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 45 HIS : no HD1:sc= -2.69! C(o=-4.2!,f=-6.5!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 133:sc= -1.48 (180deg=-4.48!) USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= -0.351 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc=-0.00262 (180deg=-0.116) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00208 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= -0.0401 K(o=-0.04,f=-0.61) USER MOD Single : A 30 MET CE :methyl -149:sc= -2.32! (180deg=-3.75!) 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=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0942 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 49 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.21) USER MOD Single : A 50 SER OG : rot 52:sc= 1.22 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.988 USER MOD Single : A 58 MET CE :methyl 157:sc= 0 (180deg=-0.51) USER MOD Single : A 61 CYS SG : rot -73:sc= -1.59 USER MOD Single : A 62 MET CE :methyl 148:sc= -0.0177 (180deg=-0.159) USER MOD Single : A 63 GLN : amide:sc= -0.361 K(o=-0.36,f=-1) USER MOD Single : A 70 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 80 THR OG1 : rot 81:sc= 0.0757 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 68:sc= 0.896 USER MOD Single : A 87 GLN : amide:sc=-0.00898 K(o=-0.009,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 6.171 4.826 3.044 1.00 0.00 N ATOM 200 CA LYS A 16 5.192 4.178 3.909 1.00 0.00 C ATOM 201 C LYS A 16 5.872 3.210 4.871 1.00 0.00 C ATOM 202 O LYS A 16 6.839 2.539 4.511 1.00 0.00 O ATOM 203 CB LYS A 16 4.152 3.433 3.068 1.00 0.00 C ATOM 204 CG LYS A 16 2.939 2.981 3.862 1.00 0.00 C ATOM 205 CD LYS A 16 1.701 2.890 2.985 1.00 0.00 C ATOM 206 CE LYS A 16 0.426 2.952 3.813 1.00 0.00 C ATOM 207 NZ LYS A 16 0.163 4.326 4.324 1.00 0.00 N ATOM 0 HA LYS A 16 4.692 4.951 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.823 4.080 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.622 2.562 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.139 2.009 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.757 3.679 4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.706 3.705 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.723 1.959 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.417 2.623 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.504 2.261 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.814 4.385 4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.822 4.540 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.297 5.014 3.556 1.00 0.00 H new ATOM 221 N ASP A 17 5.359 3.141 6.095 1.00 0.00 N ATOM 222 CA ASP A 17 5.916 2.252 7.108 1.00 0.00 C ATOM 223 C ASP A 17 5.524 0.803 6.834 1.00 0.00 C ATOM 224 O ASP A 17 4.430 0.368 7.192 1.00 0.00 O ATOM 225 CB ASP A 17 5.438 2.668 8.500 1.00 0.00 C ATOM 226 CG ASP A 17 6.282 2.066 9.606 1.00 0.00 C ATOM 227 OD1 ASP A 17 7.214 1.298 9.289 1.00 0.00 O ATOM 228 OD2 ASP A 17 6.009 2.362 10.789 1.00 0.00 O ATOM 0 H ASP A 17 4.559 3.690 6.409 1.00 0.00 H new ATOM 0 HA ASP A 17 7.002 2.330 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.462 3.755 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.400 2.362 8.631 1.00 0.00 H new ATOM 233 N TRP A 18 6.425 0.063 6.198 1.00 0.00 N ATOM 234 CA TRP A 18 6.172 -1.337 5.875 1.00 0.00 C ATOM 235 C TRP A 18 6.330 -2.217 7.110 1.00 0.00 C ATOM 236 O TRP A 18 5.633 -3.221 7.261 1.00 0.00 O ATOM 237 CB TRP A 18 7.124 -1.807 4.773 1.00 0.00 C ATOM 238 CG TRP A 18 7.171 -0.882 3.595 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.264 -0.214 3.120 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.078 -0.523 2.743 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.915 0.539 2.025 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.580 0.366 1.773 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.724 -0.867 2.704 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.775 0.915 0.778 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.926 -0.322 1.717 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.453 0.560 0.764 1.00 0.00 C ATOM 0 H TRP A 18 7.336 0.408 5.896 1.00 0.00 H new ATOM 0 HA TRP A 18 5.145 -1.423 5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.127 -1.907 5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.818 -2.797 4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.256 -0.270 3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.548 1.131 1.487 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.309 -1.547 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.179 1.596 0.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.878 -0.580 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.803 0.968 0.004 1.00 0.00 H new ATOM 257 N TYR A 19 7.249 -1.835 7.990 1.00 0.00 N ATOM 258 CA TYR A 19 7.498 -2.592 9.211 1.00 0.00 C ATOM 259 C TYR A 19 6.265 -2.601 10.108 1.00 0.00 C ATOM 260 O TYR A 19 6.173 -3.390 11.048 1.00 0.00 O ATOM 261 CB TYR A 19 8.689 -2.000 9.968 1.00 0.00 C ATOM 262 CG TYR A 19 10.024 -2.293 9.321 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.487 -3.597 9.197 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.821 -1.266 8.832 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.706 -3.870 8.607 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.041 -1.529 8.239 1.00 0.00 C ATOM 267 CZ TYR A 19 12.480 -2.832 8.130 1.00 0.00 C ATOM 268 OH TYR A 19 13.694 -3.099 7.540 1.00 0.00 O ATOM 0 H TYR A 19 7.833 -1.006 7.881 1.00 0.00 H new ATOM 0 HA TYR A 19 7.728 -3.620 8.931 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.560 -0.920 10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.694 -2.392 10.985 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.883 -4.412 9.568 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.481 -0.244 8.917 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.051 -4.890 8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.648 -0.719 7.863 1.00 0.00 H new ATOM 0 HH TYR A 19 14.112 -2.259 7.258 1.00 0.00 H new ATOM 278 N SER A 20 5.318 -1.717 9.810 1.00 0.00 N ATOM 279 CA SER A 20 4.090 -1.619 10.591 1.00 0.00 C ATOM 280 C SER A 20 2.949 -2.364 9.905 1.00 0.00 C ATOM 281 O SER A 20 2.180 -3.075 10.552 1.00 0.00 O ATOM 282 CB SER A 20 3.706 -0.153 10.796 1.00 0.00 C ATOM 283 OG SER A 20 2.977 0.020 11.998 1.00 0.00 O ATOM 0 H SER A 20 5.377 -1.058 9.033 1.00 0.00 H new ATOM 0 HA SER A 20 4.269 -2.079 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.606 0.462 10.821 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.108 0.191 9.952 1.00 0.00 H new ATOM 0 HG SER A 20 2.745 0.966 12.107 1.00 0.00 H new ATOM 289 N ILE A 21 2.847 -2.196 8.591 1.00 0.00 N ATOM 290 CA ILE A 21 1.802 -2.853 7.816 1.00 0.00 C ATOM 291 C ILE A 21 1.852 -4.366 7.997 1.00 0.00 C ATOM 292 O ILE A 21 0.817 -5.033 8.033 1.00 0.00 O ATOM 293 CB ILE A 21 1.921 -2.523 6.316 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.771 -1.017 6.089 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.877 -3.291 5.520 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.093 -0.583 4.677 1.00 0.00 C ATOM 0 H ILE A 21 3.475 -1.610 8.041 1.00 0.00 H new ATOM 0 HA ILE A 21 0.849 -2.476 8.188 1.00 0.00 H new ATOM 0 HB ILE A 21 2.909 -2.827 5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.749 -0.722 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.425 -0.487 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.974 -3.047 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.027 -4.361 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.119 -3.016 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.965 0.496 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.124 -0.846 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.422 -1.085 3.980 1.00 0.00 H new ATOM 308 N LEU A 22 3.061 -4.903 8.113 1.00 0.00 N ATOM 309 CA LEU A 22 3.247 -6.339 8.294 1.00 0.00 C ATOM 310 C LEU A 22 3.358 -6.692 9.773 1.00 0.00 C ATOM 311 O LEU A 22 3.519 -7.857 10.133 1.00 0.00 O ATOM 312 CB LEU A 22 4.499 -6.808 7.550 1.00 0.00 C ATOM 313 CG LEU A 22 4.541 -6.510 6.051 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.942 -6.728 5.502 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.534 -7.375 5.307 1.00 0.00 C ATOM 0 H LEU A 22 3.928 -4.366 8.085 1.00 0.00 H new ATOM 0 HA LEU A 22 2.375 -6.848 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.369 -6.345 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.598 -7.885 7.689 1.00 0.00 H new ATOM 0 HG LEU A 22 4.273 -5.464 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.952 -6.511 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.640 -6.066 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.239 -7.764 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.578 -7.149 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.771 -8.427 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.531 -7.169 5.681 1.00 0.00 H new ATOM 327 N GLY A 23 3.270 -5.676 10.627 1.00 0.00 N ATOM 328 CA GLY A 23 3.361 -5.900 12.058 1.00 0.00 C ATOM 329 C GLY A 23 4.692 -6.499 12.468 1.00 0.00 C ATOM 330 O GLY A 23 4.744 -7.400 13.304 1.00 0.00 O ATOM 0 H GLY A 23 3.137 -4.702 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.215 -4.955 12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.555 -6.564 12.371 1.00 0.00 H new ATOM 334 N ALA A 24 5.771 -5.997 11.877 1.00 0.00 N ATOM 335 CA ALA A 24 7.109 -6.487 12.186 1.00 0.00 C ATOM 336 C ALA A 24 7.994 -5.367 12.723 1.00 0.00 C ATOM 337 O ALA A 24 7.541 -4.236 12.899 1.00 0.00 O ATOM 338 CB ALA A 24 7.739 -7.115 10.952 1.00 0.00 C ATOM 0 H ALA A 24 5.745 -5.251 11.182 1.00 0.00 H new ATOM 0 HA ALA A 24 7.020 -7.247 12.962 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.738 -7.476 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.124 -7.949 10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.807 -6.370 10.159 1.00 0.00 H new ATOM 344 N ASP A 25 9.256 -5.690 12.981 1.00 0.00 N ATOM 345 CA ASP A 25 10.205 -4.710 13.498 1.00 0.00 C ATOM 346 C ASP A 25 11.221 -4.321 12.428 1.00 0.00 C ATOM 347 O ASP A 25 11.547 -5.101 11.534 1.00 0.00 O ATOM 348 CB ASP A 25 10.927 -5.267 14.726 1.00 0.00 C ATOM 349 CG ASP A 25 10.039 -5.300 15.955 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.221 -4.371 16.120 1.00 0.00 O ATOM 351 OD2 ASP A 25 10.163 -6.254 16.750 1.00 0.00 O ATOM 0 H ASP A 25 9.646 -6.622 12.841 1.00 0.00 H new ATOM 0 HA ASP A 25 9.649 -3.818 13.787 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.281 -6.275 14.510 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.807 -4.658 14.934 1.00 0.00 H new ATOM 356 N PRO A 26 11.733 -3.085 12.521 1.00 0.00 N ATOM 357 CA PRO A 26 12.718 -2.563 11.569 1.00 0.00 C ATOM 358 C PRO A 26 14.076 -3.242 11.710 1.00 0.00 C ATOM 359 O PRO A 26 15.007 -2.954 10.957 1.00 0.00 O ATOM 360 CB PRO A 26 12.820 -1.082 11.940 1.00 0.00 C ATOM 361 CG PRO A 26 12.420 -1.022 13.374 1.00 0.00 C ATOM 362 CD PRO A 26 11.390 -2.101 13.561 1.00 0.00 C ATOM 0 HA PRO A 26 12.418 -2.738 10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.833 -0.707 11.796 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.163 -0.472 11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.278 -1.184 14.026 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.010 -0.043 13.624 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.441 -2.537 14.559 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.378 -1.717 13.433 1.00 0.00 H new ATOM 370 N SER A 27 14.183 -4.146 12.678 1.00 0.00 N ATOM 371 CA SER A 27 15.429 -4.864 12.920 1.00 0.00 C ATOM 372 C SER A 27 15.220 -6.371 12.798 1.00 0.00 C ATOM 373 O SER A 27 15.988 -7.161 13.346 1.00 0.00 O ATOM 374 CB SER A 27 15.977 -4.525 14.307 1.00 0.00 C ATOM 375 OG SER A 27 17.391 -4.613 14.332 1.00 0.00 O ATOM 0 H SER A 27 13.422 -4.399 13.308 1.00 0.00 H new ATOM 0 HA SER A 27 16.151 -4.552 12.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.667 -3.518 14.588 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.554 -5.206 15.045 1.00 0.00 H new ATOM 0 HG SER A 27 17.717 -4.390 15.229 1.00 0.00 H new ATOM 381 N ALA A 28 14.175 -6.761 12.076 1.00 0.00 N ATOM 382 CA ALA A 28 13.865 -8.171 11.879 1.00 0.00 C ATOM 383 C ALA A 28 14.643 -8.745 10.700 1.00 0.00 C ATOM 384 O ALA A 28 15.387 -8.031 10.029 1.00 0.00 O ATOM 385 CB ALA A 28 12.370 -8.359 11.670 1.00 0.00 C ATOM 0 H ALA A 28 13.528 -6.119 11.617 1.00 0.00 H new ATOM 0 HA ALA A 28 14.166 -8.712 12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.153 -9.417 11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.832 -7.996 12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.052 -7.799 10.790 1.00 0.00 H new ATOM 391 N ASN A 29 14.466 -10.039 10.454 1.00 0.00 N ATOM 392 CA ASN A 29 15.153 -10.709 9.355 1.00 0.00 C ATOM 393 C ASN A 29 14.167 -11.112 8.263 1.00 0.00 C ATOM 394 O ASN A 29 12.977 -10.808 8.343 1.00 0.00 O ATOM 395 CB ASN A 29 15.895 -11.945 9.869 1.00 0.00 C ATOM 396 CG ASN A 29 17.245 -11.600 10.468 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.997 -10.799 9.913 1.00 0.00 O ATOM 398 ND2 ASN A 29 17.558 -12.207 11.607 1.00 0.00 N ATOM 0 H ASN A 29 13.853 -10.644 11.000 1.00 0.00 H new ATOM 0 HA ASN A 29 15.874 -10.011 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.284 -12.446 10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.034 -12.650 9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.453 -12.016 12.057 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.903 -12.864 12.031 1.00 0.00 H new ATOM 405 N MET A 30 14.671 -11.798 7.242 1.00 0.00 N ATOM 406 CA MET A 30 13.835 -12.244 6.134 1.00 0.00 C ATOM 407 C MET A 30 12.798 -13.258 6.609 1.00 0.00 C ATOM 408 O MET A 30 11.598 -13.072 6.410 1.00 0.00 O ATOM 409 CB MET A 30 14.698 -12.859 5.031 1.00 0.00 C ATOM 410 CG MET A 30 15.203 -11.844 4.018 1.00 0.00 C ATOM 411 SD MET A 30 13.939 -11.366 2.824 1.00 0.00 S ATOM 412 CE MET A 30 13.874 -9.596 3.089 1.00 0.00 C ATOM 0 H MET A 30 15.654 -12.057 7.159 1.00 0.00 H new ATOM 0 HA MET A 30 13.312 -11.375 5.734 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.551 -13.361 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 30 14.119 -13.622 4.511 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.555 -10.956 4.544 1.00 0.00 H new ATOM 0 HG3 MET A 30 16.059 -12.261 3.488 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.864 -9.235 2.892 1.00 0.00 H new ATOM 0 HE2 MET A 30 14.144 -9.372 4.121 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.574 -9.101 2.415 1.00 0.00 H new ATOM 422 N SER A 31 13.270 -14.330 7.237 1.00 0.00 N ATOM 423 CA SER A 31 12.384 -15.375 7.736 1.00 0.00 C ATOM 424 C SER A 31 11.212 -14.772 8.505 1.00 0.00 C ATOM 425 O SER A 31 10.052 -15.084 8.235 1.00 0.00 O ATOM 426 CB SER A 31 13.157 -16.341 8.636 1.00 0.00 C ATOM 427 OG SER A 31 12.295 -17.318 9.195 1.00 0.00 O ATOM 0 H SER A 31 14.261 -14.498 7.412 1.00 0.00 H new ATOM 0 HA SER A 31 11.990 -15.923 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.942 -16.831 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.648 -15.785 9.435 1.00 0.00 H new ATOM 0 HG SER A 31 12.813 -17.924 9.765 1.00 0.00 H new ATOM 433 N ASP A 32 11.525 -13.908 9.465 1.00 0.00 N ATOM 434 CA ASP A 32 10.499 -13.260 10.273 1.00 0.00 C ATOM 435 C ASP A 32 9.521 -12.488 9.394 1.00 0.00 C ATOM 436 O ASP A 32 8.366 -12.887 9.232 1.00 0.00 O ATOM 437 CB ASP A 32 11.142 -12.316 11.291 1.00 0.00 C ATOM 438 CG ASP A 32 11.526 -13.025 12.575 1.00 0.00 C ATOM 439 OD1 ASP A 32 12.243 -14.045 12.499 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.110 -12.559 13.657 1.00 0.00 O ATOM 0 H ASP A 32 12.480 -13.641 9.702 1.00 0.00 H new ATOM 0 HA ASP A 32 9.948 -14.036 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.030 -11.861 10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.449 -11.506 11.520 1.00 0.00 H new ATOM 445 N LEU A 33 9.989 -11.381 8.827 1.00 0.00 N ATOM 446 CA LEU A 33 9.155 -10.552 7.964 1.00 0.00 C ATOM 447 C LEU A 33 8.298 -11.414 7.042 1.00 0.00 C ATOM 448 O LEU A 33 7.093 -11.200 6.915 1.00 0.00 O ATOM 449 CB LEU A 33 10.026 -9.608 7.134 1.00 0.00 C ATOM 450 CG LEU A 33 10.798 -8.545 7.916 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.872 -7.915 7.043 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.849 -7.481 8.449 1.00 0.00 C ATOM 0 H LEU A 33 10.941 -11.037 8.950 1.00 0.00 H new ATOM 0 HA LEU A 33 8.493 -9.963 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.742 -10.207 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.390 -9.104 6.406 1.00 0.00 H new ATOM 0 HG LEU A 33 11.285 -9.027 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.411 -7.161 7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.569 -8.685 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.407 -7.447 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.416 -6.733 9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.334 -7.003 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.117 -7.945 9.110 1.00 0.00 H new ATOM 464 N LYS A 34 8.929 -12.393 6.402 1.00 0.00 N ATOM 465 CA LYS A 34 8.226 -13.292 5.495 1.00 0.00 C ATOM 466 C LYS A 34 7.090 -14.013 6.214 1.00 0.00 C ATOM 467 O LYS A 34 5.937 -13.953 5.788 1.00 0.00 O ATOM 468 CB LYS A 34 9.198 -14.314 4.901 1.00 0.00 C ATOM 469 CG LYS A 34 8.741 -14.887 3.570 1.00 0.00 C ATOM 470 CD LYS A 34 9.912 -15.420 2.762 1.00 0.00 C ATOM 471 CE LYS A 34 9.449 -16.390 1.685 1.00 0.00 C ATOM 472 NZ LYS A 34 10.594 -16.953 0.917 1.00 0.00 N ATOM 0 H LYS A 34 9.927 -12.584 6.495 1.00 0.00 H new ATOM 0 HA LYS A 34 7.800 -12.694 4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.172 -13.842 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.333 -15.130 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.023 -15.689 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.224 -14.116 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.445 -14.589 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.616 -15.921 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.886 -17.202 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.770 -15.878 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.237 -17.609 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.117 -16.181 0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.229 -17.463 1.564 1.00 0.00 H new ATOM 486 N GLN A 35 7.424 -14.692 7.307 1.00 0.00 N ATOM 487 CA GLN A 35 6.431 -15.423 8.085 1.00 0.00 C ATOM 488 C GLN A 35 5.164 -14.594 8.266 1.00 0.00 C ATOM 489 O GLN A 35 4.060 -15.058 7.981 1.00 0.00 O ATOM 490 CB GLN A 35 7.004 -15.807 9.450 1.00 0.00 C ATOM 491 CG GLN A 35 7.799 -17.102 9.434 1.00 0.00 C ATOM 492 CD GLN A 35 6.926 -18.324 9.644 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.012 -18.590 8.863 1.00 0.00 O ATOM 494 NE2 GLN A 35 7.205 -19.076 10.703 1.00 0.00 N ATOM 0 H GLN A 35 8.374 -14.751 7.673 1.00 0.00 H new ATOM 0 HA GLN A 35 6.174 -16.331 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.646 -15.001 9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.186 -15.901 10.164 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.321 -17.192 8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.561 -17.066 10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.972 -18.818 11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.652 -19.911 10.895 1.00 0.00 H new ATOM 503 N LYS A 36 5.330 -13.365 8.743 1.00 0.00 N ATOM 504 CA LYS A 36 4.201 -12.470 8.963 1.00 0.00 C ATOM 505 C LYS A 36 3.457 -12.202 7.658 1.00 0.00 C ATOM 506 O LYS A 36 2.264 -12.480 7.544 1.00 0.00 O ATOM 507 CB LYS A 36 4.680 -11.149 9.569 1.00 0.00 C ATOM 508 CG LYS A 36 4.849 -11.199 11.078 1.00 0.00 C ATOM 509 CD LYS A 36 6.192 -11.792 11.470 1.00 0.00 C ATOM 510 CE LYS A 36 6.577 -11.411 12.891 1.00 0.00 C ATOM 511 NZ LYS A 36 5.779 -12.160 13.901 1.00 0.00 N ATOM 0 H LYS A 36 6.237 -12.966 8.985 1.00 0.00 H new ATOM 0 HA LYS A 36 3.516 -12.955 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.631 -10.874 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.967 -10.364 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.761 -10.193 11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.047 -11.793 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.151 -12.878 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.960 -11.445 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.637 -11.610 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.429 -10.340 13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.071 -11.872 14.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.769 -11.951 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.939 -13.181 13.783 1.00 0.00 H new ATOM 525 N TYR A 37 4.171 -11.661 6.676 1.00 0.00 N ATOM 526 CA TYR A 37 3.578 -11.355 5.380 1.00 0.00 C ATOM 527 C TYR A 37 2.639 -12.471 4.933 1.00 0.00 C ATOM 528 O TYR A 37 1.453 -12.242 4.701 1.00 0.00 O ATOM 529 CB TYR A 37 4.673 -11.144 4.333 1.00 0.00 C ATOM 530 CG TYR A 37 4.149 -11.067 2.916 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.599 -9.892 2.421 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.204 -12.171 2.074 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.118 -9.817 1.128 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.727 -12.105 0.779 1.00 0.00 C ATOM 535 CZ TYR A 37 3.185 -10.926 0.311 1.00 0.00 C ATOM 536 OH TYR A 37 2.708 -10.857 -0.978 1.00 0.00 O ATOM 0 H TYR A 37 5.160 -11.426 6.753 1.00 0.00 H new ATOM 0 HA TYR A 37 2.999 -10.437 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.212 -10.225 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.392 -11.960 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.546 -9.021 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.627 -13.096 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.692 -8.896 0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.778 -12.972 0.137 1.00 0.00 H new ATOM 0 HH TYR A 37 2.831 -11.723 -1.419 1.00 0.00 H new ATOM 546 N GLN A 38 3.181 -13.679 4.815 1.00 0.00 N ATOM 547 CA GLN A 38 2.392 -14.831 4.395 1.00 0.00 C ATOM 548 C GLN A 38 1.121 -14.953 5.229 1.00 0.00 C ATOM 549 O GLN A 38 0.057 -15.297 4.713 1.00 0.00 O ATOM 550 CB GLN A 38 3.219 -16.112 4.513 1.00 0.00 C ATOM 551 CG GLN A 38 4.290 -16.246 3.443 1.00 0.00 C ATOM 552 CD GLN A 38 4.589 -17.690 3.094 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.167 -18.188 2.050 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.322 -18.372 3.967 1.00 0.00 N ATOM 0 H GLN A 38 4.162 -13.885 5.004 1.00 0.00 H new ATOM 0 HA GLN A 38 2.108 -14.685 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.692 -16.140 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.551 -16.972 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.969 -15.718 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.204 -15.763 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.651 -17.920 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.556 -19.348 3.784 1.00 0.00 H new ATOM 563 N LYS A 39 1.238 -14.671 6.522 1.00 0.00 N ATOM 564 CA LYS A 39 0.099 -14.748 7.430 1.00 0.00 C ATOM 565 C LYS A 39 -0.874 -13.600 7.180 1.00 0.00 C ATOM 566 O LYS A 39 -2.043 -13.669 7.562 1.00 0.00 O ATOM 567 CB LYS A 39 0.576 -14.720 8.883 1.00 0.00 C ATOM 568 CG LYS A 39 -0.383 -14.012 9.825 1.00 0.00 C ATOM 569 CD LYS A 39 -0.121 -14.387 11.274 1.00 0.00 C ATOM 570 CE LYS A 39 -1.339 -14.126 12.146 1.00 0.00 C ATOM 571 NZ LYS A 39 -1.134 -14.603 13.542 1.00 0.00 N ATOM 0 H LYS A 39 2.111 -14.387 6.966 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.420 -15.688 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.722 -15.743 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.547 -14.227 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.283 -12.933 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.409 -14.269 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.152 -15.440 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.727 -13.816 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.557 -13.058 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.207 -14.625 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.986 -14.407 14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.951 -15.627 13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.321 -14.109 13.962 1.00 0.00 H new ATOM 585 N LEU A 40 -0.385 -12.546 6.537 1.00 0.00 N ATOM 586 CA LEU A 40 -1.212 -11.383 6.234 1.00 0.00 C ATOM 587 C LEU A 40 -1.648 -11.389 4.773 1.00 0.00 C ATOM 588 O LEU A 40 -2.197 -10.406 4.274 1.00 0.00 O ATOM 589 CB LEU A 40 -0.448 -10.094 6.545 1.00 0.00 C ATOM 590 CG LEU A 40 -0.058 -9.881 8.008 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.969 -8.766 8.129 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.288 -9.570 8.848 1.00 0.00 C ATOM 0 H LEU A 40 0.580 -12.472 6.215 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.103 -11.430 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.460 -10.079 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.057 -9.248 6.225 1.00 0.00 H new ATOM 0 HG LEU A 40 0.389 -10.801 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.235 -8.628 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.861 -9.029 7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.549 -7.840 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.991 -9.421 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.765 -8.664 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.990 -10.401 8.787 1.00 0.00 H new ATOM 604 N ILE A 41 -1.402 -12.504 4.093 1.00 0.00 N ATOM 605 CA ILE A 41 -1.772 -12.639 2.689 1.00 0.00 C ATOM 606 C ILE A 41 -3.030 -13.487 2.532 1.00 0.00 C ATOM 607 O ILE A 41 -3.731 -13.397 1.523 1.00 0.00 O ATOM 608 CB ILE A 41 -0.635 -13.271 1.865 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.485 -12.253 1.637 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.167 -13.788 0.537 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.117 -11.160 0.658 1.00 0.00 C ATOM 0 H ILE A 41 -0.948 -13.326 4.491 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.965 -11.633 2.315 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.227 -14.114 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.753 -11.800 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.370 -12.774 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.351 -14.232 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.933 -14.541 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.598 -12.962 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.957 -10.475 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.123 -11.603 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.749 -10.614 1.031 1.00 0.00 H new ATOM 623 N LEU A 42 -3.312 -14.310 3.536 1.00 0.00 N ATOM 624 CA LEU A 42 -4.487 -15.173 3.511 1.00 0.00 C ATOM 625 C LEU A 42 -5.587 -14.622 4.413 1.00 0.00 C ATOM 626 O LEU A 42 -6.690 -15.168 4.470 1.00 0.00 O ATOM 627 CB LEU A 42 -4.113 -16.590 3.952 1.00 0.00 C ATOM 628 CG LEU A 42 -2.920 -16.704 4.902 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.292 -16.203 6.288 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.427 -18.142 4.967 1.00 0.00 C ATOM 0 H LEU A 42 -2.743 -14.398 4.378 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.863 -15.204 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.981 -17.040 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.901 -17.182 3.062 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.112 -16.081 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.431 -16.292 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.597 -15.158 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.115 -16.799 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.578 -18.205 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.229 -18.786 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.120 -18.467 3.973 1.00 0.00 H new ATOM 642 N LEU A 43 -5.281 -13.536 5.114 1.00 0.00 N ATOM 643 CA LEU A 43 -6.245 -12.909 6.012 1.00 0.00 C ATOM 644 C LEU A 43 -7.097 -11.886 5.267 1.00 0.00 C ATOM 645 O LEU A 43 -8.206 -11.561 5.690 1.00 0.00 O ATOM 646 CB LEU A 43 -5.521 -12.234 7.178 1.00 0.00 C ATOM 647 CG LEU A 43 -5.078 -13.155 8.316 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.190 -12.404 9.296 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.287 -13.740 9.030 1.00 0.00 C ATOM 0 H LEU A 43 -4.374 -13.071 5.078 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.902 -13.687 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.641 -11.724 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.176 -11.467 7.592 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.501 -13.975 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.885 -13.075 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.306 -12.034 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.742 -11.563 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.953 -14.393 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.891 -12.933 9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.885 -14.315 8.322 1.00 0.00 H new ATOM 661 N TYR A 44 -6.571 -11.383 4.156 1.00 0.00 N ATOM 662 CA TYR A 44 -7.283 -10.396 3.352 1.00 0.00 C ATOM 663 C TYR A 44 -7.431 -10.873 1.911 1.00 0.00 C ATOM 664 O TYR A 44 -7.955 -10.155 1.058 1.00 0.00 O ATOM 665 CB TYR A 44 -6.548 -9.055 3.385 1.00 0.00 C ATOM 666 CG TYR A 44 -6.372 -8.495 4.778 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.351 -7.696 5.355 1.00 0.00 C ATOM 668 CD2 TYR A 44 -5.226 -8.763 5.516 1.00 0.00 C ATOM 669 CE1 TYR A 44 -7.194 -7.181 6.628 1.00 0.00 C ATOM 670 CE2 TYR A 44 -5.061 -8.254 6.790 1.00 0.00 C ATOM 671 CZ TYR A 44 -6.048 -7.463 7.341 1.00 0.00 C ATOM 672 OH TYR A 44 -5.887 -6.953 8.609 1.00 0.00 O ATOM 0 H TYR A 44 -5.654 -11.642 3.791 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.278 -10.267 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.567 -9.176 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.097 -8.334 2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.250 -7.473 4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.451 -9.380 5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.965 -6.561 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.165 -8.474 7.351 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.026 -7.247 8.973 1.00 0.00 H new ATOM 682 N HIS A 45 -6.966 -12.090 1.646 1.00 0.00 N ATOM 683 CA HIS A 45 -7.048 -12.665 0.308 1.00 0.00 C ATOM 684 C HIS A 45 -8.486 -12.657 -0.200 1.00 0.00 C ATOM 685 O HIS A 45 -9.434 -12.918 0.542 1.00 0.00 O ATOM 686 CB HIS A 45 -6.503 -14.093 0.310 1.00 0.00 C ATOM 687 CG HIS A 45 -5.920 -14.514 -1.005 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.674 -15.058 -2.023 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.648 -14.465 -1.465 1.00 0.00 C ATOM 690 CE1 HIS A 45 -5.891 -15.328 -3.052 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.656 -14.977 -2.739 1.00 0.00 N ATOM 0 H HIS A 45 -6.529 -12.697 2.340 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.442 -12.054 -0.361 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.738 -14.180 1.082 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.306 -14.779 0.578 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.787 -14.093 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.206 -15.762 -3.989 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.841 -15.071 -3.345 1.00 0.00 H new ATOM 700 N PRO A 46 -8.656 -12.351 -1.495 1.00 0.00 N ATOM 701 CA PRO A 46 -9.976 -12.302 -2.131 1.00 0.00 C ATOM 702 C PRO A 46 -10.601 -13.685 -2.275 1.00 0.00 C ATOM 703 O PRO A 46 -11.761 -13.892 -1.917 1.00 0.00 O ATOM 704 CB PRO A 46 -9.684 -11.700 -3.508 1.00 0.00 C ATOM 705 CG PRO A 46 -8.259 -12.040 -3.776 1.00 0.00 C ATOM 706 CD PRO A 46 -7.572 -12.029 -2.438 1.00 0.00 C ATOM 0 HA PRO A 46 -10.691 -11.727 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.341 -12.119 -4.270 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.841 -10.621 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.174 -13.018 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.806 -11.316 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.769 -12.764 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.127 -11.057 -2.223 1.00 0.00 H new ATOM 714 N ASP A 47 -9.827 -14.627 -2.802 1.00 0.00 N ATOM 715 CA ASP A 47 -10.305 -15.991 -2.992 1.00 0.00 C ATOM 716 C ASP A 47 -10.698 -16.621 -1.659 1.00 0.00 C ATOM 717 O ASP A 47 -11.709 -17.315 -1.562 1.00 0.00 O ATOM 718 CB ASP A 47 -9.231 -16.840 -3.675 1.00 0.00 C ATOM 719 CG ASP A 47 -9.773 -18.163 -4.178 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.574 -18.791 -3.455 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.397 -18.571 -5.297 1.00 0.00 O ATOM 0 H ASP A 47 -8.866 -14.471 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.188 -15.954 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.808 -16.282 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.419 -17.027 -2.973 1.00 0.00 H new ATOM 726 N LYS A 48 -9.889 -16.374 -0.634 1.00 0.00 N ATOM 727 CA LYS A 48 -10.151 -16.916 0.695 1.00 0.00 C ATOM 728 C LYS A 48 -11.247 -16.123 1.399 1.00 0.00 C ATOM 729 O LYS A 48 -11.090 -15.720 2.552 1.00 0.00 O ATOM 730 CB LYS A 48 -8.873 -16.898 1.536 1.00 0.00 C ATOM 731 CG LYS A 48 -7.722 -17.668 0.911 1.00 0.00 C ATOM 732 CD LYS A 48 -6.792 -18.237 1.969 1.00 0.00 C ATOM 733 CE LYS A 48 -5.392 -18.461 1.418 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.840 -17.230 0.788 1.00 0.00 N ATOM 0 H LYS A 48 -9.047 -15.802 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.489 -17.946 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.565 -15.864 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.089 -17.318 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.116 -18.478 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.161 -17.010 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.745 -17.555 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.194 -19.180 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.732 -18.784 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.415 -19.266 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.868 -17.074 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.835 -17.341 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.430 -16.414 1.046 1.00 0.00 H new ATOM 748 N GLN A 49 -12.356 -15.905 0.700 1.00 0.00 N ATOM 749 CA GLN A 49 -13.478 -15.161 1.261 1.00 0.00 C ATOM 750 C GLN A 49 -14.759 -15.987 1.210 1.00 0.00 C ATOM 751 O GLN A 49 -14.743 -17.151 0.808 1.00 0.00 O ATOM 752 CB GLN A 49 -13.675 -13.846 0.504 1.00 0.00 C ATOM 753 CG GLN A 49 -12.499 -12.891 0.629 1.00 0.00 C ATOM 754 CD GLN A 49 -12.286 -12.410 2.051 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.064 -11.611 2.571 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.227 -12.897 2.688 1.00 0.00 N ATOM 0 H GLN A 49 -12.502 -16.233 -0.255 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.250 -14.941 2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.844 -14.065 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.574 -13.353 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.594 -13.387 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.663 -12.031 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.608 -13.558 2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.033 -12.610 3.647 1.00 0.00 H new ATOM 765 N SER A 50 -15.867 -15.378 1.619 1.00 0.00 N ATOM 766 CA SER A 50 -17.156 -16.059 1.624 1.00 0.00 C ATOM 767 C SER A 50 -18.278 -15.095 1.998 1.00 0.00 C ATOM 768 O SER A 50 -18.053 -14.101 2.688 1.00 0.00 O ATOM 769 CB SER A 50 -17.132 -17.236 2.601 1.00 0.00 C ATOM 770 OG SER A 50 -16.704 -18.424 1.958 1.00 0.00 O ATOM 0 H SER A 50 -15.898 -14.414 1.951 1.00 0.00 H new ATOM 0 HA SER A 50 -17.344 -16.435 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.465 -17.009 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.127 -17.384 3.021 1.00 0.00 H new ATOM 0 HG SER A 50 -15.862 -18.255 1.485 1.00 0.00 H new ATOM 776 N ALA A 51 -19.488 -15.398 1.538 1.00 0.00 N ATOM 777 CA ALA A 51 -20.646 -14.561 1.826 1.00 0.00 C ATOM 778 C ALA A 51 -20.716 -14.211 3.309 1.00 0.00 C ATOM 779 O ALA A 51 -21.288 -13.189 3.689 1.00 0.00 O ATOM 780 CB ALA A 51 -21.924 -15.259 1.386 1.00 0.00 C ATOM 0 H ALA A 51 -19.691 -16.217 0.965 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.540 -13.632 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.781 -14.623 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.883 -15.452 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -22.026 -16.203 1.921 1.00 0.00 H new ATOM 786 N ASP A 52 -20.131 -15.065 4.141 1.00 0.00 N ATOM 787 CA ASP A 52 -20.126 -14.845 5.583 1.00 0.00 C ATOM 788 C ASP A 52 -19.738 -13.407 5.913 1.00 0.00 C ATOM 789 O ASP A 52 -20.410 -12.735 6.695 1.00 0.00 O ATOM 790 CB ASP A 52 -19.161 -15.816 6.265 1.00 0.00 C ATOM 791 CG ASP A 52 -17.714 -15.385 6.129 1.00 0.00 C ATOM 792 OD1 ASP A 52 -17.195 -15.398 4.993 1.00 0.00 O ATOM 793 OD2 ASP A 52 -17.100 -15.034 7.158 1.00 0.00 O ATOM 0 H ASP A 52 -19.654 -15.916 3.842 1.00 0.00 H new ATOM 0 HA ASP A 52 -21.134 -15.024 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.416 -15.895 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.283 -16.809 5.833 1.00 0.00 H new ATOM 798 N VAL A 53 -18.648 -12.941 5.311 1.00 0.00 N ATOM 799 CA VAL A 53 -18.170 -11.583 5.541 1.00 0.00 C ATOM 800 C VAL A 53 -19.047 -10.563 4.823 1.00 0.00 C ATOM 801 O VAL A 53 -19.457 -10.756 3.678 1.00 0.00 O ATOM 802 CB VAL A 53 -16.714 -11.413 5.069 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.812 -12.436 5.742 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.628 -11.529 3.554 1.00 0.00 C ATOM 0 H VAL A 53 -18.080 -13.484 4.661 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.219 -11.408 6.616 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.372 -10.418 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.787 -12.301 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.851 -12.301 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.150 -13.441 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.592 -11.406 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.989 -12.510 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.242 -10.754 3.094 1.00 0.00 H new ATOM 814 N PRO A 54 -19.343 -9.450 5.510 1.00 0.00 N ATOM 815 CA PRO A 54 -20.174 -8.376 4.957 1.00 0.00 C ATOM 816 C PRO A 54 -19.470 -7.616 3.838 1.00 0.00 C ATOM 817 O PRO A 54 -18.264 -7.760 3.640 1.00 0.00 O ATOM 818 CB PRO A 54 -20.413 -7.458 6.159 1.00 0.00 C ATOM 819 CG PRO A 54 -19.254 -7.706 7.061 1.00 0.00 C ATOM 820 CD PRO A 54 -18.889 -9.153 6.879 1.00 0.00 C ATOM 0 HA PRO A 54 -21.090 -8.760 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.462 -6.412 5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.356 -7.690 6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.416 -7.057 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.515 -7.497 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.817 -9.314 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.385 -9.788 7.613 1.00 0.00 H new ATOM 828 N ALA A 55 -20.231 -6.807 3.109 1.00 0.00 N ATOM 829 CA ALA A 55 -19.680 -6.022 2.011 1.00 0.00 C ATOM 830 C ALA A 55 -18.663 -5.006 2.519 1.00 0.00 C ATOM 831 O ALA A 55 -17.591 -4.842 1.939 1.00 0.00 O ATOM 832 CB ALA A 55 -20.795 -5.321 1.251 1.00 0.00 C ATOM 0 H ALA A 55 -21.232 -6.678 3.259 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.166 -6.703 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.368 -4.739 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.483 -6.064 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.334 -4.657 1.927 1.00 0.00 H new ATOM 838 N GLY A 56 -19.008 -4.324 3.608 1.00 0.00 N ATOM 839 CA GLY A 56 -18.114 -3.331 4.175 1.00 0.00 C ATOM 840 C GLY A 56 -16.716 -3.871 4.402 1.00 0.00 C ATOM 841 O GLY A 56 -15.731 -3.149 4.250 1.00 0.00 O ATOM 0 H GLY A 56 -19.890 -4.442 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.064 -2.470 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.522 -2.978 5.122 1.00 0.00 H new ATOM 845 N THR A 57 -16.628 -5.147 4.767 1.00 0.00 N ATOM 846 CA THR A 57 -15.341 -5.782 5.017 1.00 0.00 C ATOM 847 C THR A 57 -14.586 -6.027 3.716 1.00 0.00 C ATOM 848 O THR A 57 -13.357 -5.966 3.679 1.00 0.00 O ATOM 849 CB THR A 57 -15.510 -7.122 5.759 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.194 -6.912 6.999 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.159 -7.770 6.022 1.00 0.00 C ATOM 0 H THR A 57 -17.433 -5.760 4.896 1.00 0.00 H new ATOM 0 HA THR A 57 -14.768 -5.098 5.643 1.00 0.00 H new ATOM 0 HB THR A 57 -16.098 -7.789 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.299 -7.768 7.464 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.304 -8.714 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.654 -7.956 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.549 -7.105 6.634 1.00 0.00 H new ATOM 859 N MET A 58 -15.329 -6.305 2.649 1.00 0.00 N ATOM 860 CA MET A 58 -14.728 -6.557 1.345 1.00 0.00 C ATOM 861 C MET A 58 -13.961 -5.333 0.853 1.00 0.00 C ATOM 862 O MET A 58 -12.802 -5.436 0.456 1.00 0.00 O ATOM 863 CB MET A 58 -15.806 -6.940 0.329 1.00 0.00 C ATOM 864 CG MET A 58 -15.275 -7.741 -0.848 1.00 0.00 C ATOM 865 SD MET A 58 -14.486 -9.281 -0.340 1.00 0.00 S ATOM 866 CE MET A 58 -12.770 -8.918 -0.705 1.00 0.00 C ATOM 0 H MET A 58 -16.347 -6.361 2.662 1.00 0.00 H new ATOM 0 HA MET A 58 -14.027 -7.385 1.450 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.579 -7.520 0.833 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.281 -6.033 -0.044 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.095 -7.965 -1.530 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.558 -7.135 -1.401 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.126 -9.557 -0.100 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.576 -9.103 -1.761 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.562 -7.873 -0.476 1.00 0.00 H new ATOM 876 N GLU A 59 -14.618 -4.178 0.884 1.00 0.00 N ATOM 877 CA GLU A 59 -13.996 -2.935 0.440 1.00 0.00 C ATOM 878 C GLU A 59 -12.681 -2.692 1.175 1.00 0.00 C ATOM 879 O GLU A 59 -11.641 -2.480 0.552 1.00 0.00 O ATOM 880 CB GLU A 59 -14.945 -1.756 0.665 1.00 0.00 C ATOM 881 CG GLU A 59 -14.640 -0.554 -0.212 1.00 0.00 C ATOM 882 CD GLU A 59 -13.456 0.250 0.290 1.00 0.00 C ATOM 883 OE1 GLU A 59 -13.642 1.065 1.217 1.00 0.00 O ATOM 884 OE2 GLU A 59 -12.343 0.063 -0.246 1.00 0.00 O ATOM 0 H GLU A 59 -15.579 -4.077 1.211 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.785 -3.024 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.968 -2.083 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.894 -1.454 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.440 -0.892 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.518 0.090 -0.258 1.00 0.00 H new ATOM 891 N GLU A 60 -12.737 -2.724 2.503 1.00 0.00 N ATOM 892 CA GLU A 60 -11.551 -2.506 3.322 1.00 0.00 C ATOM 893 C GLU A 60 -10.515 -3.600 3.082 1.00 0.00 C ATOM 894 O GLU A 60 -9.314 -3.332 3.027 1.00 0.00 O ATOM 895 CB GLU A 60 -11.928 -2.462 4.804 1.00 0.00 C ATOM 896 CG GLU A 60 -12.901 -1.347 5.151 1.00 0.00 C ATOM 897 CD GLU A 60 -12.204 -0.028 5.423 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.657 0.562 4.468 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.207 0.414 6.591 1.00 0.00 O ATOM 0 H GLU A 60 -13.590 -2.899 3.034 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.116 -1.548 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.368 -3.418 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.022 -2.340 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.607 -1.218 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.480 -1.635 6.028 1.00 0.00 H new ATOM 906 N CYS A 61 -10.988 -4.833 2.941 1.00 0.00 N ATOM 907 CA CYS A 61 -10.103 -5.970 2.709 1.00 0.00 C ATOM 908 C CYS A 61 -9.123 -5.673 1.579 1.00 0.00 C ATOM 909 O CYS A 61 -7.954 -6.053 1.643 1.00 0.00 O ATOM 910 CB CYS A 61 -10.921 -7.219 2.377 1.00 0.00 C ATOM 911 SG CYS A 61 -9.967 -8.755 2.409 1.00 0.00 S ATOM 0 H CYS A 61 -11.979 -5.072 2.983 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.534 -6.149 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.745 -7.300 3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.363 -7.099 1.388 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.194 -8.808 1.365 1.00 0.00 H new ATOM 917 N MET A 62 -9.608 -4.994 0.545 1.00 0.00 N ATOM 918 CA MET A 62 -8.773 -4.647 -0.600 1.00 0.00 C ATOM 919 C MET A 62 -7.624 -3.736 -0.179 1.00 0.00 C ATOM 920 O MET A 62 -6.457 -4.120 -0.255 1.00 0.00 O ATOM 921 CB MET A 62 -9.612 -3.963 -1.681 1.00 0.00 C ATOM 922 CG MET A 62 -9.009 -4.064 -3.073 1.00 0.00 C ATOM 923 SD MET A 62 -9.320 -5.661 -3.850 1.00 0.00 S ATOM 924 CE MET A 62 -7.684 -6.389 -3.792 1.00 0.00 C ATOM 0 H MET A 62 -10.574 -4.673 0.476 1.00 0.00 H new ATOM 0 HA MET A 62 -8.353 -5.568 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.607 -4.407 -1.692 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.735 -2.911 -1.423 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.419 -3.273 -3.701 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.934 -3.897 -3.012 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.770 -7.470 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.151 -6.161 -4.715 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.134 -5.980 -2.945 1.00 0.00 H new ATOM 934 N GLN A 63 -7.963 -2.530 0.264 1.00 0.00 N ATOM 935 CA GLN A 63 -6.959 -1.565 0.695 1.00 0.00 C ATOM 936 C GLN A 63 -5.806 -2.262 1.410 1.00 0.00 C ATOM 937 O GLN A 63 -4.637 -2.026 1.103 1.00 0.00 O ATOM 938 CB GLN A 63 -7.588 -0.519 1.617 1.00 0.00 C ATOM 939 CG GLN A 63 -8.187 0.665 0.876 1.00 0.00 C ATOM 940 CD GLN A 63 -7.167 1.396 0.025 1.00 0.00 C ATOM 941 OE1 GLN A 63 -5.973 1.390 0.324 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.634 2.032 -1.043 1.00 0.00 N ATOM 0 H GLN A 63 -8.925 -2.198 0.334 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.566 -1.068 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.366 -0.994 2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.830 -0.156 2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.002 0.317 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.618 1.360 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.632 2.011 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.995 2.542 -1.653 1.00 0.00 H new ATOM 951 N LYS A 64 -6.142 -3.122 2.365 1.00 0.00 N ATOM 952 CA LYS A 64 -5.136 -3.856 3.124 1.00 0.00 C ATOM 953 C LYS A 64 -4.311 -4.754 2.208 1.00 0.00 C ATOM 954 O LYS A 64 -3.119 -4.524 2.005 1.00 0.00 O ATOM 955 CB LYS A 64 -5.802 -4.696 4.215 1.00 0.00 C ATOM 956 CG LYS A 64 -6.711 -3.895 5.130 1.00 0.00 C ATOM 957 CD LYS A 64 -5.945 -3.309 6.304 1.00 0.00 C ATOM 958 CE LYS A 64 -5.671 -4.358 7.371 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.741 -3.855 8.419 1.00 0.00 N ATOM 0 H LYS A 64 -7.105 -3.328 2.632 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.469 -3.131 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.382 -5.491 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.029 -5.176 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.182 -3.091 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.512 -4.535 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.002 -2.892 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.515 -2.487 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.611 -4.659 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.246 -5.247 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.580 -4.600 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.835 -3.592 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.157 -3.022 8.882 1.00 0.00 H new ATOM 973 N PHE A 65 -4.954 -5.778 1.656 1.00 0.00 N ATOM 974 CA PHE A 65 -4.280 -6.711 0.760 1.00 0.00 C ATOM 975 C PHE A 65 -3.304 -5.977 -0.156 1.00 0.00 C ATOM 976 O PHE A 65 -2.189 -6.442 -0.391 1.00 0.00 O ATOM 977 CB PHE A 65 -5.305 -7.477 -0.078 1.00 0.00 C ATOM 978 CG PHE A 65 -4.687 -8.470 -1.020 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.073 -9.615 -0.537 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.718 -8.258 -2.389 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.504 -10.531 -1.402 1.00 0.00 C ATOM 982 CE2 PHE A 65 -4.151 -9.171 -3.258 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.542 -10.308 -2.764 1.00 0.00 C ATOM 0 H PHE A 65 -5.941 -5.983 1.813 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.717 -7.418 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.991 -7.999 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.899 -6.765 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.039 -9.794 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.190 -7.370 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.030 -11.420 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.184 -8.995 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.096 -11.021 -3.442 1.00 0.00 H new ATOM 993 N ILE A 66 -3.733 -4.829 -0.668 1.00 0.00 N ATOM 994 CA ILE A 66 -2.898 -4.030 -1.557 1.00 0.00 C ATOM 995 C ILE A 66 -1.617 -3.588 -0.859 1.00 0.00 C ATOM 996 O ILE A 66 -0.515 -3.857 -1.335 1.00 0.00 O ATOM 997 CB ILE A 66 -3.648 -2.785 -2.066 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.821 -3.198 -2.958 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.699 -1.867 -2.821 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.898 -2.142 -3.066 1.00 0.00 C ATOM 0 H ILE A 66 -4.654 -4.431 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.645 -4.664 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.043 -2.241 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.446 -3.426 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.260 -4.115 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.244 -0.992 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.894 -1.550 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.278 -2.401 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.698 -2.503 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.301 -1.930 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.473 -1.231 -3.487 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.771 -2.911 0.275 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.625 -2.433 1.040 1.00 0.00 C ATOM 1014 C GLU A 67 0.302 -3.587 1.409 1.00 0.00 C ATOM 1015 O GLU A 67 1.520 -3.492 1.256 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.094 -1.715 2.307 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.556 -0.288 2.063 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.403 0.253 3.198 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -1.828 0.644 4.234 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.643 0.285 3.049 1.00 0.00 O ATOM 0 H GLU A 67 -2.677 -2.681 0.684 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.071 -1.731 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.911 -2.281 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.280 -1.705 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.685 0.353 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.129 -0.249 1.137 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.283 -4.676 1.897 1.00 0.00 N ATOM 1028 CA ILE A 68 0.490 -5.848 2.287 1.00 0.00 C ATOM 1029 C ILE A 68 1.346 -6.353 1.131 1.00 0.00 C ATOM 1030 O ILE A 68 2.484 -6.780 1.328 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.425 -6.990 2.771 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.341 -6.498 3.893 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.409 -8.173 3.239 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.641 -7.264 3.991 1.00 0.00 C ATOM 0 H ILE A 68 -1.290 -4.771 2.032 1.00 0.00 H new ATOM 0 HA ILE A 68 1.138 -5.539 3.107 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.047 -7.316 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.812 -6.574 4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.562 -5.442 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.251 -8.972 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.023 -8.535 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.053 -7.861 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.240 -6.861 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.192 -7.168 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.430 -8.316 4.181 1.00 0.00 H new ATOM 1046 N ASP A 69 0.792 -6.299 -0.075 1.00 0.00 N ATOM 1047 CA ASP A 69 1.506 -6.748 -1.265 1.00 0.00 C ATOM 1048 C ASP A 69 2.672 -5.817 -1.583 1.00 0.00 C ATOM 1049 O ASP A 69 3.558 -6.162 -2.364 1.00 0.00 O ATOM 1050 CB ASP A 69 0.554 -6.820 -2.460 1.00 0.00 C ATOM 1051 CG ASP A 69 1.113 -7.652 -3.597 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.911 -8.572 -3.321 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.755 -7.383 -4.763 1.00 0.00 O ATOM 0 H ASP A 69 -0.149 -5.949 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 69 1.903 -7.743 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.397 -7.243 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.349 -5.811 -2.819 1.00 0.00 H new ATOM 1058 N GLN A 70 2.662 -4.636 -0.973 1.00 0.00 N ATOM 1059 CA GLN A 70 3.719 -3.655 -1.193 1.00 0.00 C ATOM 1060 C GLN A 70 4.804 -3.776 -0.129 1.00 0.00 C ATOM 1061 O GLN A 70 5.995 -3.739 -0.436 1.00 0.00 O ATOM 1062 CB GLN A 70 3.138 -2.240 -1.188 1.00 0.00 C ATOM 1063 CG GLN A 70 2.644 -1.780 -2.551 1.00 0.00 C ATOM 1064 CD GLN A 70 1.809 -0.518 -2.473 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.312 0.587 -2.682 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.525 -0.674 -2.171 1.00 0.00 N ATOM 0 H GLN A 70 1.935 -4.335 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 70 4.168 -3.853 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.312 -2.198 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.899 -1.545 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.500 -1.605 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.053 -2.575 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.150 -1.608 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.086 0.140 -2.105 1.00 0.00 H new ATOM 1075 N ALA A 71 4.384 -3.920 1.124 1.00 0.00 N ATOM 1076 CA ALA A 71 5.320 -4.048 2.234 1.00 0.00 C ATOM 1077 C ALA A 71 6.367 -5.119 1.948 1.00 0.00 C ATOM 1078 O ALA A 71 7.505 -5.027 2.410 1.00 0.00 O ATOM 1079 CB ALA A 71 4.573 -4.368 3.520 1.00 0.00 C ATOM 0 H ALA A 71 3.401 -3.951 1.395 1.00 0.00 H new ATOM 0 HA ALA A 71 5.836 -3.095 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.284 -4.461 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.868 -3.567 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.031 -5.306 3.402 1.00 0.00 H new ATOM 1085 N TRP A 72 5.976 -6.133 1.185 1.00 0.00 N ATOM 1086 CA TRP A 72 6.882 -7.222 0.838 1.00 0.00 C ATOM 1087 C TRP A 72 7.765 -6.841 -0.345 1.00 0.00 C ATOM 1088 O TRP A 72 8.907 -7.289 -0.451 1.00 0.00 O ATOM 1089 CB TRP A 72 6.089 -8.489 0.511 1.00 0.00 C ATOM 1090 CG TRP A 72 6.951 -9.704 0.347 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.956 -10.568 -0.710 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.931 -10.190 1.270 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.881 -11.562 -0.500 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.493 -11.353 0.707 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.390 -9.756 2.516 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.488 -12.084 1.349 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.378 -10.483 3.153 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.919 -11.636 2.569 1.00 0.00 C ATOM 0 H TRP A 72 5.038 -6.224 0.795 1.00 0.00 H new ATOM 0 HA TRP A 72 7.523 -7.415 1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.365 -8.671 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.523 -8.328 -0.406 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.326 -10.483 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.080 -12.331 -1.140 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.980 -8.868 2.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.906 -12.973 0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.739 -10.157 4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.691 -12.182 3.091 1.00 0.00 H new ATOM 1109 N LYS A 73 7.230 -6.010 -1.233 1.00 0.00 N ATOM 1110 CA LYS A 73 7.969 -5.566 -2.409 1.00 0.00 C ATOM 1111 C LYS A 73 9.220 -4.793 -2.005 1.00 0.00 C ATOM 1112 O LYS A 73 10.241 -4.843 -2.692 1.00 0.00 O ATOM 1113 CB LYS A 73 7.080 -4.691 -3.296 1.00 0.00 C ATOM 1114 CG LYS A 73 6.172 -5.486 -4.219 1.00 0.00 C ATOM 1115 CD LYS A 73 5.498 -4.590 -5.244 1.00 0.00 C ATOM 1116 CE LYS A 73 4.264 -3.913 -4.667 1.00 0.00 C ATOM 1117 NZ LYS A 73 3.320 -3.478 -5.734 1.00 0.00 N ATOM 0 H LYS A 73 6.286 -5.630 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 73 8.274 -6.449 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.468 -4.049 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.712 -4.037 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.753 -6.253 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.413 -6.001 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.203 -3.833 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.216 -5.181 -6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.756 -4.600 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.567 -3.049 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.492 -3.021 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.797 -2.803 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.011 -4.306 -6.283 1.00 0.00 H new ATOM 1131 N ILE A 74 9.134 -4.080 -0.887 1.00 0.00 N ATOM 1132 CA ILE A 74 10.261 -3.298 -0.391 1.00 0.00 C ATOM 1133 C ILE A 74 11.117 -4.117 0.569 1.00 0.00 C ATOM 1134 O ILE A 74 12.338 -4.192 0.420 1.00 0.00 O ATOM 1135 CB ILE A 74 9.787 -2.019 0.324 1.00 0.00 C ATOM 1136 CG1 ILE A 74 8.659 -1.354 -0.467 1.00 0.00 C ATOM 1137 CG2 ILE A 74 10.950 -1.056 0.511 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.920 -1.293 -1.956 1.00 0.00 C ATOM 0 H ILE A 74 8.296 -4.027 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 74 10.859 -3.019 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 74 9.403 -2.291 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.732 -1.900 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.510 -0.342 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.600 -0.157 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.724 -1.533 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.360 -0.788 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.079 -0.809 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.830 -0.722 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.040 -2.304 -2.346 1.00 0.00 H new ATOM 1150 N LEU A 75 10.470 -4.731 1.553 1.00 0.00 N ATOM 1151 CA LEU A 75 11.172 -5.547 2.538 1.00 0.00 C ATOM 1152 C LEU A 75 11.572 -6.894 1.944 1.00 0.00 C ATOM 1153 O LEU A 75 12.738 -7.282 1.990 1.00 0.00 O ATOM 1154 CB LEU A 75 10.292 -5.762 3.771 1.00 0.00 C ATOM 1155 CG LEU A 75 9.991 -4.517 4.606 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.753 -4.735 5.462 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.186 -4.155 5.475 1.00 0.00 C ATOM 0 H LEU A 75 9.461 -4.680 1.690 1.00 0.00 H new ATOM 0 HA LEU A 75 12.078 -5.017 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.346 -6.195 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.775 -6.498 4.414 1.00 0.00 H new ATOM 0 HG LEU A 75 9.797 -3.686 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.554 -3.839 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.898 -4.944 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.918 -5.579 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.953 -3.267 6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.413 -4.984 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.050 -3.955 4.841 1.00 0.00 H new ATOM 1169 N GLY A 76 10.596 -7.601 1.384 1.00 0.00 N ATOM 1170 CA GLY A 76 10.866 -8.896 0.786 1.00 0.00 C ATOM 1171 C GLY A 76 12.138 -8.899 -0.039 1.00 0.00 C ATOM 1172 O GLY A 76 12.828 -9.914 -0.123 1.00 0.00 O ATOM 0 H GLY A 76 9.623 -7.300 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.945 -9.647 1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.026 -9.183 0.154 1.00 0.00 H new ATOM 1176 N ASN A 77 12.448 -7.760 -0.650 1.00 0.00 N ATOM 1177 CA ASN A 77 13.644 -7.636 -1.475 1.00 0.00 C ATOM 1178 C ASN A 77 14.895 -7.536 -0.607 1.00 0.00 C ATOM 1179 O ASN A 77 14.820 -7.616 0.618 1.00 0.00 O ATOM 1180 CB ASN A 77 13.539 -6.408 -2.382 1.00 0.00 C ATOM 1181 CG ASN A 77 12.878 -6.725 -3.709 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.065 -7.644 -3.807 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.226 -5.963 -4.740 1.00 0.00 N ATOM 0 H ASN A 77 11.888 -6.910 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 77 13.723 -8.530 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.970 -5.631 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.536 -6.007 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.815 -6.129 -5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.904 -5.212 -4.613 1.00 0.00 H new ATOM 1190 N GLU A 78 16.044 -7.359 -1.253 1.00 0.00 N ATOM 1191 CA GLU A 78 17.311 -7.248 -0.539 1.00 0.00 C ATOM 1192 C GLU A 78 17.930 -5.868 -0.743 1.00 0.00 C ATOM 1193 O GLU A 78 18.531 -5.306 0.172 1.00 0.00 O ATOM 1194 CB GLU A 78 18.284 -8.331 -1.011 1.00 0.00 C ATOM 1195 CG GLU A 78 19.411 -8.604 -0.030 1.00 0.00 C ATOM 1196 CD GLU A 78 20.160 -7.346 0.365 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.995 -6.878 -0.437 1.00 0.00 O ATOM 1198 OE2 GLU A 78 19.910 -6.830 1.474 1.00 0.00 O ATOM 0 H GLU A 78 16.123 -7.290 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 78 17.114 -7.386 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.731 -9.255 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.711 -8.032 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.003 -9.075 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.109 -9.314 -0.473 1.00 0.00 H new ATOM 1205 N GLU A 79 17.780 -5.331 -1.950 1.00 0.00 N ATOM 1206 CA GLU A 79 18.326 -4.018 -2.274 1.00 0.00 C ATOM 1207 C GLU A 79 17.479 -2.909 -1.656 1.00 0.00 C ATOM 1208 O GLU A 79 17.996 -2.021 -0.977 1.00 0.00 O ATOM 1209 CB GLU A 79 18.401 -3.833 -3.791 1.00 0.00 C ATOM 1210 CG GLU A 79 17.057 -3.961 -4.487 1.00 0.00 C ATOM 1211 CD GLU A 79 17.188 -4.405 -5.931 1.00 0.00 C ATOM 1212 OE1 GLU A 79 17.309 -3.530 -6.813 1.00 0.00 O ATOM 1213 OE2 GLU A 79 17.169 -5.629 -6.178 1.00 0.00 O ATOM 0 H GLU A 79 17.286 -5.784 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 79 19.332 -3.958 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.821 -2.851 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.087 -4.572 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.438 -4.677 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.541 -3.002 -4.451 1.00 0.00 H new ATOM 1220 N THR A 80 16.173 -2.966 -1.897 1.00 0.00 N ATOM 1221 CA THR A 80 15.254 -1.967 -1.367 1.00 0.00 C ATOM 1222 C THR A 80 15.052 -2.146 0.133 1.00 0.00 C ATOM 1223 O THR A 80 14.665 -1.211 0.835 1.00 0.00 O ATOM 1224 CB THR A 80 13.884 -2.034 -2.070 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.439 -3.393 -2.144 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.965 -1.444 -3.469 1.00 0.00 C ATOM 0 H THR A 80 15.728 -3.694 -2.456 1.00 0.00 H new ATOM 0 HA THR A 80 15.704 -0.992 -1.556 1.00 0.00 H new ATOM 0 HB THR A 80 13.171 -1.450 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.040 -3.654 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.986 -1.502 -3.946 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.277 -0.401 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.690 -2.005 -4.059 1.00 0.00 H new ATOM 1234 N LYS A 81 15.316 -3.354 0.621 1.00 0.00 N ATOM 1235 CA LYS A 81 15.166 -3.656 2.039 1.00 0.00 C ATOM 1236 C LYS A 81 16.340 -3.104 2.841 1.00 0.00 C ATOM 1237 O LYS A 81 16.169 -2.625 3.963 1.00 0.00 O ATOM 1238 CB LYS A 81 15.056 -5.168 2.250 1.00 0.00 C ATOM 1239 CG LYS A 81 14.652 -5.557 3.662 1.00 0.00 C ATOM 1240 CD LYS A 81 15.865 -5.733 4.561 1.00 0.00 C ATOM 1241 CE LYS A 81 15.472 -5.743 6.030 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.618 -5.390 6.913 1.00 0.00 N ATOM 0 H LYS A 81 15.635 -4.140 0.054 1.00 0.00 H new ATOM 0 HA LYS A 81 14.252 -3.178 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.327 -5.572 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.015 -5.630 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.998 -4.791 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.080 -6.485 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.372 -6.666 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.575 -4.926 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.657 -5.037 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.097 -6.730 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.309 -5.408 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.386 -6.078 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.960 -4.437 6.674 1.00 0.00 H new ATOM 1256 N LYS A 82 17.532 -3.172 2.259 1.00 0.00 N ATOM 1257 CA LYS A 82 18.735 -2.676 2.917 1.00 0.00 C ATOM 1258 C LYS A 82 18.763 -1.151 2.923 1.00 0.00 C ATOM 1259 O LYS A 82 19.145 -0.531 3.916 1.00 0.00 O ATOM 1260 CB LYS A 82 19.984 -3.216 2.216 1.00 0.00 C ATOM 1261 CG LYS A 82 21.268 -2.978 2.992 1.00 0.00 C ATOM 1262 CD LYS A 82 22.462 -2.833 2.064 1.00 0.00 C ATOM 1263 CE LYS A 82 22.632 -1.396 1.594 1.00 0.00 C ATOM 1264 NZ LYS A 82 24.024 -1.121 1.144 1.00 0.00 N ATOM 0 H LYS A 82 17.691 -3.566 1.332 1.00 0.00 H new ATOM 0 HA LYS A 82 18.724 -3.026 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.863 -4.286 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.070 -2.749 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.166 -2.078 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.438 -3.807 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.366 -3.158 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.335 -3.487 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.940 -1.197 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.371 -0.715 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.099 -0.132 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.683 -1.286 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.265 -1.753 0.354 1.00 0.00 H new ATOM 1278 N LYS A 83 18.354 -0.552 1.810 1.00 0.00 N ATOM 1279 CA LYS A 83 18.329 0.901 1.688 1.00 0.00 C ATOM 1280 C LYS A 83 17.242 1.503 2.572 1.00 0.00 C ATOM 1281 O LYS A 83 17.461 2.513 3.241 1.00 0.00 O ATOM 1282 CB LYS A 83 18.098 1.307 0.230 1.00 0.00 C ATOM 1283 CG LYS A 83 19.073 0.664 -0.742 1.00 0.00 C ATOM 1284 CD LYS A 83 18.455 0.494 -2.120 1.00 0.00 C ATOM 1285 CE LYS A 83 18.664 1.730 -2.980 1.00 0.00 C ATOM 1286 NZ LYS A 83 17.609 1.866 -4.022 1.00 0.00 N ATOM 0 H LYS A 83 18.035 -1.050 0.979 1.00 0.00 H new ATOM 0 HA LYS A 83 19.295 1.285 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.081 1.038 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.176 2.391 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.971 1.278 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.383 -0.308 -0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.895 -0.373 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.388 0.295 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.665 2.617 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.642 1.678 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.787 2.721 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.624 1.031 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.678 1.941 -3.565 1.00 0.00 H new ATOM 1300 N TYR A 84 16.071 0.876 2.572 1.00 0.00 N ATOM 1301 CA TYR A 84 14.949 1.350 3.373 1.00 0.00 C ATOM 1302 C TYR A 84 15.394 1.670 4.797 1.00 0.00 C ATOM 1303 O TYR A 84 15.258 2.801 5.263 1.00 0.00 O ATOM 1304 CB TYR A 84 13.834 0.304 3.398 1.00 0.00 C ATOM 1305 CG TYR A 84 12.566 0.785 4.067 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.895 1.908 3.599 1.00 0.00 C ATOM 1307 CD2 TYR A 84 12.041 0.119 5.167 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.736 2.352 4.207 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.882 0.555 5.780 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.234 1.672 5.296 1.00 0.00 C ATOM 1311 OH TYR A 84 9.081 2.111 5.905 1.00 0.00 O ATOM 0 H TYR A 84 15.874 0.037 2.026 1.00 0.00 H new ATOM 0 HA TYR A 84 14.569 2.264 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.604 0.006 2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.193 -0.585 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.286 2.443 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.547 -0.755 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.226 3.227 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.486 0.024 6.633 1.00 0.00 H new ATOM 0 HH TYR A 84 8.322 1.983 5.299 1.00 0.00 H new ATOM 1321 N ASP A 85 15.927 0.664 5.483 1.00 0.00 N ATOM 1322 CA ASP A 85 16.394 0.836 6.854 1.00 0.00 C ATOM 1323 C ASP A 85 17.149 2.153 7.009 1.00 0.00 C ATOM 1324 O ASP A 85 16.974 2.868 7.997 1.00 0.00 O ATOM 1325 CB ASP A 85 17.293 -0.332 7.259 1.00 0.00 C ATOM 1326 CG ASP A 85 17.250 -0.606 8.750 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.966 0.336 9.519 1.00 0.00 O ATOM 1328 OD2 ASP A 85 17.499 -1.763 9.147 1.00 0.00 O ATOM 0 H ASP A 85 16.046 -0.279 5.112 1.00 0.00 H new ATOM 0 HA ASP A 85 15.523 0.858 7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.986 -1.228 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.319 -0.117 6.962 1.00 0.00 H new ATOM 1333 N LEU A 86 17.989 2.467 6.029 1.00 0.00 N ATOM 1334 CA LEU A 86 18.772 3.697 6.057 1.00 0.00 C ATOM 1335 C LEU A 86 17.880 4.915 5.835 1.00 0.00 C ATOM 1336 O LEU A 86 18.023 5.932 6.513 1.00 0.00 O ATOM 1337 CB LEU A 86 19.867 3.652 4.991 1.00 0.00 C ATOM 1338 CG LEU A 86 20.876 2.510 5.113 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.520 2.219 3.766 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.937 2.844 6.152 1.00 0.00 C ATOM 0 H LEU A 86 18.145 1.887 5.205 1.00 0.00 H new ATOM 0 HA LEU A 86 19.234 3.782 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.391 3.587 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.412 4.596 5.018 1.00 0.00 H new ATOM 0 HG LEU A 86 20.345 1.616 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.235 1.403 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.750 1.935 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.037 3.110 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.647 2.020 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.464 3.751 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.462 3.001 7.120 1.00 0.00 H new ATOM 1352 N GLN A 87 16.960 4.802 4.883 1.00 0.00 N ATOM 1353 CA GLN A 87 16.044 5.894 4.573 1.00 0.00 C ATOM 1354 C GLN A 87 15.274 6.328 5.816 1.00 0.00 C ATOM 1355 O GLN A 87 15.091 7.520 6.060 1.00 0.00 O ATOM 1356 CB GLN A 87 15.068 5.473 3.474 1.00 0.00 C ATOM 1357 CG GLN A 87 15.648 5.574 2.073 1.00 0.00 C ATOM 1358 CD GLN A 87 15.561 6.977 1.505 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.199 7.903 2.006 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.768 7.142 0.452 1.00 0.00 N ATOM 0 H GLN A 87 16.829 3.966 4.313 1.00 0.00 H new ATOM 0 HA GLN A 87 16.634 6.740 4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.752 4.445 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.175 6.096 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.691 5.258 2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.118 4.886 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.257 6.347 0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.670 8.064 0.027 1.00 0.00 H new ATOM 1369 N ARG A 88 14.824 5.351 6.597 1.00 0.00 N ATOM 1370 CA ARG A 88 14.072 5.632 7.814 1.00 0.00 C ATOM 1371 C ARG A 88 14.989 6.171 8.908 1.00 0.00 C ATOM 1372 O ARG A 88 14.545 6.454 10.021 1.00 0.00 O ATOM 1373 CB ARG A 88 13.363 4.368 8.304 1.00 0.00 C ATOM 1374 CG ARG A 88 14.316 3.270 8.749 1.00 0.00 C ATOM 1375 CD ARG A 88 13.603 2.220 9.586 1.00 0.00 C ATOM 1376 NE ARG A 88 13.568 2.579 11.001 1.00 0.00 N ATOM 1377 CZ ARG A 88 14.643 2.592 11.783 1.00 0.00 C ATOM 1378 NH1 ARG A 88 15.830 2.268 11.289 1.00 0.00 N ATOM 1379 NH2 ARG A 88 14.531 2.930 13.061 1.00 0.00 N ATOM 0 H ARG A 88 14.967 4.359 6.409 1.00 0.00 H new ATOM 0 HA ARG A 88 13.326 6.392 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.708 4.628 9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.728 3.985 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.763 2.798 7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.131 3.706 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.584 2.094 9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.105 1.260 9.468 1.00 0.00 H new ATOM 0 HE ARG A 88 12.670 2.834 11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.920 2.008 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.653 2.279 11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.619 3.180 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.356 2.940 13.660 1.00 0.00 H new