C ATOM 588 O LEU A 40 -1.684 -10.113 4.560 1.00 0.00 O ATOM 589 CB LEU A 40 -0.164 -10.050 6.913 1.00 0.00 C ATOM 590 CG LEU A 40 0.156 -9.856 8.396 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.166 -8.734 8.581 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.115 -9.568 9.181 1.00 0.00 C ATOM 0 H LEU A 40 0.660 -12.498 6.531 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.929 -11.247 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.776 -10.133 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.665 -9.153 6.550 1.00 0.00 H new ATOM 0 HG LEU A 40 0.594 -10.778 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.382 -8.610 9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.085 -8.981 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.756 -7.806 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.869 -9.433 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.582 -8.661 8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.806 -10.404 9.074 1.00 0.00 H new ATOM 604 N ILE A 41 -1.558 -12.358 4.469 1.00 0.00 N ATOM 605 CA ILE A 41 -1.957 -12.433 3.069 1.00 0.00 C ATOM 606 C ILE A 41 -3.304 -13.131 2.917 1.00 0.00 C ATOM 607 O ILE A 41 -4.123 -12.748 2.081 1.00 0.00 O ATOM 608 CB ILE A 41 -0.907 -13.178 2.223 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.294 -12.272 1.948 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.524 -13.661 0.919 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.044 -11.249 0.862 1.00 0.00 C ATOM 0 H ILE A 41 -1.371 -13.262 4.903 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.040 -11.407 2.710 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.561 -14.047 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.566 -11.754 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.147 -12.889 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.770 -14.185 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.350 -14.338 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.894 -12.806 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.938 -10.642 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.199 -11.760 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.788 -10.607 1.151 1.00 0.00 H new ATOM 623 N LEU A 42 -3.529 -14.155 3.732 1.00 0.00 N ATOM 624 CA LEU A 42 -4.778 -14.907 3.691 1.00 0.00 C ATOM 625 C LEU A 42 -5.907 -14.124 4.355 1.00 0.00 C ATOM 626 O LEU A 42 -7.057 -14.180 3.917 1.00 0.00 O ATOM 627 CB LEU A 42 -4.606 -16.260 4.382 1.00 0.00 C ATOM 628 CG LEU A 42 -3.179 -16.807 4.440 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.176 -18.237 4.959 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.524 -16.734 3.069 1.00 0.00 C ATOM 0 H LEU A 42 -2.862 -14.484 4.430 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.040 -15.071 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.983 -16.176 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.233 -16.990 3.869 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.602 -16.191 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.152 -18.609 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.605 -18.261 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.769 -18.866 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.509 -17.127 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.101 -17.326 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.492 -15.697 2.736 1.00 0.00 H new ATOM 642 N LEU A 43 -5.570 -13.393 5.412 1.00 0.00 N ATOM 643 CA LEU A 43 -6.555 -12.596 6.136 1.00 0.00 C ATOM 644 C LEU A 43 -7.230 -11.591 5.208 1.00 0.00 C ATOM 645 O LEU A 43 -8.453 -11.454 5.210 1.00 0.00 O ATOM 646 CB LEU A 43 -5.889 -11.864 7.302 1.00 0.00 C ATOM 647 CG LEU A 43 -5.661 -12.688 8.570 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.633 -12.015 9.467 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.971 -12.891 9.316 1.00 0.00 C ATOM 0 H LEU A 43 -4.623 -13.336 5.787 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.317 -13.271 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.926 -11.482 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.501 -11.000 7.560 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.275 -13.666 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.484 -12.616 10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.688 -11.922 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.989 -11.024 9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.790 -13.479 10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.386 -11.922 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.677 -13.417 8.674 1.00 0.00 H new ATOM 661 N TYR A 44 -6.425 -10.892 4.416 1.00 0.00 N ATOM 662 CA TYR A 44 -6.944 -9.899 3.483 1.00 0.00 C ATOM 663 C TYR A 44 -6.890 -10.418 2.049 1.00 0.00 C ATOM 664 O TYR A 44 -6.551 -9.681 1.123 1.00 0.00 O ATOM 665 CB TYR A 44 -6.150 -8.597 3.597 1.00 0.00 C ATOM 666 CG TYR A 44 -5.989 -8.108 5.018 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.922 -8.530 5.802 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.903 -7.224 5.578 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.771 -8.086 7.102 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.759 -6.774 6.876 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.692 -7.208 7.634 1.00 0.00 C ATOM 672 OH TYR A 44 -5.544 -6.763 8.928 1.00 0.00 O ATOM 0 H TYR A 44 -5.410 -10.995 4.401 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.985 -9.705 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.163 -8.744 3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.648 -7.825 3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.198 -9.217 5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.741 -6.883 4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.936 -8.425 7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.478 -6.086 7.295 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.276 -6.150 9.149 1.00 0.00 H new ATOM 682 N HIS A 45 -7.226 -11.692 1.875 1.00 0.00 N ATOM 683 CA HIS A 45 -7.218 -12.311 0.554 1.00 0.00 C ATOM 684 C HIS A 45 -8.618 -12.317 -0.052 1.00 0.00 C ATOM 685 O HIS A 45 -9.615 -12.554 0.630 1.00 0.00 O ATOM 686 CB HIS A 45 -6.680 -13.739 0.641 1.00 0.00 C ATOM 687 CG HIS A 45 -6.028 -14.212 -0.622 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.724 -14.817 -1.647 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.737 -14.163 -1.024 1.00 0.00 C ATOM 690 CE1 HIS A 45 -5.888 -15.122 -2.624 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.676 -14.735 -2.271 1.00 0.00 N ATOM 0 H HIS A 45 -7.507 -12.316 2.632 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.565 -11.724 -0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.959 -13.798 1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.500 -14.413 0.891 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.908 -13.751 -0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.151 -15.606 -3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.832 -14.843 -2.833 1.00 0.00 H new ATOM 700 N PRO A 46 -8.696 -12.051 -1.364 1.00 0.00 N ATOM 701 CA PRO A 46 -9.969 -12.020 -2.091 1.00 0.00 C ATOM 702 C PRO A 46 -10.588 -13.406 -2.236 1.00 0.00 C ATOM 703 O PRO A 46 -11.784 -13.589 -2.009 1.00 0.00 O ATOM 704 CB PRO A 46 -9.581 -11.461 -3.462 1.00 0.00 C ATOM 705 CG PRO A 46 -8.142 -11.811 -3.621 1.00 0.00 C ATOM 706 CD PRO A 46 -7.549 -11.759 -2.240 1.00 0.00 C ATOM 0 HA PRO A 46 -10.721 -11.427 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.185 -11.902 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.733 -10.383 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.027 -12.803 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.641 -11.109 -4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.753 -12.493 -2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.118 -10.781 -2.025 1.00 0.00 H new ATOM 714 N ASP A 47 -9.766 -14.379 -2.614 1.00 0.00 N ATOM 715 CA ASP A 47 -10.232 -15.749 -2.788 1.00 0.00 C ATOM 716 C ASP A 47 -10.646 -16.356 -1.451 1.00 0.00 C ATOM 717 O ASP A 47 -11.710 -16.965 -1.336 1.00 0.00 O ATOM 718 CB ASP A 47 -9.140 -16.604 -3.433 1.00 0.00 C ATOM 719 CG ASP A 47 -9.606 -18.018 -3.720 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.177 -18.246 -4.807 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.399 -18.898 -2.857 1.00 0.00 O ATOM 0 H ASP A 47 -8.773 -14.244 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.103 -15.730 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.817 -16.135 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.272 -16.637 -2.774 1.00 0.00 H new ATOM 726 N LYS A 48 -9.799 -16.186 -0.442 1.00 0.00 N ATOM 727 CA LYS A 48 -10.076 -16.716 0.888 1.00 0.00 C ATOM 728 C LYS A 48 -11.433 -16.237 1.393 1.00 0.00 C ATOM 729 O LYS A 48 -12.019 -16.841 2.290 1.00 0.00 O ATOM 730 CB LYS A 48 -8.978 -16.293 1.866 1.00 0.00 C ATOM 731 CG LYS A 48 -7.588 -16.747 1.454 1.00 0.00 C ATOM 732 CD LYS A 48 -7.265 -18.126 2.005 1.00 0.00 C ATOM 733 CE LYS A 48 -5.860 -18.564 1.623 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.842 -19.303 0.330 1.00 0.00 N ATOM 0 H LYS A 48 -8.914 -15.685 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.096 -17.804 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.984 -15.207 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.206 -16.698 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.517 -16.763 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.849 -16.029 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.362 -18.117 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.988 -18.849 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.214 -17.689 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.451 -19.198 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.867 -19.584 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.438 -20.152 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.209 -18.690 -0.426 1.00 0.00 H new ATOM 748 N GLN A 49 -11.926 -15.149 0.809 1.00 0.00 N ATOM 749 CA GLN A 49 -13.215 -14.591 1.200 1.00 0.00 C ATOM 750 C GLN A 49 -14.282 -15.679 1.266 1.00 0.00 C ATOM 751 O GLN A 49 -14.043 -16.821 0.876 1.00 0.00 O ATOM 752 CB GLN A 49 -13.642 -13.500 0.216 1.00 0.00 C ATOM 753 CG GLN A 49 -12.716 -12.295 0.205 1.00 0.00 C ATOM 754 CD GLN A 49 -12.699 -11.559 1.530 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.611 -10.793 1.840 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.658 -11.790 2.322 1.00 0.00 N ATOM 0 H GLN A 49 -11.453 -14.637 0.064 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.107 -14.153 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.685 -13.924 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.650 -13.171 0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.705 -12.621 -0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.028 -11.609 -0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.924 -12.433 2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.593 -11.324 3.227 1.00 0.00 H new ATOM 765 N SER A 50 -15.461 -15.315 1.762 1.00 0.00 N ATOM 766 CA SER A 50 -16.564 -16.261 1.883 1.00 0.00 C ATOM 767 C SER A 50 -17.886 -15.530 2.091 1.00 0.00 C ATOM 768 O SER A 50 -17.911 -14.319 2.306 1.00 0.00 O ATOM 769 CB SER A 50 -16.312 -17.225 3.045 1.00 0.00 C ATOM 770 OG SER A 50 -17.247 -18.289 3.037 1.00 0.00 O ATOM 0 H SER A 50 -15.676 -14.372 2.086 1.00 0.00 H new ATOM 0 HA SER A 50 -16.626 -16.830 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.300 -17.625 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.378 -16.686 3.990 1.00 0.00 H new ATOM 0 HG SER A 50 -17.063 -18.891 3.788 1.00 0.00 H new ATOM 776 N ALA A 51 -18.984 -16.276 2.026 1.00 0.00 N ATOM 777 CA ALA A 51 -20.311 -15.701 2.209 1.00 0.00 C ATOM 778 C ALA A 51 -20.482 -15.153 3.622 1.00 0.00 C ATOM 779 O ALA A 51 -21.402 -14.380 3.891 1.00 0.00 O ATOM 780 CB ALA A 51 -21.382 -16.739 1.910 1.00 0.00 C ATOM 0 H ALA A 51 -18.981 -17.280 1.848 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.420 -14.871 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.368 -16.296 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.281 -17.079 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.266 -17.587 2.585 1.00 0.00 H new ATOM 786 N ASP A 52 -19.591 -15.558 4.520 1.00 0.00 N ATOM 787 CA ASP A 52 -19.643 -15.107 5.906 1.00 0.00 C ATOM 788 C ASP A 52 -19.422 -13.600 5.996 1.00 0.00 C ATOM 789 O ASP A 52 -20.184 -12.888 6.650 1.00 0.00 O ATOM 790 CB ASP A 52 -18.593 -15.840 6.743 1.00 0.00 C ATOM 791 CG ASP A 52 -19.132 -17.116 7.359 1.00 0.00 C ATOM 792 OD1 ASP A 52 -19.383 -18.078 6.605 1.00 0.00 O ATOM 793 OD2 ASP A 52 -19.303 -17.151 8.596 1.00 0.00 O ATOM 0 H ASP A 52 -18.824 -16.198 4.313 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.634 -15.335 6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.734 -16.077 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.238 -15.180 7.534 1.00 0.00 H new ATOM 798 N VAL A 53 -18.373 -13.120 5.334 1.00 0.00 N ATOM 799 CA VAL A 53 -18.051 -11.698 5.339 1.00 0.00 C ATOM 800 C VAL A 53 -19.000 -10.917 4.437 1.00 0.00 C ATOM 801 O VAL A 53 -19.300 -11.320 3.313 1.00 0.00 O ATOM 802 CB VAL A 53 -16.602 -11.449 4.881 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.651 -12.419 5.565 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.496 -11.563 3.368 1.00 0.00 C ATOM 0 H VAL A 53 -17.732 -13.695 4.788 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.163 -11.351 6.366 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.317 -10.437 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.632 -12.228 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.708 -12.284 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.930 -13.442 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.466 -11.384 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.799 -12.562 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.147 -10.824 2.901 1.00 0.00 H new ATOM 814 N PRO A 54 -19.484 -9.771 4.939 1.00 0.00 N ATOM 815 CA PRO A 54 -20.406 -8.908 4.194 1.00 0.00 C ATOM 816 C PRO A 54 -19.729 -8.219 3.014 1.00 0.00 C ATOM 817 O PRO A 54 -18.580 -8.516 2.685 1.00 0.00 O ATOM 818 CB PRO A 54 -20.845 -7.876 5.235 1.00 0.00 C ATOM 819 CG PRO A 54 -19.730 -7.835 6.222 1.00 0.00 C ATOM 820 CD PRO A 54 -19.170 -9.230 6.272 1.00 0.00 C ATOM 0 HA PRO A 54 -21.231 -9.472 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.007 -6.899 4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.783 -8.166 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.967 -7.119 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.088 -7.523 7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.097 -9.226 6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.631 -9.820 7.064 1.00 0.00 H new ATOM 828 N ALA A 55 -20.447 -7.298 2.380 1.00 0.00 N ATOM 829 CA ALA A 55 -19.914 -6.566 1.238 1.00 0.00 C ATOM 830 C ALA A 55 -19.034 -5.406 1.692 1.00 0.00 C ATOM 831 O ALA A 55 -18.044 -5.074 1.041 1.00 0.00 O ATOM 832 CB ALA A 55 -21.049 -6.058 0.361 1.00 0.00 C ATOM 0 H ALA A 55 -21.400 -7.041 2.638 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.297 -7.250 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.637 -5.513 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.636 -6.903 -0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.689 -5.394 0.942 1.00 0.00 H new ATOM 838 N GLY A 56 -19.402 -4.793 2.813 1.00 0.00 N ATOM 839 CA GLY A 56 -18.635 -3.676 3.334 1.00 0.00 C ATOM 840 C GLY A 56 -17.201 -4.054 3.648 1.00 0.00 C ATOM 841 O GLY A 56 -16.263 -3.410 3.175 1.00 0.00 O ATOM 0 H GLY A 56 -20.217 -5.050 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.643 -2.864 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.115 -3.300 4.238 1.00 0.00 H new ATOM 845 N THR A 57 -17.028 -5.101 4.449 1.00 0.00 N ATOM 846 CA THR A 57 -15.698 -5.562 4.828 1.00 0.00 C ATOM 847 C THR A 57 -14.821 -5.777 3.601 1.00 0.00 C ATOM 848 O THR A 57 -13.645 -5.414 3.595 1.00 0.00 O ATOM 849 CB THR A 57 -15.767 -6.873 5.633 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.515 -6.670 6.837 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.371 -7.371 5.976 1.00 0.00 C ATOM 0 H THR A 57 -17.793 -5.646 4.848 1.00 0.00 H new ATOM 0 HA THR A 57 -15.259 -4.784 5.452 1.00 0.00 H new ATOM 0 HB THR A 57 -16.264 -7.625 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.556 -7.509 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.445 -8.298 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.813 -7.552 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.853 -6.620 6.572 1.00 0.00 H new ATOM 859 N MET A 58 -15.400 -6.370 2.562 1.00 0.00 N ATOM 860 CA MET A 58 -14.669 -6.632 1.327 1.00 0.00 C ATOM 861 C MET A 58 -13.861 -5.410 0.903 1.00 0.00 C ATOM 862 O MET A 58 -12.670 -5.513 0.612 1.00 0.00 O ATOM 863 CB MET A 58 -15.637 -7.030 0.211 1.00 0.00 C ATOM 864 CG MET A 58 -14.964 -7.734 -0.956 1.00 0.00 C ATOM 865 SD MET A 58 -14.129 -9.254 -0.461 1.00 0.00 S ATOM 866 CE MET A 58 -12.443 -8.884 -0.937 1.00 0.00 C ATOM 0 H MET A 58 -16.372 -6.678 2.550 1.00 0.00 H new ATOM 0 HA MET A 58 -13.979 -7.455 1.511 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.406 -7.683 0.624 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.142 -6.137 -0.157 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.711 -7.965 -1.716 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.241 -7.059 -1.414 1.00 0.00 H new ATOM 0 HE1 MET A 58 -11.769 -9.607 -0.479 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.351 -8.938 -2.022 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.182 -7.881 -0.600 1.00 0.00 H new ATOM 876 N GLU A 59 -14.517 -4.254 0.871 1.00 0.00 N ATOM 877 CA GLU A 59 -13.859 -3.013 0.482 1.00 0.00 C ATOM 878 C GLU A 59 -12.604 -2.777 1.318 1.00 0.00 C ATOM 879 O GLU A 59 -11.543 -2.455 0.786 1.00 0.00 O ATOM 880 CB GLU A 59 -14.817 -1.831 0.636 1.00 0.00 C ATOM 881 CG GLU A 59 -15.801 -1.691 -0.513 1.00 0.00 C ATOM 882 CD GLU A 59 -15.151 -1.159 -1.776 1.00 0.00 C ATOM 883 OE1 GLU A 59 -14.236 -1.829 -2.299 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.555 -0.073 -2.240 1.00 0.00 O ATOM 0 H GLU A 59 -15.503 -4.152 1.110 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.567 -3.100 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.372 -1.943 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.236 -0.912 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.251 -2.662 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.609 -1.023 -0.215 1.00 0.00 H new ATOM 891 N GLU A 60 -12.736 -2.940 2.631 1.00 0.00 N ATOM 892 CA GLU A 60 -11.614 -2.744 3.541 1.00 0.00 C ATOM 893 C GLU A 60 -10.494 -3.738 3.247 1.00 0.00 C ATOM 894 O GLU A 60 -9.314 -3.387 3.279 1.00 0.00 O ATOM 895 CB GLU A 60 -12.073 -2.892 4.993 1.00 0.00 C ATOM 896 CG GLU A 60 -12.661 -1.619 5.579 1.00 0.00 C ATOM 897 CD GLU A 60 -11.599 -0.596 5.932 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.709 -0.349 5.092 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.660 -0.041 7.050 1.00 0.00 O ATOM 0 H GLU A 60 -13.608 -3.207 3.088 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.230 -1.735 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.818 -3.686 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.226 -3.205 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.358 -1.182 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.234 -1.866 6.473 1.00 0.00 H new ATOM 906 N CYS A 61 -10.872 -4.978 2.960 1.00 0.00 N ATOM 907 CA CYS A 61 -9.901 -6.024 2.661 1.00 0.00 C ATOM 908 C CYS A 61 -8.936 -5.574 1.569 1.00 0.00 C ATOM 909 O CYS A 61 -7.720 -5.707 1.708 1.00 0.00 O ATOM 910 CB CYS A 61 -10.616 -7.305 2.230 1.00 0.00 C ATOM 911 SG CYS A 61 -9.503 -8.651 1.763 1.00 0.00 S ATOM 0 H CYS A 61 -11.844 -5.284 2.928 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.329 -6.224 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.255 -7.643 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.268 -7.078 1.387 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.296 -8.188 1.627 1.00 0.00 H new ATOM 917 N MET A 62 -9.487 -5.042 0.483 1.00 0.00 N ATOM 918 CA MET A 62 -8.674 -4.573 -0.634 1.00 0.00 C ATOM 919 C MET A 62 -7.600 -3.602 -0.154 1.00 0.00 C ATOM 920 O MET A 62 -6.411 -3.809 -0.397 1.00 0.00 O ATOM 921 CB MET A 62 -9.556 -3.896 -1.685 1.00 0.00 C ATOM 922 CG MET A 62 -9.015 -4.016 -3.100 1.00 0.00 C ATOM 923 SD MET A 62 -9.065 -5.707 -3.722 1.00 0.00 S ATOM 924 CE MET A 62 -7.323 -6.121 -3.719 1.00 0.00 C ATOM 0 H MET A 62 -10.492 -4.925 0.352 1.00 0.00 H new ATOM 0 HA MET A 62 -8.184 -5.437 -1.083 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.553 -4.334 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.662 -2.841 -1.433 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.594 -3.372 -3.762 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.987 -3.655 -3.124 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.203 -7.188 -3.533 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.888 -5.870 -4.686 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.816 -5.557 -2.936 1.00 0.00 H new ATOM 934 N GLN A 63 -8.026 -2.544 0.528 1.00 0.00 N ATOM 935 CA GLN A 63 -7.099 -1.542 1.041 1.00 0.00 C ATOM 936 C GLN A 63 -5.918 -2.202 1.744 1.00 0.00 C ATOM 937 O GLN A 63 -4.760 -1.937 1.419 1.00 0.00 O ATOM 938 CB GLN A 63 -7.818 -0.597 2.005 1.00 0.00 C ATOM 939 CG GLN A 63 -8.470 0.592 1.318 1.00 0.00 C ATOM 940 CD GLN A 63 -7.469 1.663 0.932 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.320 1.366 0.603 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.900 2.919 0.970 1.00 0.00 N ATOM 0 H GLN A 63 -9.007 -2.358 0.738 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.720 -0.968 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.581 -1.156 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.104 -0.233 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.992 0.249 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.221 1.023 1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.860 3.120 1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.271 3.682 0.721 1.00 0.00 H new ATOM 951 N LYS A 64 -6.217 -3.064 2.711 1.00 0.00 N ATOM 952 CA LYS A 64 -5.181 -3.764 3.461 1.00 0.00 C ATOM 953 C LYS A 64 -4.274 -4.556 2.525 1.00 0.00 C ATOM 954 O LYS A 64 -3.077 -4.285 2.427 1.00 0.00 O ATOM 955 CB LYS A 64 -5.814 -4.702 4.491 1.00 0.00 C ATOM 956 CG LYS A 64 -6.494 -3.976 5.638 1.00 0.00 C ATOM 957 CD LYS A 64 -5.533 -3.731 6.790 1.00 0.00 C ATOM 958 CE LYS A 64 -4.817 -2.397 6.644 1.00 0.00 C ATOM 959 NZ LYS A 64 -5.766 -1.287 6.351 1.00 0.00 N ATOM 0 H LYS A 64 -7.170 -3.294 2.993 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.577 -3.020 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.544 -5.338 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.043 -5.359 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.889 -3.024 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.343 -4.563 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.080 -3.750 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.800 -4.536 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.271 -2.176 7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.080 -2.466 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.401 -0.402 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.868 -1.180 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.693 -1.503 6.770 1.00 0.00 H new ATOM 973 N PHE A 65 -4.851 -5.536 1.838 1.00 0.00 N ATOM 974 CA PHE A 65 -4.094 -6.368 0.909 1.00 0.00 C ATOM 975 C PHE A 65 -3.110 -5.525 0.103 1.00 0.00 C ATOM 976 O PHE A 65 -1.896 -5.706 0.202 1.00 0.00 O ATOM 977 CB PHE A 65 -5.043 -7.108 -0.036 1.00 0.00 C ATOM 978 CG PHE A 65 -4.390 -8.239 -0.777 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.048 -9.410 -0.119 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.117 -8.132 -2.131 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.447 -10.453 -0.798 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.516 -9.172 -2.815 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.180 -10.333 -2.148 1.00 0.00 C ATOM 0 H PHE A 65 -5.840 -5.774 1.907 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.530 -7.098 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.884 -7.498 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.451 -6.399 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.254 -9.509 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.377 -7.226 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.186 -11.361 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.309 -9.076 -3.871 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.709 -11.146 -2.681 1.00 0.00 H new ATOM 993 N ILE A 66 -3.643 -4.606 -0.695 1.00 0.00 N ATOM 994 CA ILE A 66 -2.812 -3.736 -1.518 1.00 0.00 C ATOM 995 C ILE A 66 -1.563 -3.294 -0.763 1.00 0.00 C ATOM 996 O ILE A 66 -0.451 -3.370 -1.285 1.00 0.00 O ATOM 997 CB ILE A 66 -3.588 -2.488 -1.979 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.789 -2.895 -2.835 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.673 -1.551 -2.753 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.775 -1.771 -3.068 1.00 0.00 C ATOM 0 H ILE A 66 -4.646 -4.445 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.519 -4.315 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.955 -1.961 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.431 -3.259 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.304 -3.725 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.236 -0.674 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.847 -1.239 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.280 -2.068 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.600 -2.132 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.161 -1.422 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.275 -0.948 -3.579 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.755 -2.832 0.469 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.643 -2.379 1.296 1.00 0.00 C ATOM 1014 C GLU A 67 0.318 -3.526 1.592 1.00 0.00 C ATOM 1015 O GLU A 67 1.527 -3.404 1.394 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.162 -1.782 2.605 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.829 -0.427 2.435 1.00 0.00 C ATOM 1018 CD GLU A 67 -0.828 0.706 2.326 1.00 0.00 C ATOM 1019 OE1 GLU A 67 0.266 0.481 1.769 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -1.140 1.820 2.799 1.00 0.00 O ATOM 0 H GLU A 67 -2.669 -2.762 0.916 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.103 -1.610 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.875 -2.475 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.331 -1.683 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.453 -0.443 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.490 -0.243 3.282 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.229 -4.640 2.069 1.00 0.00 N ATOM 1028 CA ILE A 68 0.579 -5.809 2.392 1.00 0.00 C ATOM 1029 C ILE A 68 1.401 -6.259 1.190 1.00 0.00 C ATOM 1030 O ILE A 68 2.627 -6.349 1.262 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.296 -6.983 2.870 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.108 -6.575 4.101 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.568 -8.197 3.177 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.391 -7.358 4.266 1.00 0.00 C ATOM 0 H ILE A 68 -1.228 -4.757 2.240 1.00 0.00 H new ATOM 0 HA ILE A 68 1.251 -5.515 3.198 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.990 -7.248 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.494 -6.708 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.346 -5.513 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.065 -9.018 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.105 -8.498 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.283 -7.946 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.914 -7.015 5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.025 -7.205 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.160 -8.419 4.366 1.00 0.00 H new ATOM 1046 N ASP A 69 0.719 -6.539 0.085 1.00 0.00 N ATOM 1047 CA ASP A 69 1.386 -6.978 -1.135 1.00 0.00 C ATOM 1048 C ASP A 69 2.500 -6.010 -1.523 1.00 0.00 C ATOM 1049 O ASP A 69 3.368 -6.340 -2.331 1.00 0.00 O ATOM 1050 CB ASP A 69 0.377 -7.098 -2.279 1.00 0.00 C ATOM 1051 CG ASP A 69 0.880 -7.980 -3.404 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.563 -8.983 -3.111 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.592 -7.666 -4.579 1.00 0.00 O ATOM 0 H ASP A 69 -0.296 -6.470 0.009 1.00 0.00 H new ATOM 0 HA ASP A 69 1.828 -7.956 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.558 -7.504 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.156 -6.105 -2.671 1.00 0.00 H new ATOM 1058 N GLN A 70 2.467 -4.815 -0.942 1.00 0.00 N ATOM 1059 CA GLN A 70 3.474 -3.799 -1.229 1.00 0.00 C ATOM 1060 C GLN A 70 4.617 -3.867 -0.222 1.00 0.00 C ATOM 1061 O GLN A 70 5.786 -3.943 -0.600 1.00 0.00 O ATOM 1062 CB GLN A 70 2.842 -2.406 -1.209 1.00 0.00 C ATOM 1063 CG GLN A 70 2.302 -1.964 -2.559 1.00 0.00 C ATOM 1064 CD GLN A 70 1.432 -3.019 -3.213 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.776 -4.202 -3.228 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.298 -2.597 -3.759 1.00 0.00 N ATOM 0 H GLN A 70 1.755 -4.527 -0.271 1.00 0.00 H new ATOM 0 HA GLN A 70 3.878 -3.993 -2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.031 -2.395 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.585 -1.684 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.724 -1.049 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.136 -1.726 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.052 -1.608 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.327 -3.262 -4.214 1.00 0.00 H new ATOM 1075 N ALA A 71 4.272 -3.838 1.061 1.00 0.00 N ATOM 1076 CA ALA A 71 5.270 -3.897 2.122 1.00 0.00 C ATOM 1077 C ALA A 71 6.336 -4.943 1.815 1.00 0.00 C ATOM 1078 O ALA A 71 7.515 -4.745 2.107 1.00 0.00 O ATOM 1079 CB ALA A 71 4.604 -4.196 3.457 1.00 0.00 C ATOM 0 H ALA A 71 3.309 -3.774 1.391 1.00 0.00 H new ATOM 0 HA ALA A 71 5.759 -2.925 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.361 -4.237 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.885 -3.411 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.089 -5.155 3.400 1.00 0.00 H new ATOM 1085 N TRP A 72 5.914 -6.056 1.226 1.00 0.00 N ATOM 1086 CA TRP A 72 6.833 -7.134 0.881 1.00 0.00 C ATOM 1087 C TRP A 72 7.738 -6.728 -0.278 1.00 0.00 C ATOM 1088 O TRP A 72 8.893 -7.147 -0.353 1.00 0.00 O ATOM 1089 CB TRP A 72 6.055 -8.400 0.517 1.00 0.00 C ATOM 1090 CG TRP A 72 6.931 -9.597 0.309 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.973 -10.401 -0.795 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.890 -10.128 1.230 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.901 -11.398 -0.615 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.478 -11.252 0.619 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.312 -9.761 2.511 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.462 -12.012 1.246 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.288 -10.515 3.133 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.855 -11.630 2.500 1.00 0.00 C ATOM 0 H TRP A 72 4.941 -6.235 0.977 1.00 0.00 H new ATOM 0 HA TRP A 72 7.457 -7.338 1.751 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.338 -8.617 1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.481 -8.216 -0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.366 -10.272 -1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.124 -12.129 -1.291 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.882 -8.903 3.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.899 -12.872 0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.620 -10.241 4.124 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.617 -12.199 3.012 1.00 0.00 H new ATOM 1109 N LYS A 73 7.205 -5.909 -1.179 1.00 0.00 N ATOM 1110 CA LYS A 73 7.965 -5.445 -2.334 1.00 0.00 C ATOM 1111 C LYS A 73 9.301 -4.849 -1.902 1.00 0.00 C ATOM 1112 O LYS A 73 10.326 -5.069 -2.548 1.00 0.00 O ATOM 1113 CB LYS A 73 7.159 -4.404 -3.115 1.00 0.00 C ATOM 1114 CG LYS A 73 5.779 -4.887 -3.526 1.00 0.00 C ATOM 1115 CD LYS A 73 5.853 -5.849 -4.700 1.00 0.00 C ATOM 1116 CE LYS A 73 4.475 -6.123 -5.284 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.541 -7.039 -6.456 1.00 0.00 N ATOM 0 H LYS A 73 6.250 -5.553 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 73 8.161 -6.303 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.054 -3.506 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.716 -4.120 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.298 -5.379 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.158 -4.032 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.500 -5.433 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.305 -6.786 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.836 -6.560 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.014 -5.182 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.582 -7.201 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.130 -6.611 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.957 -7.946 -6.164 1.00 0.00 H new ATOM 1131 N ILE A 74 9.282 -4.097 -0.807 1.00 0.00 N ATOM 1132 CA ILE A 74 10.494 -3.473 -0.289 1.00 0.00 C ATOM 1133 C ILE A 74 11.101 -4.302 0.837 1.00 0.00 C ATOM 1134 O ILE A 74 12.299 -4.218 1.109 1.00 0.00 O ATOM 1135 CB ILE A 74 10.216 -2.049 0.229 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.974 -1.095 -0.943 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.375 -1.562 1.086 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.847 -1.528 -1.853 1.00 0.00 C ATOM 0 H ILE A 74 8.442 -3.905 -0.261 1.00 0.00 H new ATOM 0 HA ILE A 74 11.200 -3.418 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 74 9.318 -2.071 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.753 -0.102 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.890 -1.011 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.164 -0.555 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.504 -2.231 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.288 -1.551 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.733 -0.805 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.074 -2.508 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.920 -1.584 -1.283 1.00 0.00 H new ATOM 1150 N LEU A 75 10.267 -5.105 1.489 1.00 0.00 N ATOM 1151 CA LEU A 75 10.721 -5.952 2.586 1.00 0.00 C ATOM 1152 C LEU A 75 10.744 -7.419 2.167 1.00 0.00 C ATOM 1153 O LEU A 75 10.581 -8.314 2.995 1.00 0.00 O ATOM 1154 CB LEU A 75 9.815 -5.772 3.805 1.00 0.00 C ATOM 1155 CG LEU A 75 9.785 -4.372 4.418 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.156 -4.409 5.802 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.188 -3.788 4.484 1.00 0.00 C ATOM 0 H LEU A 75 9.273 -5.187 1.277 1.00 0.00 H new ATOM 0 HA LEU A 75 11.735 -5.652 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.799 -6.044 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.130 -6.477 4.574 1.00 0.00 H new ATOM 0 HG LEU A 75 9.176 -3.731 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.143 -3.404 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.135 -4.784 5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.738 -5.066 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.147 -2.791 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.820 -4.429 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.603 -3.725 3.478 1.00 0.00 H new ATOM 1169 N GLY A 76 10.951 -7.657 0.876 1.00 0.00 N ATOM 1170 CA GLY A 76 10.994 -9.017 0.370 1.00 0.00 C ATOM 1171 C GLY A 76 12.298 -9.331 -0.337 1.00 0.00 C ATOM 1172 O GLY A 76 12.792 -10.456 -0.269 1.00 0.00 O ATOM 0 H GLY A 76 11.090 -6.933 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.855 -9.714 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.164 -9.171 -0.319 1.00 0.00 H new ATOM 1176 N ASN A 77 12.855 -8.335 -1.018 1.00 0.00 N ATOM 1177 CA ASN A 77 14.109 -8.512 -1.742 1.00 0.00 C ATOM 1178 C ASN A 77 15.283 -7.956 -0.942 1.00 0.00 C ATOM 1179 O ASN A 77 15.236 -6.825 -0.459 1.00 0.00 O ATOM 1180 CB ASN A 77 14.035 -7.824 -3.107 1.00 0.00 C ATOM 1181 CG ASN A 77 15.083 -8.343 -4.073 1.00 0.00 C ATOM 1182 OD1 ASN A 77 15.930 -9.158 -3.708 1.00 0.00 O ATOM 1183 ND2 ASN A 77 15.029 -7.871 -5.313 1.00 0.00 N ATOM 0 H ASN A 77 12.458 -7.398 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 77 14.267 -9.580 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.044 -7.976 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.165 -6.750 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.708 -8.183 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.309 -7.196 -5.571 1.00 0.00 H new ATOM 1190 N GLU A 78 16.334 -8.758 -0.807 1.00 0.00 N ATOM 1191 CA GLU A 78 17.519 -8.345 -0.065 1.00 0.00 C ATOM 1192 C GLU A 78 18.054 -7.017 -0.591 1.00 0.00 C ATOM 1193 O GLU A 78 18.625 -6.225 0.159 1.00 0.00 O ATOM 1194 CB GLU A 78 18.606 -9.418 -0.159 1.00 0.00 C ATOM 1195 CG GLU A 78 18.404 -10.575 0.806 1.00 0.00 C ATOM 1196 CD GLU A 78 18.719 -10.200 2.241 1.00 0.00 C ATOM 1197 OE1 GLU A 78 19.917 -10.129 2.586 1.00 0.00 O ATOM 1198 OE2 GLU A 78 17.768 -9.977 3.019 1.00 0.00 O ATOM 0 H GLU A 78 16.389 -9.697 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 78 17.236 -8.215 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.635 -9.806 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.576 -8.959 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.372 -10.920 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.038 -11.409 0.505 1.00 0.00 H new ATOM 1205 N GLU A 79 17.866 -6.780 -1.886 1.00 0.00 N ATOM 1206 CA GLU A 79 18.331 -5.548 -2.512 1.00 0.00 C ATOM 1207 C GLU A 79 17.550 -4.345 -1.991 1.00 0.00 C ATOM 1208 O GLU A 79 18.128 -3.305 -1.673 1.00 0.00 O ATOM 1209 CB GLU A 79 18.193 -5.640 -4.033 1.00 0.00 C ATOM 1210 CG GLU A 79 18.348 -7.051 -4.574 1.00 0.00 C ATOM 1211 CD GLU A 79 18.839 -7.075 -6.009 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.011 -6.879 -6.923 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.051 -7.291 -6.217 1.00 0.00 O ATOM 0 H GLU A 79 17.395 -7.425 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 79 19.382 -5.415 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.217 -5.253 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.942 -4.998 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.047 -7.602 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.390 -7.567 -4.513 1.00 0.00 H new ATOM 1220 N THR A 80 16.232 -4.493 -1.907 1.00 0.00 N ATOM 1221 CA THR A 80 15.371 -3.420 -1.428 1.00 0.00 C ATOM 1222 C THR A 80 15.445 -3.292 0.090 1.00 0.00 C ATOM 1223 O THR A 80 15.880 -2.268 0.617 1.00 0.00 O ATOM 1224 CB THR A 80 13.905 -3.648 -1.841 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.334 -4.703 -1.060 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.807 -3.995 -3.319 1.00 0.00 C ATOM 0 H THR A 80 15.737 -5.347 -2.165 1.00 0.00 H new ATOM 0 HA THR A 80 15.730 -2.499 -1.886 1.00 0.00 H new ATOM 0 HB THR A 80 13.353 -2.725 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.041 -4.348 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.762 -4.152 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.216 -3.177 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.373 -4.905 -3.517 1.00 0.00 H new ATOM 1234 N LYS A 81 15.018 -4.338 0.788 1.00 0.00 N ATOM 1235 CA LYS A 81 15.037 -4.345 2.246 1.00 0.00 C ATOM 1236 C LYS A 81 16.267 -3.615 2.777 1.00 0.00 C ATOM 1237 O LYS A 81 16.176 -2.830 3.721 1.00 0.00 O ATOM 1238 CB LYS A 81 15.018 -5.783 2.770 1.00 0.00 C ATOM 1239 CG LYS A 81 15.149 -5.881 4.280 1.00 0.00 C ATOM 1240 CD LYS A 81 15.824 -7.177 4.698 1.00 0.00 C ATOM 1241 CE LYS A 81 15.493 -7.539 6.138 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.027 -8.878 6.510 1.00 0.00 N ATOM 0 H LYS A 81 14.654 -5.193 0.367 1.00 0.00 H new ATOM 0 HA LYS A 81 14.147 -3.825 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.088 -6.261 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.831 -6.341 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.725 -5.033 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.161 -5.820 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.507 -7.983 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.904 -7.079 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.907 -6.784 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.412 -7.528 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.292 -9.418 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.309 -9.390 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.853 -8.762 7.131 1.00 0.00 H new ATOM 1256 N LYS A 82 17.416 -3.878 2.164 1.00 0.00 N ATOM 1257 CA LYS A 82 18.664 -3.245 2.573 1.00 0.00 C ATOM 1258 C LYS A 82 18.594 -1.733 2.384 1.00 0.00 C ATOM 1259 O LYS A 82 18.801 -0.969 3.327 1.00 0.00 O ATOM 1260 CB LYS A 82 19.836 -3.817 1.772 1.00 0.00 C ATOM 1261 CG LYS A 82 21.171 -3.710 2.488 1.00 0.00 C ATOM 1262 CD LYS A 82 22.326 -3.618 1.504 1.00 0.00 C ATOM 1263 CE LYS A 82 22.631 -2.175 1.135 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.784 -2.073 0.199 1.00 0.00 N ATOM 0 H LYS A 82 17.509 -4.526 1.382 1.00 0.00 H new ATOM 0 HA LYS A 82 18.819 -3.454 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.636 -4.865 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.902 -3.295 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.170 -2.831 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.310 -4.578 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.213 -4.079 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.083 -4.181 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.751 -1.724 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.847 -1.607 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.960 -1.073 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.630 -2.481 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.569 -2.594 -0.675 1.00 0.00 H new ATOM 1278 N LYS A 83 18.301 -1.308 1.160 1.00 0.00 N ATOM 1279 CA LYS A 83 18.201 0.113 0.846 1.00 0.00 C ATOM 1280 C LYS A 83 17.188 0.800 1.755 1.00 0.00 C ATOM 1281 O LYS A 83 17.461 1.863 2.314 1.00 0.00 O ATOM 1282 CB LYS A 83 17.802 0.306 -0.618 1.00 0.00 C ATOM 1283 CG LYS A 83 18.901 -0.059 -1.602 1.00 0.00 C ATOM 1284 CD LYS A 83 18.452 0.141 -3.039 1.00 0.00 C ATOM 1285 CE LYS A 83 19.263 -0.714 -4.001 1.00 0.00 C ATOM 1286 NZ LYS A 83 20.488 -0.009 -4.471 1.00 0.00 N ATOM 0 H LYS A 83 18.128 -1.928 0.368 1.00 0.00 H new ATOM 0 HA LYS A 83 19.178 0.566 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.921 -0.301 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.517 1.347 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.783 0.552 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.194 -1.098 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.395 -0.111 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.554 1.192 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.546 -1.645 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.646 -0.981 -4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.013 -0.624 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 20.218 0.867 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.090 0.223 -3.655 1.00 0.00 H new ATOM 1300 N TYR A 84 16.018 0.188 1.900 1.00 0.00 N ATOM 1301 CA TYR A 84 14.964 0.742 2.741 1.00 0.00 C ATOM 1302 C TYR A 84 15.428 0.862 4.189 1.00 0.00 C ATOM 1303 O TYR A 84 15.107 1.830 4.877 1.00 0.00 O ATOM 1304 CB TYR A 84 13.711 -0.133 2.666 1.00 0.00 C ATOM 1305 CG TYR A 84 12.511 0.467 3.365 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.931 1.643 2.904 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.959 -0.141 4.485 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.836 2.195 3.539 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.863 0.403 5.126 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.305 1.571 4.649 1.00 0.00 C ATOM 1311 OH TYR A 84 9.214 2.118 5.285 1.00 0.00 O ATOM 0 H TYR A 84 15.776 -0.692 1.446 1.00 0.00 H new ATOM 0 HA TYR A 84 14.726 1.739 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.462 -0.307 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.930 -1.105 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.344 2.133 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.394 -1.055 4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.398 3.110 3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.445 -0.083 5.995 1.00 0.00 H new ATOM 0 HH TYR A 84 8.504 2.285 4.631 1.00 0.00 H new ATOM 1321 N ASP A 85 16.187 -0.129 4.644 1.00 0.00 N ATOM 1322 CA ASP A 85 16.699 -0.135 6.009 1.00 0.00 C ATOM 1323 C ASP A 85 17.626 1.053 6.248 1.00 0.00 C ATOM 1324 O ASP A 85 17.901 1.420 7.391 1.00 0.00 O ATOM 1325 CB ASP A 85 17.442 -1.442 6.292 1.00 0.00 C ATOM 1326 CG ASP A 85 16.531 -2.515 6.855 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.295 -2.510 8.082 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.053 -3.359 6.069 1.00 0.00 O ATOM 0 H ASP A 85 16.461 -0.938 4.087 1.00 0.00 H new ATOM 0 HA ASP A 85 15.851 -0.053 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.899 -1.804 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.252 -1.251 6.996 1.00 0.00 H new ATOM 1333 N LEU A 86 18.106 1.649 5.162 1.00 0.00 N ATOM 1334 CA LEU A 86 19.003 2.796 5.253 1.00 0.00 C ATOM 1335 C LEU A 86 18.219 4.104 5.238 1.00 0.00 C ATOM 1336 O LEU A 86 18.312 4.904 6.169 1.00 0.00 O ATOM 1337 CB LEU A 86 20.006 2.776 4.097 1.00 0.00 C ATOM 1338 CG LEU A 86 21.094 1.705 4.171 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.754 1.520 2.814 1.00 0.00 C ATOM 1340 CD2 LEU A 86 22.130 2.070 5.225 1.00 0.00 C ATOM 0 H LEU A 86 17.889 1.357 4.209 1.00 0.00 H new ATOM 0 HA LEU A 86 19.543 2.729 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.455 2.642 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.488 3.752 4.044 1.00 0.00 H new ATOM 0 HG LEU A 86 20.630 0.761 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.526 0.754 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.005 1.213 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.205 2.460 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.897 1.297 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.590 3.024 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.646 2.151 6.198 1.00 0.00 H new ATOM 1352 N GLN A 87 17.446 4.313 4.178 1.00 0.00 N ATOM 1353 CA GLN A 87 16.644 5.523 4.044 1.00 0.00 C ATOM 1354 C GLN A 87 15.868 5.807 5.326 1.00 0.00 C ATOM 1355 O GLN A 87 15.790 6.950 5.776 1.00 0.00 O ATOM 1356 CB GLN A 87 15.676 5.392 2.866 1.00 0.00 C ATOM 1357 CG GLN A 87 14.943 4.061 2.827 1.00 0.00 C ATOM 1358 CD GLN A 87 13.593 4.118 3.514 1.00 0.00 C ATOM 1359 OE1 GLN A 87 13.268 3.267 4.342 1.00 0.00 O ATOM 1360 NE2 GLN A 87 12.797 5.125 3.173 1.00 0.00 N ATOM 0 H GLN A 87 17.358 3.660 3.399 1.00 0.00 H new ATOM 0 HA GLN A 87 17.320 6.357 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.945 6.199 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.229 5.520 1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.806 3.756 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.558 3.298 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.107 5.808 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.876 5.215 3.602 1.00 0.00 H new ATOM 1369 N ARG A 88 15.294 4.759 5.908 1.00 0.00 N ATOM 1370 CA ARG A 88 14.522 4.896 7.137 1.00 0.00 C ATOM 1371 C ARG A 88 15.366 5.527 8.241 1.00 0.00 C ATOM 1372 O ARG A 88 16.520 5.894 8.021 1.00 0.00 O ATOM 1373 CB ARG A 88 14.004 3.531 7.594 1.00 0.00 C ATOM 1374 CG ARG A 88 15.083 2.635 8.182 1.00 0.00 C ATOM 1375 CD ARG A 88 14.537 1.258 8.527 1.00 0.00 C ATOM 1376 NE ARG A 88 13.773 1.268 9.771 1.00 0.00 N ATOM 1377 CZ ARG A 88 12.486 1.586 9.841 1.00 0.00 C ATOM 1378 NH1 ARG A 88 11.821 1.919 8.743 1.00 0.00 N ATOM 1379 NH2 ARG A 88 11.860 1.572 11.011 1.00 0.00 N ATOM 0 H ARG A 88 15.349 3.806 5.548 1.00 0.00 H new ATOM 0 HA ARG A 88 13.674 5.549 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 88 13.222 3.679 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.545 3.024 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.902 2.535 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.495 3.099 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.902 0.906 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.363 0.552 8.615 1.00 0.00 H new ATOM 0 HE ARG A 88 14.255 1.017 10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.298 1.931 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.832 2.163 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.368 1.317 11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.871 1.817 11.063 1.00 0.00 H new