USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 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 49 GLN : amide:sc= 0.516 K(o=0.26,f=-0.47) USER MOD Set 1.2: A 61 CYS SG : rot 150:sc= -0.254 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 GLN : amide:sc= -2.25! C(o=-2.3!,f=-2.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 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=-0.018) USER MOD Single : A 30 MET CE :methyl -166:sc= -1.68 (180deg=-2.86) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 0.558 (180deg=-0.0566) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.085 USER MOD Single : A 38 GLN : amide:sc=-0.00225 X(o=-0.0023,f=-0.17) 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= -2.82! C(o=-2.8!,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.213 USER MOD Single : A 57 THR OG1 : rot -150:sc= -0.651 USER MOD Single : A 58 MET CE :methyl -149:sc= -0.0633 (180deg=-1.42) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.265 K(o=-0.27,f=-1) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0156 (180deg=-0.171) USER MOD Single : A 70 GLN : amide:sc= -6.09! C(o=-6.1!,f=-16!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.108 K(o=0.11,f=-3.7!) USER MOD Single : A 80 THR OG1 : rot 91:sc= -0.0143 USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= 0.00885 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -137:sc= -2.76! (180deg=-3.07) USER MOD Single : A 84 TYR OH : rot 27:sc= 0.386 USER MOD Single : A 87 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 5.468 5.625 3.365 1.00 0.00 N ATOM 200 CA LYS A 16 4.643 4.537 3.877 1.00 0.00 C ATOM 201 C LYS A 16 5.440 3.649 4.827 1.00 0.00 C ATOM 202 O LYS A 16 6.614 3.365 4.587 1.00 0.00 O ATOM 203 CB LYS A 16 4.093 3.700 2.720 1.00 0.00 C ATOM 204 CG LYS A 16 2.758 3.043 3.025 1.00 0.00 C ATOM 205 CD LYS A 16 2.023 2.656 1.753 1.00 0.00 C ATOM 206 CE LYS A 16 0.520 2.584 1.978 1.00 0.00 C ATOM 207 NZ LYS A 16 -0.123 3.922 1.861 1.00 0.00 N ATOM 0 HA LYS A 16 3.811 4.974 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.983 4.337 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.818 2.928 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.920 2.156 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.141 3.725 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.240 3.383 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.386 1.690 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.076 1.903 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.320 2.170 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.147 3.830 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.282 4.565 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.046 4.306 0.909 1.00 0.00 H new ATOM 221 N ASP A 17 4.796 3.214 5.903 1.00 0.00 N ATOM 222 CA ASP A 17 5.444 2.356 6.888 1.00 0.00 C ATOM 223 C ASP A 17 5.157 0.885 6.601 1.00 0.00 C ATOM 224 O ASP A 17 4.093 0.372 6.948 1.00 0.00 O ATOM 225 CB ASP A 17 4.973 2.715 8.298 1.00 0.00 C ATOM 226 CG ASP A 17 5.146 4.189 8.609 1.00 0.00 C ATOM 227 OD1 ASP A 17 5.959 4.847 7.927 1.00 0.00 O ATOM 228 OD2 ASP A 17 4.469 4.684 9.534 1.00 0.00 O ATOM 0 H ASP A 17 3.825 3.441 6.116 1.00 0.00 H new ATOM 0 HA ASP A 17 6.520 2.517 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.923 2.445 8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.531 2.125 9.025 1.00 0.00 H new ATOM 233 N TRP A 18 6.111 0.215 5.965 1.00 0.00 N ATOM 234 CA TRP A 18 5.959 -1.197 5.631 1.00 0.00 C ATOM 235 C TRP A 18 6.045 -2.065 6.881 1.00 0.00 C ATOM 236 O TRP A 18 5.361 -3.083 6.990 1.00 0.00 O ATOM 237 CB TRP A 18 7.030 -1.621 4.625 1.00 0.00 C ATOM 238 CG TRP A 18 7.110 -0.724 3.427 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.195 -0.004 3.013 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.062 -0.448 2.492 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.884 0.701 1.876 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.582 0.446 1.535 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.736 -0.871 2.367 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.821 0.923 0.471 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.982 -0.396 1.311 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.526 0.492 0.374 1.00 0.00 C ATOM 0 H TRP A 18 6.997 0.626 5.670 1.00 0.00 H new ATOM 0 HA TRP A 18 4.975 -1.336 5.184 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.000 -1.637 5.123 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.825 -2.639 4.294 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.155 0.009 3.507 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.520 1.315 1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.308 -1.557 3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.238 1.609 -0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.955 -0.715 1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.911 0.843 -0.441 1.00 0.00 H new ATOM 257 N TYR A 19 6.889 -1.657 7.822 1.00 0.00 N ATOM 258 CA TYR A 19 7.066 -2.399 9.065 1.00 0.00 C ATOM 259 C TYR A 19 5.778 -2.406 9.883 1.00 0.00 C ATOM 260 O TYR A 19 5.639 -3.173 10.836 1.00 0.00 O ATOM 261 CB TYR A 19 8.203 -1.793 9.888 1.00 0.00 C ATOM 262 CG TYR A 19 9.579 -2.121 9.354 1.00 0.00 C ATOM 263 CD1 TYR A 19 9.986 -3.440 9.188 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.472 -1.113 9.014 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.242 -3.744 8.701 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.730 -1.408 8.524 1.00 0.00 C ATOM 267 CZ TYR A 19 12.110 -2.724 8.370 1.00 0.00 C ATOM 268 OH TYR A 19 13.362 -3.023 7.883 1.00 0.00 O ATOM 0 H TYR A 19 7.462 -0.816 7.748 1.00 0.00 H new ATOM 0 HA TYR A 19 7.319 -3.428 8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.082 -0.710 9.917 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.127 -2.150 10.915 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.308 -4.241 9.444 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.178 -0.081 9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.543 -4.774 8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.412 -0.612 8.263 1.00 0.00 H new ATOM 0 HH TYR A 19 13.848 -2.192 7.698 1.00 0.00 H new ATOM 278 N SER A 20 4.838 -1.547 9.502 1.00 0.00 N ATOM 279 CA SER A 20 3.562 -1.451 10.202 1.00 0.00 C ATOM 280 C SER A 20 2.481 -2.240 9.470 1.00 0.00 C ATOM 281 O SER A 20 1.654 -2.906 10.094 1.00 0.00 O ATOM 282 CB SER A 20 3.139 0.013 10.335 1.00 0.00 C ATOM 283 OG SER A 20 2.318 0.205 11.474 1.00 0.00 O ATOM 0 H SER A 20 4.936 -0.908 8.713 1.00 0.00 H new ATOM 0 HA SER A 20 3.688 -1.877 11.197 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.024 0.645 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.601 0.322 9.439 1.00 0.00 H new ATOM 0 HG SER A 20 2.062 1.149 11.538 1.00 0.00 H new ATOM 289 N ILE A 21 2.494 -2.160 8.144 1.00 0.00 N ATOM 290 CA ILE A 21 1.516 -2.868 7.327 1.00 0.00 C ATOM 291 C ILE A 21 1.610 -4.375 7.539 1.00 0.00 C ATOM 292 O ILE A 21 0.598 -5.078 7.533 1.00 0.00 O ATOM 293 CB ILE A 21 1.703 -2.558 5.830 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.593 -1.053 5.581 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.677 -3.315 5.000 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.192 -0.613 4.263 1.00 0.00 C ATOM 0 H ILE A 21 3.171 -1.612 7.612 1.00 0.00 H new ATOM 0 HA ILE A 21 0.532 -2.521 7.641 1.00 0.00 H new ATOM 0 HB ILE A 21 2.698 -2.885 5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.542 -0.764 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.090 -0.521 6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.822 -3.085 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.800 -4.386 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.327 -3.016 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.078 0.466 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.251 -0.870 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.679 -1.117 3.444 1.00 0.00 H new ATOM 308 N LEU A 22 2.830 -4.865 7.727 1.00 0.00 N ATOM 309 CA LEU A 22 3.057 -6.290 7.943 1.00 0.00 C ATOM 310 C LEU A 22 3.218 -6.597 9.428 1.00 0.00 C ATOM 311 O LEU A 22 3.701 -7.664 9.803 1.00 0.00 O ATOM 312 CB LEU A 22 4.299 -6.750 7.178 1.00 0.00 C ATOM 313 CG LEU A 22 4.363 -6.355 5.702 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.779 -6.507 5.169 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.391 -7.192 4.883 1.00 0.00 C ATOM 0 H LEU A 22 3.677 -4.297 7.734 1.00 0.00 H new ATOM 0 HA LEU A 22 2.187 -6.832 7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.179 -6.348 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.361 -7.836 7.246 1.00 0.00 H new ATOM 0 HG LEU A 22 4.074 -5.308 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.805 -6.221 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.452 -5.864 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.097 -7.545 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.450 -6.897 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.649 -8.247 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.376 -7.032 5.248 1.00 0.00 H new ATOM 327 N GLY A 23 2.808 -5.653 10.270 1.00 0.00 N ATOM 328 CA GLY A 23 2.914 -5.842 11.705 1.00 0.00 C ATOM 329 C GLY A 23 4.241 -6.449 12.114 1.00 0.00 C ATOM 330 O GLY A 23 4.290 -7.337 12.964 1.00 0.00 O ATOM 0 H GLY A 23 2.404 -4.761 9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.788 -4.882 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.103 -6.487 12.044 1.00 0.00 H new ATOM 334 N ALA A 24 5.321 -5.969 11.506 1.00 0.00 N ATOM 335 CA ALA A 24 6.656 -6.469 11.812 1.00 0.00 C ATOM 336 C ALA A 24 7.527 -5.375 12.419 1.00 0.00 C ATOM 337 O ALA A 24 7.149 -4.203 12.433 1.00 0.00 O ATOM 338 CB ALA A 24 7.309 -7.032 10.558 1.00 0.00 C ATOM 0 H ALA A 24 5.298 -5.234 10.799 1.00 0.00 H new ATOM 0 HA ALA A 24 6.558 -7.268 12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.305 -7.402 10.801 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.703 -7.850 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.387 -6.248 9.805 1.00 0.00 H new ATOM 344 N ASP A 25 8.694 -5.764 12.920 1.00 0.00 N ATOM 345 CA ASP A 25 9.619 -4.816 13.529 1.00 0.00 C ATOM 346 C ASP A 25 10.710 -4.411 12.542 1.00 0.00 C ATOM 347 O ASP A 25 11.109 -5.183 11.669 1.00 0.00 O ATOM 348 CB ASP A 25 10.249 -5.419 14.785 1.00 0.00 C ATOM 349 CG ASP A 25 9.304 -5.403 15.971 1.00 0.00 C ATOM 350 OD1 ASP A 25 8.449 -4.496 16.037 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.420 -6.300 16.832 1.00 0.00 O ATOM 0 H ASP A 25 9.022 -6.730 12.916 1.00 0.00 H new ATOM 0 HA ASP A 25 9.056 -3.925 13.807 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.552 -6.446 14.579 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.153 -4.864 15.037 1.00 0.00 H new ATOM 356 N PRO A 26 11.205 -3.173 12.681 1.00 0.00 N ATOM 357 CA PRO A 26 12.256 -2.638 11.810 1.00 0.00 C ATOM 358 C PRO A 26 13.604 -3.309 12.049 1.00 0.00 C ATOM 359 O PRO A 26 14.587 -3.006 11.373 1.00 0.00 O ATOM 360 CB PRO A 26 12.319 -1.158 12.198 1.00 0.00 C ATOM 361 CG PRO A 26 11.810 -1.111 13.597 1.00 0.00 C ATOM 362 CD PRO A 26 10.777 -2.199 13.699 1.00 0.00 C ATOM 0 HA PRO A 26 12.037 -2.808 10.756 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.338 -0.775 12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.707 -0.548 11.533 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.617 -1.271 14.312 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.375 -0.137 13.821 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.757 -2.642 14.695 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.775 -1.821 13.497 1.00 0.00 H new ATOM 370 N SER A 27 13.643 -4.221 13.015 1.00 0.00 N ATOM 371 CA SER A 27 14.872 -4.933 13.345 1.00 0.00 C ATOM 372 C SER A 27 14.692 -6.438 13.170 1.00 0.00 C ATOM 373 O SER A 27 15.539 -7.228 13.586 1.00 0.00 O ATOM 374 CB SER A 27 15.296 -4.622 14.782 1.00 0.00 C ATOM 375 OG SER A 27 16.146 -3.489 14.829 1.00 0.00 O ATOM 0 H SER A 27 12.838 -4.484 13.583 1.00 0.00 H new ATOM 0 HA SER A 27 15.652 -4.596 12.662 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.412 -4.443 15.395 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.810 -5.484 15.208 1.00 0.00 H new ATOM 0 HG SER A 27 16.401 -3.310 15.758 1.00 0.00 H new ATOM 381 N ALA A 28 13.581 -6.827 12.553 1.00 0.00 N ATOM 382 CA ALA A 28 13.290 -8.236 12.321 1.00 0.00 C ATOM 383 C ALA A 28 14.227 -8.825 11.272 1.00 0.00 C ATOM 384 O ALA A 28 15.145 -8.156 10.800 1.00 0.00 O ATOM 385 CB ALA A 28 11.840 -8.412 11.894 1.00 0.00 C ATOM 0 H ALA A 28 12.868 -6.186 12.205 1.00 0.00 H new ATOM 0 HA ALA A 28 13.450 -8.773 13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.637 -9.469 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.182 -8.037 12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.662 -7.856 10.974 1.00 0.00 H new ATOM 391 N ASN A 29 13.990 -10.082 10.912 1.00 0.00 N ATOM 392 CA ASN A 29 14.814 -10.762 9.919 1.00 0.00 C ATOM 393 C ASN A 29 13.971 -11.220 8.733 1.00 0.00 C ATOM 394 O ASN A 29 12.766 -11.435 8.862 1.00 0.00 O ATOM 395 CB ASN A 29 15.522 -11.963 10.550 1.00 0.00 C ATOM 396 CG ASN A 29 16.866 -11.592 11.149 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.784 -11.185 10.437 1.00 0.00 O ATOM 398 ND2 ASN A 29 16.986 -11.733 12.464 1.00 0.00 N ATOM 0 H ASN A 29 13.234 -10.651 11.293 1.00 0.00 H new ATOM 0 HA ASN A 29 15.562 -10.055 9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.887 -12.390 11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.665 -12.736 9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.866 -11.500 12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.198 -12.074 13.014 1.00 0.00 H new ATOM 405 N MET A 30 14.613 -11.369 7.580 1.00 0.00 N ATOM 406 CA MET A 30 13.922 -11.804 6.371 1.00 0.00 C ATOM 407 C MET A 30 12.827 -12.812 6.704 1.00 0.00 C ATOM 408 O MET A 30 11.677 -12.651 6.295 1.00 0.00 O ATOM 409 CB MET A 30 14.916 -12.419 5.384 1.00 0.00 C ATOM 410 CG MET A 30 14.514 -12.243 3.928 1.00 0.00 C ATOM 411 SD MET A 30 15.166 -10.724 3.207 1.00 0.00 S ATOM 412 CE MET A 30 13.689 -9.711 3.161 1.00 0.00 C ATOM 0 H MET A 30 15.610 -11.195 7.456 1.00 0.00 H new ATOM 0 HA MET A 30 13.459 -10.931 5.912 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.896 -11.968 5.539 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.018 -13.483 5.598 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.870 -13.097 3.351 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.427 -12.239 3.853 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.862 -8.844 2.523 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.859 -10.295 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.446 -9.377 4.169 1.00 0.00 H new ATOM 422 N SER A 31 13.192 -13.852 7.447 1.00 0.00 N ATOM 423 CA SER A 31 12.241 -14.889 7.831 1.00 0.00 C ATOM 424 C SER A 31 10.972 -14.273 8.413 1.00 0.00 C ATOM 425 O SER A 31 9.911 -14.305 7.789 1.00 0.00 O ATOM 426 CB SER A 31 12.874 -15.839 8.849 1.00 0.00 C ATOM 427 OG SER A 31 11.896 -16.673 9.446 1.00 0.00 O ATOM 0 H SER A 31 14.139 -13.999 7.795 1.00 0.00 H new ATOM 0 HA SER A 31 11.974 -15.452 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.629 -16.453 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.385 -15.263 9.620 1.00 0.00 H new ATOM 0 HG SER A 31 12.327 -17.272 10.091 1.00 0.00 H new ATOM 433 N ASP A 32 11.090 -13.713 9.612 1.00 0.00 N ATOM 434 CA ASP A 32 9.953 -13.089 10.279 1.00 0.00 C ATOM 435 C ASP A 32 9.101 -12.308 9.284 1.00 0.00 C ATOM 436 O ASP A 32 7.930 -12.626 9.069 1.00 0.00 O ATOM 437 CB ASP A 32 10.437 -12.160 11.394 1.00 0.00 C ATOM 438 CG ASP A 32 10.574 -12.875 12.724 1.00 0.00 C ATOM 439 OD1 ASP A 32 9.647 -13.626 13.092 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.609 -12.683 13.397 1.00 0.00 O ATOM 0 H ASP A 32 11.961 -13.678 10.142 1.00 0.00 H new ATOM 0 HA ASP A 32 9.340 -13.878 10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.399 -11.732 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.738 -11.330 11.501 1.00 0.00 H new ATOM 445 N LEU A 33 9.694 -11.285 8.679 1.00 0.00 N ATOM 446 CA LEU A 33 8.989 -10.457 7.707 1.00 0.00 C ATOM 447 C LEU A 33 8.205 -11.321 6.723 1.00 0.00 C ATOM 448 O LEU A 33 7.081 -10.988 6.348 1.00 0.00 O ATOM 449 CB LEU A 33 9.979 -9.571 6.948 1.00 0.00 C ATOM 450 CG LEU A 33 10.672 -8.484 7.770 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.864 -7.921 7.012 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.691 -7.376 8.124 1.00 0.00 C ATOM 0 H LEU A 33 10.662 -11.009 8.844 1.00 0.00 H new ATOM 0 HA LEU A 33 8.286 -9.824 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.745 -10.210 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.450 -9.093 6.123 1.00 0.00 H new ATOM 0 HG LEU A 33 11.034 -8.931 8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.345 -7.149 7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.577 -8.720 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.525 -7.490 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.202 -6.611 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.299 -6.932 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.869 -7.791 8.708 1.00 0.00 H new ATOM 464 N LYS A 34 8.805 -12.432 6.311 1.00 0.00 N ATOM 465 CA LYS A 34 8.163 -13.347 5.375 1.00 0.00 C ATOM 466 C LYS A 34 6.939 -14.002 6.006 1.00 0.00 C ATOM 467 O LYS A 34 5.818 -13.831 5.530 1.00 0.00 O ATOM 468 CB LYS A 34 9.153 -14.421 4.919 1.00 0.00 C ATOM 469 CG LYS A 34 8.656 -15.248 3.746 1.00 0.00 C ATOM 470 CD LYS A 34 9.606 -16.390 3.427 1.00 0.00 C ATOM 471 CE LYS A 34 9.226 -17.085 2.128 1.00 0.00 C ATOM 472 NZ LYS A 34 9.873 -16.446 0.948 1.00 0.00 N ATOM 0 H LYS A 34 9.736 -12.721 6.611 1.00 0.00 H new ATOM 0 HA LYS A 34 7.838 -12.771 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.093 -13.943 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.367 -15.085 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.668 -15.648 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.546 -14.609 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.624 -16.008 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.596 -17.112 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.518 -18.134 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.143 -17.061 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.589 -16.948 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.575 -15.452 0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.907 -16.492 1.052 1.00 0.00 H new ATOM 486 N GLN A 35 7.164 -14.752 7.081 1.00 0.00 N ATOM 487 CA GLN A 35 6.079 -15.432 7.777 1.00 0.00 C ATOM 488 C GLN A 35 4.923 -14.475 8.051 1.00 0.00 C ATOM 489 O GLN A 35 3.766 -14.785 7.767 1.00 0.00 O ATOM 490 CB GLN A 35 6.583 -16.030 9.092 1.00 0.00 C ATOM 491 CG GLN A 35 7.460 -15.081 9.894 1.00 0.00 C ATOM 492 CD GLN A 35 7.998 -15.716 11.162 1.00 0.00 C ATOM 493 OE1 GLN A 35 9.152 -16.143 11.214 1.00 0.00 O ATOM 494 NE2 GLN A 35 7.163 -15.780 12.192 1.00 0.00 N ATOM 0 H GLN A 35 8.087 -14.903 7.488 1.00 0.00 H new ATOM 0 HA GLN A 35 5.718 -16.236 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.727 -16.323 9.700 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.146 -16.938 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.294 -14.752 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.885 -14.192 10.153 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.215 -15.413 12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.469 -16.196 13.072 1.00 0.00 H new ATOM 503 N LYS A 36 5.244 -13.311 8.604 1.00 0.00 N ATOM 504 CA LYS A 36 4.233 -12.307 8.915 1.00 0.00 C ATOM 505 C LYS A 36 3.447 -11.921 7.666 1.00 0.00 C ATOM 506 O LYS A 36 2.223 -11.789 7.708 1.00 0.00 O ATOM 507 CB LYS A 36 4.889 -11.064 9.522 1.00 0.00 C ATOM 508 CG LYS A 36 5.004 -11.115 11.035 1.00 0.00 C ATOM 509 CD LYS A 36 6.302 -11.770 11.475 1.00 0.00 C ATOM 510 CE LYS A 36 6.681 -11.362 12.890 1.00 0.00 C ATOM 511 NZ LYS A 36 7.462 -12.424 13.584 1.00 0.00 N ATOM 0 H LYS A 36 6.197 -13.039 8.846 1.00 0.00 H new ATOM 0 HA LYS A 36 3.541 -12.736 9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.884 -10.943 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.311 -10.184 9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.951 -10.104 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.159 -11.667 11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.200 -12.854 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.102 -11.492 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.266 -10.443 12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.777 -11.145 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.022 -11.999 14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.810 -13.130 13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.100 -12.886 12.905 1.00 0.00 H new ATOM 525 N TYR A 37 4.156 -11.742 6.558 1.00 0.00 N ATOM 526 CA TYR A 37 3.524 -11.371 5.297 1.00 0.00 C ATOM 527 C TYR A 37 2.535 -12.442 4.847 1.00 0.00 C ATOM 528 O TYR A 37 1.343 -12.176 4.696 1.00 0.00 O ATOM 529 CB TYR A 37 4.584 -11.153 4.216 1.00 0.00 C ATOM 530 CG TYR A 37 4.026 -11.160 2.811 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.581 -9.987 2.213 1.00 0.00 C ATOM 532 CD2 TYR A 37 3.941 -12.340 2.082 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.070 -9.989 0.930 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.433 -12.351 0.797 1.00 0.00 C ATOM 535 CZ TYR A 37 2.998 -11.173 0.226 1.00 0.00 C ATOM 536 OH TYR A 37 2.489 -11.180 -1.053 1.00 0.00 O ATOM 0 H TYR A 37 5.169 -11.848 6.507 1.00 0.00 H new ATOM 0 HA TYR A 37 2.978 -10.441 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.083 -10.201 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.343 -11.931 4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.636 -9.058 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.278 -13.264 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.729 -9.068 0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.377 -13.276 0.243 1.00 0.00 H new ATOM 0 HH TYR A 37 2.509 -12.093 -1.408 1.00 0.00 H new ATOM 546 N GLN A 38 3.040 -13.653 4.636 1.00 0.00 N ATOM 547 CA GLN A 38 2.202 -14.765 4.203 1.00 0.00 C ATOM 548 C GLN A 38 0.924 -14.838 5.033 1.00 0.00 C ATOM 549 O GLN A 38 -0.182 -14.754 4.498 1.00 0.00 O ATOM 550 CB GLN A 38 2.970 -16.083 4.312 1.00 0.00 C ATOM 551 CG GLN A 38 4.069 -16.234 3.272 1.00 0.00 C ATOM 552 CD GLN A 38 3.601 -16.969 2.032 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.039 -18.061 2.118 1.00 0.00 O ATOM 554 NE2 GLN A 38 3.832 -16.374 0.867 1.00 0.00 N ATOM 0 H GLN A 38 4.025 -13.889 4.758 1.00 0.00 H new ATOM 0 HA GLN A 38 1.929 -14.597 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.410 -16.157 5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.269 -16.912 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.434 -15.247 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.910 -16.770 3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.301 -15.469 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.540 -16.823 -0.001 1.00 0.00 H new ATOM 563 N LYS A 39 1.083 -14.995 6.343 1.00 0.00 N ATOM 564 CA LYS A 39 -0.057 -15.078 7.247 1.00 0.00 C ATOM 565 C LYS A 39 -0.967 -13.864 7.090 1.00 0.00 C ATOM 566 O LYS A 39 -2.151 -13.915 7.427 1.00 0.00 O ATOM 567 CB LYS A 39 0.422 -15.185 8.697 1.00 0.00 C ATOM 568 CG LYS A 39 1.047 -13.906 9.226 1.00 0.00 C ATOM 569 CD LYS A 39 0.893 -13.793 10.734 1.00 0.00 C ATOM 570 CE LYS A 39 -0.532 -13.432 11.123 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.668 -13.211 12.589 1.00 0.00 N ATOM 0 H LYS A 39 1.991 -15.067 6.802 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.626 -15.972 6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.422 -15.456 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.149 -15.993 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.105 -13.882 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.580 -13.046 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.170 -14.738 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.578 -13.036 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.837 -12.531 10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.206 -14.230 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.654 -12.967 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.402 -14.079 13.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.044 -12.433 12.882 1.00 0.00 H new ATOM 585 N LEU A 40 -0.408 -12.774 6.576 1.00 0.00 N ATOM 586 CA LEU A 40 -1.170 -11.547 6.372 1.00 0.00 C ATOM 587 C LEU A 40 -1.587 -11.401 4.912 1.00 0.00 C ATOM 588 O LEU A 40 -1.845 -10.294 4.438 1.00 0.00 O ATOM 589 CB LEU A 40 -0.344 -10.333 6.802 1.00 0.00 C ATOM 590 CG LEU A 40 -0.098 -10.186 8.304 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.793 -8.986 8.584 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.418 -10.058 9.050 1.00 0.00 C ATOM 0 H LEU A 40 0.570 -12.715 6.293 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.070 -11.602 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.622 -10.379 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.846 -9.433 6.447 1.00 0.00 H new ATOM 0 HG LEU A 40 0.412 -11.082 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.957 -8.897 9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.751 -9.118 8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.311 -8.081 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.224 -9.954 10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.955 -9.180 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.022 -10.948 8.876 1.00 0.00 H new ATOM 604 N ILE A 41 -1.654 -12.525 4.206 1.00 0.00 N ATOM 605 CA ILE A 41 -2.043 -12.522 2.802 1.00 0.00 C ATOM 606 C ILE A 41 -3.378 -13.231 2.600 1.00 0.00 C ATOM 607 O ILE A 41 -4.203 -12.808 1.789 1.00 0.00 O ATOM 608 CB ILE A 41 -0.977 -13.199 1.920 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.231 -12.277 1.745 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.566 -13.571 0.568 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.041 -11.230 0.670 1.00 0.00 C ATOM 0 H ILE A 41 -1.444 -13.449 4.584 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.139 -11.478 2.504 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.645 -14.113 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.439 -11.780 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.106 -12.880 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.800 -14.048 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.398 -14.260 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.922 -12.671 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.937 -10.612 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.136 -11.720 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.814 -10.602 0.921 1.00 0.00 H new ATOM 623 N LEU A 42 -3.585 -14.313 3.344 1.00 0.00 N ATOM 624 CA LEU A 42 -4.822 -15.081 3.249 1.00 0.00 C ATOM 625 C LEU A 42 -5.974 -14.345 3.925 1.00 0.00 C ATOM 626 O LEU A 42 -7.119 -14.417 3.478 1.00 0.00 O ATOM 627 CB LEU A 42 -4.639 -16.460 3.886 1.00 0.00 C ATOM 628 CG LEU A 42 -3.204 -16.985 3.948 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.187 -18.439 4.395 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.522 -16.834 2.596 1.00 0.00 C ATOM 0 H LEU A 42 -2.913 -14.678 4.019 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.064 -15.204 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.036 -16.425 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.244 -17.178 3.331 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.652 -16.394 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.158 -18.796 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.637 -18.521 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.755 -19.044 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.502 -17.213 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.073 -17.400 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.502 -15.781 2.314 1.00 0.00 H new ATOM 642 N LEU A 43 -5.663 -13.634 5.004 1.00 0.00 N ATOM 643 CA LEU A 43 -6.672 -12.882 5.741 1.00 0.00 C ATOM 644 C LEU A 43 -7.335 -11.839 4.847 1.00 0.00 C ATOM 645 O LEU A 43 -8.555 -11.675 4.867 1.00 0.00 O ATOM 646 CB LEU A 43 -6.041 -12.201 6.957 1.00 0.00 C ATOM 647 CG LEU A 43 -5.839 -13.083 8.190 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.833 -12.451 9.140 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.165 -13.323 8.897 1.00 0.00 C ATOM 0 H LEU A 43 -4.720 -13.563 5.387 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.436 -13.582 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.073 -11.798 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.666 -11.354 7.239 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.444 -14.045 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.702 -13.093 10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.877 -12.332 8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.198 -11.475 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.002 -13.952 9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.588 -12.369 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.856 -13.820 8.216 1.00 0.00 H new ATOM 661 N TYR A 44 -6.523 -11.138 4.064 1.00 0.00 N ATOM 662 CA TYR A 44 -7.031 -10.110 3.162 1.00 0.00 C ATOM 663 C TYR A 44 -7.021 -10.600 1.717 1.00 0.00 C ATOM 664 O TYR A 44 -6.777 -9.828 0.789 1.00 0.00 O ATOM 665 CB TYR A 44 -6.195 -8.835 3.286 1.00 0.00 C ATOM 666 CG TYR A 44 -5.929 -8.422 4.716 1.00 0.00 C ATOM 667 CD1 TYR A 44 -6.859 -7.675 5.428 1.00 0.00 C ATOM 668 CD2 TYR A 44 -4.748 -8.778 5.355 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.620 -7.294 6.734 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.501 -8.403 6.661 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.440 -7.661 7.347 1.00 0.00 C ATOM 672 OH TYR A 44 -5.198 -7.285 8.648 1.00 0.00 O ATOM 0 H TYR A 44 -5.511 -11.262 4.035 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.060 -9.890 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.243 -8.984 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.708 -8.023 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.785 -7.387 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.010 -9.358 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.353 -6.712 7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.578 -8.689 7.143 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.323 -7.625 8.929 1.00 0.00 H new ATOM 682 N HIS A 45 -7.288 -11.889 1.534 1.00 0.00 N ATOM 683 CA HIS A 45 -7.312 -12.483 0.203 1.00 0.00 C ATOM 684 C HIS A 45 -8.734 -12.528 -0.347 1.00 0.00 C ATOM 685 O HIS A 45 -9.693 -12.820 0.367 1.00 0.00 O ATOM 686 CB HIS A 45 -6.723 -13.894 0.240 1.00 0.00 C ATOM 687 CG HIS A 45 -6.207 -14.363 -1.086 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.964 -15.103 -1.969 1.00 0.00 N ATOM 689 CD2 HIS A 45 -5.001 -14.192 -1.677 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.246 -15.368 -3.046 1.00 0.00 C ATOM 691 NE2 HIS A 45 -5.052 -14.826 -2.894 1.00 0.00 N ATOM 0 H HIS A 45 -7.491 -12.542 2.291 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.706 -11.861 -0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.911 -13.921 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.487 -14.589 0.590 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.157 -13.657 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.579 -15.932 -3.905 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.290 -14.871 -3.571 1.00 0.00 H new ATOM 700 N PRO A 46 -8.876 -12.231 -1.648 1.00 0.00 N ATOM 701 CA PRO A 46 -10.178 -12.231 -2.322 1.00 0.00 C ATOM 702 C PRO A 46 -10.750 -13.635 -2.479 1.00 0.00 C ATOM 703 O PRO A 46 -11.955 -13.844 -2.339 1.00 0.00 O ATOM 704 CB PRO A 46 -9.867 -11.623 -3.692 1.00 0.00 C ATOM 705 CG PRO A 46 -8.424 -11.914 -3.917 1.00 0.00 C ATOM 706 CD PRO A 46 -7.777 -11.874 -2.560 1.00 0.00 C ATOM 0 HA PRO A 46 -10.930 -11.681 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.486 -12.066 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.061 -10.550 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.291 -12.890 -4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.977 -11.177 -4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.950 -12.580 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.374 -10.886 -2.336 1.00 0.00 H new ATOM 714 N ASP A 47 -9.879 -14.594 -2.772 1.00 0.00 N ATOM 715 CA ASP A 47 -10.297 -15.980 -2.947 1.00 0.00 C ATOM 716 C ASP A 47 -10.593 -16.633 -1.600 1.00 0.00 C ATOM 717 O ASP A 47 -11.409 -17.550 -1.508 1.00 0.00 O ATOM 718 CB ASP A 47 -9.217 -16.772 -3.685 1.00 0.00 C ATOM 719 CG ASP A 47 -9.747 -18.065 -4.273 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.547 -18.742 -3.593 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.363 -18.400 -5.413 1.00 0.00 O ATOM 0 H ASP A 47 -8.878 -14.437 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.210 -15.985 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.801 -16.157 -4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.401 -16.996 -2.998 1.00 0.00 H new ATOM 726 N LYS A 48 -9.923 -16.155 -0.557 1.00 0.00 N ATOM 727 CA LYS A 48 -10.113 -16.690 0.786 1.00 0.00 C ATOM 728 C LYS A 48 -11.254 -15.974 1.501 1.00 0.00 C ATOM 729 O LYS A 48 -11.186 -15.729 2.705 1.00 0.00 O ATOM 730 CB LYS A 48 -8.823 -16.555 1.598 1.00 0.00 C ATOM 731 CG LYS A 48 -7.577 -16.968 0.834 1.00 0.00 C ATOM 732 CD LYS A 48 -7.268 -18.443 1.025 1.00 0.00 C ATOM 733 CE LYS A 48 -6.182 -18.913 0.069 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.205 -20.391 -0.113 1.00 0.00 N ATOM 0 H LYS A 48 -9.243 -15.397 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.370 -17.745 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.714 -15.520 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.905 -17.164 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.714 -16.759 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.729 -16.371 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.951 -18.619 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.173 -19.029 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.313 -18.426 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.207 -18.609 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.450 -20.672 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.055 -20.856 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.126 -20.679 -0.500 1.00 0.00 H new ATOM 748 N GLN A 49 -12.300 -15.642 0.752 1.00 0.00 N ATOM 749 CA GLN A 49 -13.456 -14.954 1.316 1.00 0.00 C ATOM 750 C GLN A 49 -14.598 -15.931 1.574 1.00 0.00 C ATOM 751 O GLN A 49 -14.501 -17.115 1.250 1.00 0.00 O ATOM 752 CB GLN A 49 -13.923 -13.841 0.376 1.00 0.00 C ATOM 753 CG GLN A 49 -12.872 -12.770 0.132 1.00 0.00 C ATOM 754 CD GLN A 49 -12.697 -11.844 1.319 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.537 -10.981 1.577 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.601 -12.017 2.049 1.00 0.00 N ATOM 0 H GLN A 49 -12.371 -15.838 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.157 -14.514 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.211 -14.280 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.815 -13.374 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.919 -13.247 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.152 -12.184 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.931 -12.745 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.429 -11.422 2.860 1.00 0.00 H new ATOM 765 N SER A 50 -15.680 -15.428 2.159 1.00 0.00 N ATOM 766 CA SER A 50 -16.840 -16.257 2.464 1.00 0.00 C ATOM 767 C SER A 50 -18.037 -15.395 2.855 1.00 0.00 C ATOM 768 O SER A 50 -17.887 -14.368 3.517 1.00 0.00 O ATOM 769 CB SER A 50 -16.511 -17.234 3.594 1.00 0.00 C ATOM 770 OG SER A 50 -16.130 -16.544 4.772 1.00 0.00 O ATOM 0 H SER A 50 -15.778 -14.450 2.431 1.00 0.00 H new ATOM 0 HA SER A 50 -17.098 -16.821 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.378 -17.861 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.705 -17.898 3.281 1.00 0.00 H new ATOM 0 HG SER A 50 -15.927 -17.191 5.479 1.00 0.00 H new ATOM 776 N ALA A 51 -19.225 -15.820 2.439 1.00 0.00 N ATOM 777 CA ALA A 51 -20.448 -15.089 2.746 1.00 0.00 C ATOM 778 C ALA A 51 -20.447 -14.597 4.189 1.00 0.00 C ATOM 779 O ALA A 51 -21.116 -13.620 4.523 1.00 0.00 O ATOM 780 CB ALA A 51 -21.666 -15.965 2.486 1.00 0.00 C ATOM 0 H ALA A 51 -19.367 -16.667 1.888 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.494 -14.218 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.572 -15.406 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.683 -16.263 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.616 -16.854 3.115 1.00 0.00 H new ATOM 786 N ASP A 52 -19.691 -15.281 5.041 1.00 0.00 N ATOM 787 CA ASP A 52 -19.602 -14.913 6.449 1.00 0.00 C ATOM 788 C ASP A 52 -19.228 -13.443 6.604 1.00 0.00 C ATOM 789 O ASP A 52 -19.808 -12.726 7.421 1.00 0.00 O ATOM 790 CB ASP A 52 -18.574 -15.792 7.164 1.00 0.00 C ATOM 791 CG ASP A 52 -19.190 -17.050 7.743 1.00 0.00 C ATOM 792 OD1 ASP A 52 -19.593 -17.930 6.955 1.00 0.00 O ATOM 793 OD2 ASP A 52 -19.270 -17.154 8.986 1.00 0.00 O ATOM 0 H ASP A 52 -19.131 -16.093 4.781 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.581 -15.070 6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.785 -16.067 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.105 -15.219 7.964 1.00 0.00 H new ATOM 798 N VAL A 53 -18.255 -12.998 5.816 1.00 0.00 N ATOM 799 CA VAL A 53 -17.803 -11.613 5.865 1.00 0.00 C ATOM 800 C VAL A 53 -18.816 -10.681 5.211 1.00 0.00 C ATOM 801 O VAL A 53 -19.387 -10.982 4.162 1.00 0.00 O ATOM 802 CB VAL A 53 -16.440 -11.442 5.169 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.450 -12.483 5.669 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.599 -11.528 3.658 1.00 0.00 C ATOM 0 H VAL A 53 -17.764 -13.577 5.135 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.700 -11.351 6.918 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.048 -10.455 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.493 -12.346 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.314 -12.369 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.833 -13.481 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.626 -11.405 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.014 -12.500 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.271 -10.741 3.318 1.00 0.00 H new ATOM 814 N PRO A 54 -19.047 -9.521 5.842 1.00 0.00 N ATOM 815 CA PRO A 54 -19.992 -8.519 5.339 1.00 0.00 C ATOM 816 C PRO A 54 -19.495 -7.841 4.067 1.00 0.00 C ATOM 817 O PRO A 54 -18.535 -8.295 3.444 1.00 0.00 O ATOM 818 CB PRO A 54 -20.082 -7.508 6.484 1.00 0.00 C ATOM 819 CG PRO A 54 -18.791 -7.648 7.215 1.00 0.00 C ATOM 820 CD PRO A 54 -18.403 -9.096 7.097 1.00 0.00 C ATOM 0 HA PRO A 54 -20.950 -8.963 5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.216 -6.494 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.930 -7.721 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.026 -7.003 6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.901 -7.357 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.321 -9.220 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.758 -9.678 7.948 1.00 0.00 H new ATOM 828 N ALA A 55 -20.153 -6.751 3.687 1.00 0.00 N ATOM 829 CA ALA A 55 -19.776 -6.009 2.490 1.00 0.00 C ATOM 830 C ALA A 55 -18.616 -5.061 2.776 1.00 0.00 C ATOM 831 O ALA A 55 -17.698 -4.928 1.967 1.00 0.00 O ATOM 832 CB ALA A 55 -20.970 -5.236 1.950 1.00 0.00 C ATOM 0 H ALA A 55 -20.950 -6.362 4.191 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.450 -6.725 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.674 -4.687 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.771 -5.932 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.322 -4.535 2.707 1.00 0.00 H new ATOM 838 N GLY A 56 -18.664 -4.404 3.931 1.00 0.00 N ATOM 839 CA GLY A 56 -17.611 -3.476 4.301 1.00 0.00 C ATOM 840 C GLY A 56 -16.258 -4.150 4.411 1.00 0.00 C ATOM 841 O GLY A 56 -15.263 -3.654 3.880 1.00 0.00 O ATOM 0 H GLY A 56 -19.413 -4.498 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.557 -2.678 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.860 -3.010 5.254 1.00 0.00 H new ATOM 845 N THR A 57 -16.217 -5.283 5.105 1.00 0.00 N ATOM 846 CA THR A 57 -14.975 -6.024 5.286 1.00 0.00 C ATOM 847 C THR A 57 -14.223 -6.167 3.968 1.00 0.00 C ATOM 848 O THR A 57 -12.997 -6.062 3.928 1.00 0.00 O ATOM 849 CB THR A 57 -15.237 -7.426 5.870 1.00 0.00 C ATOM 850 OG1 THR A 57 -15.759 -7.314 7.198 1.00 0.00 O ATOM 851 CG2 THR A 57 -13.960 -8.251 5.889 1.00 0.00 C ATOM 0 H THR A 57 -17.030 -5.708 5.551 1.00 0.00 H new ATOM 0 HA THR A 57 -14.366 -5.454 5.988 1.00 0.00 H new ATOM 0 HB THR A 57 -15.966 -7.929 5.235 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.489 -8.096 7.723 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.170 -9.236 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.582 -8.359 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.212 -7.749 6.503 1.00 0.00 H new ATOM 859 N MET A 58 -14.964 -6.407 2.892 1.00 0.00 N ATOM 860 CA MET A 58 -14.366 -6.563 1.571 1.00 0.00 C ATOM 861 C MET A 58 -13.630 -5.293 1.155 1.00 0.00 C ATOM 862 O MET A 58 -12.504 -5.352 0.662 1.00 0.00 O ATOM 863 CB MET A 58 -15.441 -6.906 0.538 1.00 0.00 C ATOM 864 CG MET A 58 -14.926 -7.746 -0.619 1.00 0.00 C ATOM 865 SD MET A 58 -13.444 -7.052 -1.376 1.00 0.00 S ATOM 866 CE MET A 58 -12.205 -8.226 -0.833 1.00 0.00 C ATOM 0 H MET A 58 -15.980 -6.498 2.908 1.00 0.00 H new ATOM 0 HA MET A 58 -13.646 -7.380 1.619 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.251 -7.442 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.864 -5.981 0.145 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.710 -8.753 -0.263 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.707 -7.835 -1.374 1.00 0.00 H new ATOM 0 HE1 MET A 58 -11.248 -7.717 -0.717 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.506 -8.656 0.122 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.106 -9.020 -1.574 1.00 0.00 H new ATOM 876 N GLU A 59 -14.274 -4.148 1.357 1.00 0.00 N ATOM 877 CA GLU A 59 -13.680 -2.865 1.001 1.00 0.00 C ATOM 878 C GLU A 59 -12.396 -2.623 1.789 1.00 0.00 C ATOM 879 O GLU A 59 -11.517 -1.882 1.350 1.00 0.00 O ATOM 880 CB GLU A 59 -14.672 -1.729 1.259 1.00 0.00 C ATOM 881 CG GLU A 59 -15.732 -1.590 0.180 1.00 0.00 C ATOM 882 CD GLU A 59 -15.304 -0.665 -0.943 1.00 0.00 C ATOM 883 OE1 GLU A 59 -14.940 0.493 -0.653 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.333 -1.101 -2.113 1.00 0.00 O ATOM 0 H GLU A 59 -15.207 -4.083 1.765 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.435 -2.889 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.162 -1.897 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.124 -0.791 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.958 -2.574 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.652 -1.212 0.626 1.00 0.00 H new ATOM 891 N GLU A 60 -12.296 -3.253 2.955 1.00 0.00 N ATOM 892 CA GLU A 60 -11.121 -3.105 3.805 1.00 0.00 C ATOM 893 C GLU A 60 -10.041 -4.113 3.422 1.00 0.00 C ATOM 894 O GLU A 60 -8.849 -3.856 3.588 1.00 0.00 O ATOM 895 CB GLU A 60 -11.502 -3.283 5.276 1.00 0.00 C ATOM 896 CG GLU A 60 -12.211 -2.079 5.871 1.00 0.00 C ATOM 897 CD GLU A 60 -11.268 -0.927 6.154 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.691 -0.381 5.191 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.107 -0.570 7.341 1.00 0.00 O ATOM 0 H GLU A 60 -13.015 -3.871 3.332 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.724 -2.101 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.146 -4.157 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.600 -3.485 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.990 -1.746 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.706 -2.374 6.796 1.00 0.00 H new ATOM 906 N CYS A 61 -10.469 -5.262 2.908 1.00 0.00 N ATOM 907 CA CYS A 61 -9.540 -6.310 2.502 1.00 0.00 C ATOM 908 C CYS A 61 -8.705 -5.864 1.307 1.00 0.00 C ATOM 909 O CYS A 61 -7.568 -6.301 1.133 1.00 0.00 O ATOM 910 CB CYS A 61 -10.302 -7.590 2.158 1.00 0.00 C ATOM 911 SG CYS A 61 -10.596 -8.678 3.572 1.00 0.00 S ATOM 0 H CYS A 61 -11.452 -5.490 2.763 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.868 -6.509 3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.261 -7.321 1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.744 -8.140 1.400 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.700 -9.339 3.389 1.00 0.00 H new ATOM 917 N MET A 62 -9.278 -4.992 0.484 1.00 0.00 N ATOM 918 CA MET A 62 -8.586 -4.487 -0.697 1.00 0.00 C ATOM 919 C MET A 62 -7.478 -3.515 -0.303 1.00 0.00 C ATOM 920 O MET A 62 -6.319 -3.700 -0.674 1.00 0.00 O ATOM 921 CB MET A 62 -9.575 -3.796 -1.637 1.00 0.00 C ATOM 922 CG MET A 62 -9.160 -3.845 -3.099 1.00 0.00 C ATOM 923 SD MET A 62 -9.243 -5.509 -3.789 1.00 0.00 S ATOM 924 CE MET A 62 -7.516 -5.808 -4.160 1.00 0.00 C ATOM 0 H MET A 62 -10.219 -4.620 0.613 1.00 0.00 H new ATOM 0 HA MET A 62 -8.136 -5.334 -1.214 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.553 -4.264 -1.530 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.685 -2.755 -1.334 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.804 -3.183 -3.678 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.143 -3.466 -3.197 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.404 -6.801 -4.595 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.161 -5.060 -4.869 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.931 -5.745 -3.243 1.00 0.00 H new ATOM 934 N GLN A 63 -7.842 -2.482 0.449 1.00 0.00 N ATOM 935 CA GLN A 63 -6.878 -1.482 0.892 1.00 0.00 C ATOM 936 C GLN A 63 -5.703 -2.138 1.609 1.00 0.00 C ATOM 937 O GLN A 63 -4.554 -1.726 1.448 1.00 0.00 O ATOM 938 CB GLN A 63 -7.552 -0.466 1.815 1.00 0.00 C ATOM 939 CG GLN A 63 -8.380 0.573 1.076 1.00 0.00 C ATOM 940 CD GLN A 63 -7.528 1.532 0.270 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.082 1.210 -0.832 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.297 2.721 0.815 1.00 0.00 N ATOM 0 H GLN A 63 -8.798 -2.315 0.764 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.499 -0.965 0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.194 -0.997 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.787 0.042 2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.080 0.068 0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.974 1.137 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.686 2.947 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.731 3.409 0.318 1.00 0.00 H new ATOM 951 N LYS A 64 -5.999 -3.163 2.402 1.00 0.00 N ATOM 952 CA LYS A 64 -4.968 -3.878 3.145 1.00 0.00 C ATOM 953 C LYS A 64 -4.128 -4.745 2.213 1.00 0.00 C ATOM 954 O LYS A 64 -2.916 -4.561 2.101 1.00 0.00 O ATOM 955 CB LYS A 64 -5.604 -4.747 4.233 1.00 0.00 C ATOM 956 CG LYS A 64 -6.185 -3.948 5.387 1.00 0.00 C ATOM 957 CD LYS A 64 -5.138 -3.664 6.451 1.00 0.00 C ATOM 958 CE LYS A 64 -5.717 -2.851 7.599 1.00 0.00 C ATOM 959 NZ LYS A 64 -6.780 -3.598 8.326 1.00 0.00 N ATOM 0 H LYS A 64 -6.945 -3.517 2.546 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.315 -3.141 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.393 -5.352 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.854 -5.436 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.589 -3.007 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.015 -4.498 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.742 -4.605 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.303 -3.124 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.920 -2.585 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.128 -1.918 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.006 -3.105 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.633 -3.653 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.445 -4.559 8.540 1.00 0.00 H new ATOM 973 N PHE A 65 -4.781 -5.690 1.544 1.00 0.00 N ATOM 974 CA PHE A 65 -4.094 -6.585 0.620 1.00 0.00 C ATOM 975 C PHE A 65 -3.091 -5.818 -0.237 1.00 0.00 C ATOM 976 O PHE A 65 -1.917 -6.183 -0.312 1.00 0.00 O ATOM 977 CB PHE A 65 -5.106 -7.301 -0.278 1.00 0.00 C ATOM 978 CG PHE A 65 -4.494 -8.366 -1.141 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.015 -9.540 -0.581 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.396 -8.194 -2.512 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.451 -10.523 -1.373 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.833 -9.173 -3.309 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.359 -10.339 -2.738 1.00 0.00 C ATOM 0 H PHE A 65 -5.784 -5.856 1.624 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.552 -7.326 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.879 -7.750 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.598 -6.566 -0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.083 -9.689 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.764 -7.284 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.083 -11.434 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.764 -9.027 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.917 -11.105 -3.359 1.00 0.00 H new ATOM 993 N ILE A 66 -3.562 -4.755 -0.880 1.00 0.00 N ATOM 994 CA ILE A 66 -2.706 -3.937 -1.730 1.00 0.00 C ATOM 995 C ILE A 66 -1.447 -3.503 -0.988 1.00 0.00 C ATOM 996 O ILE A 66 -0.331 -3.758 -1.440 1.00 0.00 O ATOM 997 CB ILE A 66 -3.448 -2.685 -2.235 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.594 -3.085 -3.166 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.482 -1.749 -2.947 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.716 -2.071 -3.213 1.00 0.00 C ATOM 0 H ILE A 66 -4.531 -4.440 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.426 -4.554 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.869 -2.159 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.201 -3.227 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.996 -4.045 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.021 -0.869 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.697 -1.442 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.036 -2.265 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.494 -2.420 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.136 -1.946 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.328 -1.115 -3.566 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.634 -2.849 0.154 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.512 -2.381 0.959 1.00 0.00 C ATOM 1014 C GLU A 67 0.438 -3.529 1.287 1.00 0.00 C ATOM 1015 O GLU A 67 1.650 -3.417 1.105 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.017 -1.736 2.251 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.693 -0.393 2.038 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.670 -0.049 3.145 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.290 -0.162 4.329 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.816 0.334 2.827 1.00 0.00 O ATOM 0 H GLU A 67 -2.552 -2.631 0.542 1.00 0.00 H new ATOM 0 HA GLU A 67 0.033 -1.636 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.720 -2.414 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.178 -1.606 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.933 0.386 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.220 -0.403 1.084 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.122 -4.632 1.773 1.00 0.00 N ATOM 1028 CA ILE A 68 0.674 -5.801 2.126 1.00 0.00 C ATOM 1029 C ILE A 68 1.546 -6.246 0.957 1.00 0.00 C ATOM 1030 O ILE A 68 2.756 -6.417 1.101 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.218 -6.978 2.564 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.010 -6.606 3.819 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.627 -8.218 2.813 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.339 -7.320 3.929 1.00 0.00 C ATOM 0 H ILE A 68 -1.124 -4.740 1.931 1.00 0.00 H new ATOM 0 HA ILE A 68 1.311 -5.508 2.961 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.924 -7.198 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.409 -6.836 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.183 -5.530 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.017 -9.041 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.151 -8.491 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.354 -8.011 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.845 -7.008 4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.958 -7.071 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.172 -8.397 3.957 1.00 0.00 H new ATOM 1046 N ASP A 69 0.922 -6.431 -0.202 1.00 0.00 N ATOM 1047 CA ASP A 69 1.642 -6.853 -1.398 1.00 0.00 C ATOM 1048 C ASP A 69 2.816 -5.922 -1.683 1.00 0.00 C ATOM 1049 O ASP A 69 3.734 -6.275 -2.424 1.00 0.00 O ATOM 1050 CB ASP A 69 0.698 -6.887 -2.601 1.00 0.00 C ATOM 1051 CG ASP A 69 1.213 -7.776 -3.716 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.486 -8.964 -3.449 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.344 -7.282 -4.856 1.00 0.00 O ATOM 0 H ASP A 69 -0.080 -6.295 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 69 2.032 -7.856 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.282 -7.242 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.562 -5.875 -2.981 1.00 0.00 H new ATOM 1058 N GLN A 70 2.779 -4.733 -1.091 1.00 0.00 N ATOM 1059 CA GLN A 70 3.840 -3.751 -1.284 1.00 0.00 C ATOM 1060 C GLN A 70 4.891 -3.863 -0.184 1.00 0.00 C ATOM 1061 O GLN A 70 6.082 -4.000 -0.462 1.00 0.00 O ATOM 1062 CB GLN A 70 3.257 -2.337 -1.306 1.00 0.00 C ATOM 1063 CG GLN A 70 2.770 -1.902 -2.679 1.00 0.00 C ATOM 1064 CD GLN A 70 1.772 -2.874 -3.279 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.025 -4.077 -3.348 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.630 -2.356 -3.716 1.00 0.00 N ATOM 0 H GLN A 70 2.027 -4.426 -0.474 1.00 0.00 H new ATOM 0 HA GLN A 70 4.319 -3.954 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.427 -2.284 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.015 -1.635 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.311 -0.917 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.624 -1.804 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.462 -1.353 -3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.080 -2.961 -4.129 1.00 0.00 H new ATOM 1075 N ALA A 71 4.442 -3.804 1.065 1.00 0.00 N ATOM 1076 CA ALA A 71 5.344 -3.900 2.206 1.00 0.00 C ATOM 1077 C ALA A 71 6.346 -5.034 2.020 1.00 0.00 C ATOM 1078 O ALA A 71 7.437 -5.011 2.590 1.00 0.00 O ATOM 1079 CB ALA A 71 4.552 -4.099 3.490 1.00 0.00 C ATOM 0 H ALA A 71 3.459 -3.690 1.313 1.00 0.00 H new ATOM 0 HA ALA A 71 5.901 -2.966 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.238 -4.169 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.880 -3.253 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.969 -5.017 3.419 1.00 0.00 H new ATOM 1085 N TRP A 72 5.968 -6.025 1.221 1.00 0.00 N ATOM 1086 CA TRP A 72 6.835 -7.169 0.961 1.00 0.00 C ATOM 1087 C TRP A 72 7.809 -6.868 -0.173 1.00 0.00 C ATOM 1088 O TRP A 72 8.931 -7.373 -0.191 1.00 0.00 O ATOM 1089 CB TRP A 72 5.997 -8.402 0.616 1.00 0.00 C ATOM 1090 CG TRP A 72 6.821 -9.626 0.354 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.863 -10.354 -0.801 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.719 -10.266 1.268 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.734 -11.408 -0.660 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.272 -11.376 0.599 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.111 -10.009 2.584 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.194 -12.225 1.204 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.026 -10.853 3.183 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.560 -11.950 2.494 1.00 0.00 C ATOM 0 H TRP A 72 5.068 -6.060 0.742 1.00 0.00 H new ATOM 0 HA TRP A 72 7.410 -7.370 1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.308 -8.605 1.436 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.391 -8.186 -0.264 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.296 -10.134 -1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.945 -12.102 -1.377 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.706 -9.166 3.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.606 -13.071 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.335 -10.664 4.200 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.274 -12.591 2.990 1.00 0.00 H new ATOM 1109 N LYS A 73 7.372 -6.042 -1.118 1.00 0.00 N ATOM 1110 CA LYS A 73 8.206 -5.672 -2.256 1.00 0.00 C ATOM 1111 C LYS A 73 9.493 -4.998 -1.790 1.00 0.00 C ATOM 1112 O LYS A 73 10.502 -5.013 -2.496 1.00 0.00 O ATOM 1113 CB LYS A 73 7.439 -4.738 -3.194 1.00 0.00 C ATOM 1114 CG LYS A 73 6.531 -5.467 -4.169 1.00 0.00 C ATOM 1115 CD LYS A 73 6.032 -4.540 -5.265 1.00 0.00 C ATOM 1116 CE LYS A 73 4.788 -3.780 -4.830 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.147 -3.067 -5.969 1.00 0.00 N ATOM 0 H LYS A 73 6.445 -5.616 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 73 8.468 -6.583 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.840 -4.050 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.152 -4.135 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.071 -6.302 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.681 -5.887 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.818 -3.832 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.810 -5.120 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.074 -4.475 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.054 -3.061 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.303 -2.561 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.820 -2.385 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.870 -3.755 -6.698 1.00 0.00 H new ATOM 1131 N ILE A 74 9.450 -4.409 -0.600 1.00 0.00 N ATOM 1132 CA ILE A 74 10.614 -3.733 -0.041 1.00 0.00 C ATOM 1133 C ILE A 74 11.234 -4.549 1.088 1.00 0.00 C ATOM 1134 O ILE A 74 12.457 -4.608 1.226 1.00 0.00 O ATOM 1135 CB ILE A 74 10.250 -2.334 0.492 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.959 -1.382 -0.669 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.373 -1.790 1.362 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.741 -1.770 -1.479 1.00 0.00 C ATOM 0 H ILE A 74 8.622 -4.386 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 74 11.337 -3.628 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 74 9.351 -2.417 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.818 -0.375 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.827 -1.349 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.101 -0.801 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.536 -2.460 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.287 -1.719 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.596 -1.051 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.887 -2.764 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.862 -1.775 -0.834 1.00 0.00 H new ATOM 1150 N LEU A 75 10.385 -5.178 1.892 1.00 0.00 N ATOM 1151 CA LEU A 75 10.849 -5.993 3.009 1.00 0.00 C ATOM 1152 C LEU A 75 10.940 -7.463 2.610 1.00 0.00 C ATOM 1153 O LEU A 75 11.018 -8.345 3.464 1.00 0.00 O ATOM 1154 CB LEU A 75 9.911 -5.835 4.207 1.00 0.00 C ATOM 1155 CG LEU A 75 9.822 -4.433 4.809 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.774 -4.390 5.910 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.178 -3.996 5.345 1.00 0.00 C ATOM 0 H LEU A 75 9.371 -5.139 1.791 1.00 0.00 H new ATOM 0 HA LEU A 75 11.845 -5.649 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.910 -6.142 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.232 -6.524 4.988 1.00 0.00 H new ATOM 0 HG LEU A 75 9.523 -3.740 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.725 -3.384 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.802 -4.660 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.043 -5.096 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.096 -2.996 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.506 -4.692 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.905 -3.987 4.533 1.00 0.00 H new ATOM 1169 N GLY A 76 10.930 -7.718 1.305 1.00 0.00 N ATOM 1170 CA GLY A 76 11.013 -9.081 0.815 1.00 0.00 C ATOM 1171 C GLY A 76 12.371 -9.403 0.223 1.00 0.00 C ATOM 1172 O GLY A 76 12.827 -10.544 0.283 1.00 0.00 O ATOM 0 H GLY A 76 10.866 -7.005 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.804 -9.771 1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.244 -9.240 0.059 1.00 0.00 H new ATOM 1176 N ASN A 77 13.018 -8.394 -0.351 1.00 0.00 N ATOM 1177 CA ASN A 77 14.332 -8.576 -0.959 1.00 0.00 C ATOM 1178 C ASN A 77 15.440 -8.360 0.067 1.00 0.00 C ATOM 1179 O ASN A 77 15.233 -7.708 1.090 1.00 0.00 O ATOM 1180 CB ASN A 77 14.512 -7.610 -2.132 1.00 0.00 C ATOM 1181 CG ASN A 77 15.537 -8.103 -3.134 1.00 0.00 C ATOM 1182 OD1 ASN A 77 16.042 -9.221 -3.024 1.00 0.00 O ATOM 1183 ND2 ASN A 77 15.851 -7.269 -4.119 1.00 0.00 N ATOM 0 H ASN A 77 12.655 -7.443 -0.408 1.00 0.00 H new ATOM 0 HA ASN A 77 14.396 -9.600 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.555 -7.470 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.818 -6.635 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.535 -7.546 -4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.408 -6.352 -4.171 1.00 0.00 H new ATOM 1190 N GLU A 78 16.616 -8.911 -0.215 1.00 0.00 N ATOM 1191 CA GLU A 78 17.757 -8.779 0.684 1.00 0.00 C ATOM 1192 C GLU A 78 18.380 -7.390 0.571 1.00 0.00 C ATOM 1193 O GLU A 78 18.831 -6.820 1.563 1.00 0.00 O ATOM 1194 CB GLU A 78 18.806 -9.848 0.372 1.00 0.00 C ATOM 1195 CG GLU A 78 19.819 -10.049 1.486 1.00 0.00 C ATOM 1196 CD GLU A 78 20.737 -11.230 1.235 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.360 -12.362 1.601 1.00 0.00 O ATOM 1198 OE2 GLU A 78 21.832 -11.021 0.672 1.00 0.00 O ATOM 0 H GLU A 78 16.804 -9.453 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 78 17.401 -8.917 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.301 -10.794 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.333 -9.573 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.418 -9.145 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.292 -10.197 2.429 1.00 0.00 H new ATOM 1205 N GLU A 79 18.401 -6.854 -0.645 1.00 0.00 N ATOM 1206 CA GLU A 79 18.969 -5.534 -0.888 1.00 0.00 C ATOM 1207 C GLU A 79 18.034 -4.438 -0.385 1.00 0.00 C ATOM 1208 O GLU A 79 18.372 -3.688 0.532 1.00 0.00 O ATOM 1209 CB GLU A 79 19.245 -5.339 -2.380 1.00 0.00 C ATOM 1210 CG GLU A 79 19.545 -6.633 -3.118 1.00 0.00 C ATOM 1211 CD GLU A 79 20.487 -6.432 -4.290 1.00 0.00 C ATOM 1212 OE1 GLU A 79 20.157 -5.625 -5.184 1.00 0.00 O ATOM 1213 OE2 GLU A 79 21.553 -7.081 -4.311 1.00 0.00 O ATOM 0 H GLU A 79 18.031 -7.314 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 79 19.909 -5.465 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.381 -4.860 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.088 -4.659 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.983 -7.350 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.612 -7.067 -3.477 1.00 0.00 H new ATOM 1220 N THR A 80 16.855 -4.350 -0.992 1.00 0.00 N ATOM 1221 CA THR A 80 15.870 -3.346 -0.608 1.00 0.00 C ATOM 1222 C THR A 80 15.623 -3.365 0.896 1.00 0.00 C ATOM 1223 O THR A 80 15.789 -2.352 1.576 1.00 0.00 O ATOM 1224 CB THR A 80 14.532 -3.562 -1.340 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.867 -4.715 -0.814 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.755 -3.737 -2.835 1.00 0.00 C ATOM 0 H THR A 80 16.559 -4.962 -1.752 1.00 0.00 H new ATOM 0 HA THR A 80 16.279 -2.377 -0.894 1.00 0.00 H new ATOM 0 HB THR A 80 13.910 -2.681 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.279 -4.446 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.796 -3.888 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 80 15.235 -2.845 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.394 -4.603 -3.009 1.00 0.00 H new ATOM 1234 N LYS A 81 15.225 -4.524 1.410 1.00 0.00 N ATOM 1235 CA LYS A 81 14.956 -4.676 2.835 1.00 0.00 C ATOM 1236 C LYS A 81 16.083 -4.075 3.669 1.00 0.00 C ATOM 1237 O LYS A 81 15.852 -3.549 4.757 1.00 0.00 O ATOM 1238 CB LYS A 81 14.781 -6.156 3.186 1.00 0.00 C ATOM 1239 CG LYS A 81 14.365 -6.393 4.628 1.00 0.00 C ATOM 1240 CD LYS A 81 15.571 -6.488 5.548 1.00 0.00 C ATOM 1241 CE LYS A 81 15.241 -6.000 6.950 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.465 -5.603 7.701 1.00 0.00 N ATOM 0 H LYS A 81 15.082 -5.372 0.861 1.00 0.00 H new ATOM 0 HA LYS A 81 14.034 -4.142 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.033 -6.592 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.718 -6.679 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.717 -5.581 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.783 -7.312 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.916 -7.521 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.390 -5.896 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.561 -5.150 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.719 -6.787 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.303 -4.689 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.683 -6.326 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.264 -5.516 7.041 1.00 0.00 H new ATOM 1256 N LYS A 82 17.304 -4.156 3.151 1.00 0.00 N ATOM 1257 CA LYS A 82 18.468 -3.618 3.846 1.00 0.00 C ATOM 1258 C LYS A 82 18.568 -2.109 3.650 1.00 0.00 C ATOM 1259 O LYS A 82 19.128 -1.399 4.486 1.00 0.00 O ATOM 1260 CB LYS A 82 19.746 -4.294 3.344 1.00 0.00 C ATOM 1261 CG LYS A 82 21.019 -3.661 3.877 1.00 0.00 C ATOM 1262 CD LYS A 82 22.239 -4.120 3.096 1.00 0.00 C ATOM 1263 CE LYS A 82 23.470 -3.301 3.454 1.00 0.00 C ATOM 1264 NZ LYS A 82 24.729 -3.992 3.062 1.00 0.00 N ATOM 0 H LYS A 82 17.513 -4.589 2.252 1.00 0.00 H new ATOM 0 HA LYS A 82 18.351 -3.822 4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.726 -5.346 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.762 -4.259 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.938 -2.575 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.141 -3.918 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.429 -5.173 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.042 -4.034 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.418 -2.332 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.480 -3.110 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.545 -3.402 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.791 -4.906 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.732 -4.152 2.034 1.00 0.00 H new ATOM 1278 N LYS A 83 18.022 -1.623 2.540 1.00 0.00 N ATOM 1279 CA LYS A 83 18.048 -0.197 2.235 1.00 0.00 C ATOM 1280 C LYS A 83 16.976 0.547 3.024 1.00 0.00 C ATOM 1281 O LYS A 83 17.267 1.519 3.721 1.00 0.00 O ATOM 1282 CB LYS A 83 17.841 0.028 0.735 1.00 0.00 C ATOM 1283 CG LYS A 83 18.944 -0.563 -0.126 1.00 0.00 C ATOM 1284 CD LYS A 83 18.843 -0.087 -1.566 1.00 0.00 C ATOM 1285 CE LYS A 83 17.952 -1.000 -2.394 1.00 0.00 C ATOM 1286 NZ LYS A 83 16.525 -0.579 -2.343 1.00 0.00 N ATOM 0 H LYS A 83 17.556 -2.196 1.836 1.00 0.00 H new ATOM 0 HA LYS A 83 19.024 0.194 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.887 -0.408 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.775 1.099 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.915 -0.284 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.886 -1.651 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.446 0.928 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 83 19.838 -0.049 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.294 -0.999 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.042 -2.023 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.920 -1.417 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.382 0.065 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.275 -0.091 -3.227 1.00 0.00 H new ATOM 1300 N TYR A 84 15.736 0.084 2.911 1.00 0.00 N ATOM 1301 CA TYR A 84 14.620 0.707 3.613 1.00 0.00 C ATOM 1302 C TYR A 84 14.962 0.938 5.082 1.00 0.00 C ATOM 1303 O TYR A 84 14.798 2.041 5.603 1.00 0.00 O ATOM 1304 CB TYR A 84 13.368 -0.164 3.499 1.00 0.00 C ATOM 1305 CG TYR A 84 12.156 0.426 4.183 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.454 1.480 3.608 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.711 -0.068 5.403 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.346 2.023 4.229 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.603 0.468 6.030 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.924 1.513 5.439 1.00 0.00 C ATOM 1311 OH TYR A 84 8.821 2.051 6.062 1.00 0.00 O ATOM 0 H TYR A 84 15.478 -0.721 2.340 1.00 0.00 H new ATOM 0 HA TYR A 84 14.425 1.673 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.139 -0.321 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.577 -1.144 3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.781 1.881 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.241 -0.886 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 84 9.813 2.842 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.270 0.071 6.978 1.00 0.00 H new ATOM 0 HH TYR A 84 8.224 2.442 5.390 1.00 0.00 H new ATOM 1321 N ASP A 85 15.437 -0.111 5.743 1.00 0.00 N ATOM 1322 CA ASP A 85 15.804 -0.025 7.152 1.00 0.00 C ATOM 1323 C ASP A 85 16.728 1.163 7.401 1.00 0.00 C ATOM 1324 O ASP A 85 16.549 1.911 8.363 1.00 0.00 O ATOM 1325 CB ASP A 85 16.483 -1.319 7.604 1.00 0.00 C ATOM 1326 CG ASP A 85 16.293 -1.585 9.085 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.026 -0.621 9.832 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.410 -2.759 9.495 1.00 0.00 O ATOM 0 H ASP A 85 15.577 -1.031 5.326 1.00 0.00 H new ATOM 0 HA ASP A 85 14.892 0.119 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.081 -2.156 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.549 -1.264 7.381 1.00 0.00 H new ATOM 1333 N LEU A 86 17.716 1.330 6.529 1.00 0.00 N ATOM 1334 CA LEU A 86 18.670 2.427 6.655 1.00 0.00 C ATOM 1335 C LEU A 86 17.990 3.770 6.408 1.00 0.00 C ATOM 1336 O LEU A 86 18.061 4.674 7.241 1.00 0.00 O ATOM 1337 CB LEU A 86 19.826 2.240 5.670 1.00 0.00 C ATOM 1338 CG LEU A 86 20.588 0.919 5.775 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.278 0.595 4.458 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.600 0.975 6.910 1.00 0.00 C ATOM 0 H LEU A 86 17.878 0.720 5.727 1.00 0.00 H new ATOM 0 HA LEU A 86 19.062 2.420 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.433 2.330 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.534 3.057 5.811 1.00 0.00 H new ATOM 0 HG LEU A 86 19.873 0.125 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.815 -0.349 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.532 0.511 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.981 1.390 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.133 0.026 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.311 1.780 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.082 1.160 7.851 1.00 0.00 H new ATOM 1352 N GLN A 87 17.331 3.893 5.261 1.00 0.00 N ATOM 1353 CA GLN A 87 16.638 5.125 4.906 1.00 0.00 C ATOM 1354 C GLN A 87 15.797 5.632 6.074 1.00 0.00 C ATOM 1355 O GLN A 87 15.830 6.816 6.408 1.00 0.00 O ATOM 1356 CB GLN A 87 15.749 4.901 3.682 1.00 0.00 C ATOM 1357 CG GLN A 87 16.503 4.960 2.363 1.00 0.00 C ATOM 1358 CD GLN A 87 17.419 6.165 2.268 1.00 0.00 C ATOM 1359 OE1 GLN A 87 18.628 6.058 2.475 1.00 0.00 O ATOM 1360 NE2 GLN A 87 16.846 7.320 1.953 1.00 0.00 N ATOM 0 H GLN A 87 17.262 3.154 4.561 1.00 0.00 H new ATOM 0 HA GLN A 87 17.389 5.879 4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.262 3.930 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.960 5.653 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.092 4.050 2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.788 4.986 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.840 7.362 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.412 8.165 1.874 1.00 0.00 H new ATOM 1369 N ARG A 88 15.044 4.727 6.691 1.00 0.00 N ATOM 1370 CA ARG A 88 14.193 5.083 7.820 1.00 0.00 C ATOM 1371 C ARG A 88 14.861 6.142 8.691 1.00 0.00 C ATOM 1372 O ARG A 88 16.087 6.206 8.779 1.00 0.00 O ATOM 1373 CB ARG A 88 13.877 3.843 8.658 1.00 0.00 C ATOM 1374 CG ARG A 88 12.852 2.920 8.019 1.00 0.00 C ATOM 1375 CD ARG A 88 12.370 1.861 8.998 1.00 0.00 C ATOM 1376 NE ARG A 88 11.739 2.450 10.176 1.00 0.00 N ATOM 1377 CZ ARG A 88 12.408 2.811 11.265 1.00 0.00 C ATOM 1378 NH1 ARG A 88 13.722 2.644 11.325 1.00 0.00 N ATOM 1379 NH2 ARG A 88 11.764 3.340 12.297 1.00 0.00 N ATOM 0 H ARG A 88 15.006 3.742 6.428 1.00 0.00 H new ATOM 0 HA ARG A 88 13.263 5.494 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.798 3.286 8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.510 4.159 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.003 3.506 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.290 2.437 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.660 1.202 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.213 1.244 9.309 1.00 0.00 H new ATOM 0 HE ARG A 88 10.729 2.592 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.221 2.238 10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.234 2.922 12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.753 3.470 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.280 3.617 13.132 1.00 0.00 H new