USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 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 :FLIP amide:sc= 0.974 F(o=-1.8,f=-0.011) USER MOD Set 1.2: A 61 CYS SG : rot -71:sc= -0.985 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.0644 (180deg=-0.85) 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) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.42) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 45 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -5:sc= 0.929 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -160:sc= -0.571 (180deg=-1.76!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0792 K(o=-0.079,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 88:sc= 0.527 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+ -179:sc= 0 (180deg=-0.0133) USER MOD Single : A 84 TYR OH : rot 41:sc= 0.628 USER MOD Single : A 87 GLN : amide:sc= -0.948 K(o=-0.95,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 5.556 5.452 3.236 1.00 0.00 N ATOM 200 CA LYS A 16 4.743 4.435 3.893 1.00 0.00 C ATOM 201 C LYS A 16 5.600 3.547 4.788 1.00 0.00 C ATOM 202 O LYS A 16 6.757 3.267 4.475 1.00 0.00 O ATOM 203 CB LYS A 16 4.019 3.580 2.850 1.00 0.00 C ATOM 204 CG LYS A 16 2.989 2.636 3.447 1.00 0.00 C ATOM 205 CD LYS A 16 1.999 2.156 2.398 1.00 0.00 C ATOM 206 CE LYS A 16 0.799 3.085 2.297 1.00 0.00 C ATOM 207 NZ LYS A 16 1.022 4.174 1.305 1.00 0.00 N ATOM 0 HA LYS A 16 4.005 4.941 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.526 4.236 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.755 2.998 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.494 1.778 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.453 3.142 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.495 2.094 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.662 1.150 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.082 2.510 2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.594 3.521 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.106 4.501 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.514 4.967 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.602 3.815 0.520 1.00 0.00 H new ATOM 221 N ASP A 17 5.025 3.105 5.901 1.00 0.00 N ATOM 222 CA ASP A 17 5.736 2.246 6.840 1.00 0.00 C ATOM 223 C ASP A 17 5.391 0.779 6.603 1.00 0.00 C ATOM 224 O ASP A 17 4.327 0.308 7.003 1.00 0.00 O ATOM 225 CB ASP A 17 5.395 2.636 8.280 1.00 0.00 C ATOM 226 CG ASP A 17 6.229 3.800 8.777 1.00 0.00 C ATOM 227 OD1 ASP A 17 6.407 4.772 8.012 1.00 0.00 O ATOM 228 OD2 ASP A 17 6.703 3.741 9.930 1.00 0.00 O ATOM 0 H ASP A 17 4.068 3.328 6.175 1.00 0.00 H new ATOM 0 HA ASP A 17 6.806 2.380 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.339 2.897 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.550 1.777 8.933 1.00 0.00 H new ATOM 233 N TRP A 18 6.298 0.063 5.948 1.00 0.00 N ATOM 234 CA TRP A 18 6.089 -1.351 5.656 1.00 0.00 C ATOM 235 C TRP A 18 6.290 -2.201 6.906 1.00 0.00 C ATOM 236 O TRP A 18 5.656 -3.244 7.067 1.00 0.00 O ATOM 237 CB TRP A 18 7.043 -1.811 4.552 1.00 0.00 C ATOM 238 CG TRP A 18 6.978 -0.962 3.319 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.009 -0.280 2.738 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.821 -0.704 2.516 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.562 0.387 1.623 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.224 0.143 1.465 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.484 -1.106 2.582 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.337 0.593 0.490 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.606 -0.658 1.615 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.035 0.183 0.579 1.00 0.00 C ATOM 0 H TRP A 18 7.184 0.438 5.609 1.00 0.00 H new ATOM 0 HA TRP A 18 5.062 -1.478 5.315 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.063 -1.803 4.936 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.810 -2.842 4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.026 -0.267 3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.134 0.970 1.012 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.144 -1.755 3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.665 1.243 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.570 -0.961 1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.324 0.514 -0.163 1.00 0.00 H new ATOM 257 N TYR A 19 7.175 -1.749 7.787 1.00 0.00 N ATOM 258 CA TYR A 19 7.461 -2.469 9.022 1.00 0.00 C ATOM 259 C TYR A 19 6.256 -2.447 9.957 1.00 0.00 C ATOM 260 O TYR A 19 6.192 -3.206 10.924 1.00 0.00 O ATOM 261 CB TYR A 19 8.677 -1.861 9.723 1.00 0.00 C ATOM 262 CG TYR A 19 9.989 -2.170 9.038 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.346 -3.478 8.736 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.871 -1.154 8.692 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.544 -3.765 8.111 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.070 -1.432 8.066 1.00 0.00 C ATOM 267 CZ TYR A 19 12.402 -2.739 7.777 1.00 0.00 C ATOM 268 OH TYR A 19 13.596 -3.021 7.154 1.00 0.00 O ATOM 0 H TYR A 19 7.707 -0.887 7.669 1.00 0.00 H new ATOM 0 HA TYR A 19 7.680 -3.506 8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.551 -0.780 9.777 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.717 -2.229 10.748 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.676 -4.284 8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.615 -0.129 8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.807 -4.788 7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.744 -0.630 7.804 1.00 0.00 H new ATOM 0 HH TYR A 19 14.083 -2.187 6.987 1.00 0.00 H new ATOM 278 N SER A 20 5.303 -1.569 9.662 1.00 0.00 N ATOM 279 CA SER A 20 4.100 -1.443 10.477 1.00 0.00 C ATOM 280 C SER A 20 2.938 -2.210 9.853 1.00 0.00 C ATOM 281 O SER A 20 2.131 -2.816 10.558 1.00 0.00 O ATOM 282 CB SER A 20 3.723 0.030 10.644 1.00 0.00 C ATOM 283 OG SER A 20 3.005 0.240 11.847 1.00 0.00 O ATOM 0 H SER A 20 5.340 -0.934 8.865 1.00 0.00 H new ATOM 0 HA SER A 20 4.309 -1.870 11.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.625 0.642 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.119 0.352 9.796 1.00 0.00 H new ATOM 0 HG SER A 20 2.778 1.190 11.931 1.00 0.00 H new ATOM 289 N ILE A 21 2.861 -2.179 8.527 1.00 0.00 N ATOM 290 CA ILE A 21 1.799 -2.872 7.808 1.00 0.00 C ATOM 291 C ILE A 21 1.927 -4.383 7.960 1.00 0.00 C ATOM 292 O ILE A 21 0.927 -5.101 8.000 1.00 0.00 O ATOM 293 CB ILE A 21 1.810 -2.516 6.309 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.637 -1.007 6.120 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.714 -3.276 5.577 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.052 -0.519 4.750 1.00 0.00 C ATOM 0 H ILE A 21 3.521 -1.682 7.929 1.00 0.00 H new ATOM 0 HA ILE A 21 0.856 -2.544 8.245 1.00 0.00 H new ATOM 0 HB ILE A 21 2.772 -2.808 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.593 -0.745 6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.223 -0.485 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.734 -3.014 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.877 -4.348 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.256 -3.011 5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.902 0.559 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.104 -0.750 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.449 -1.014 3.989 1.00 0.00 H new ATOM 308 N LEU A 22 3.164 -4.861 8.047 1.00 0.00 N ATOM 309 CA LEU A 22 3.424 -6.289 8.198 1.00 0.00 C ATOM 310 C LEU A 22 3.662 -6.647 9.661 1.00 0.00 C ATOM 311 O LEU A 22 4.038 -7.774 9.982 1.00 0.00 O ATOM 312 CB LEU A 22 4.634 -6.698 7.357 1.00 0.00 C ATOM 313 CG LEU A 22 4.558 -6.368 5.866 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.928 -6.502 5.219 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.548 -7.269 5.171 1.00 0.00 C ATOM 0 H LEU A 22 4.002 -4.281 8.016 1.00 0.00 H new ATOM 0 HA LEU A 22 2.546 -6.833 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.519 -6.215 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.779 -7.773 7.464 1.00 0.00 H new ATOM 0 HG LEU A 22 4.228 -5.335 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.854 -6.263 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.625 -5.815 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.288 -7.524 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.507 -7.020 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.848 -8.310 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.564 -7.123 5.616 1.00 0.00 H new ATOM 327 N GLY A 23 3.439 -5.680 10.546 1.00 0.00 N ATOM 328 CA GLY A 23 3.632 -5.914 11.965 1.00 0.00 C ATOM 329 C GLY A 23 5.002 -6.485 12.277 1.00 0.00 C ATOM 330 O GLY A 23 5.134 -7.375 13.117 1.00 0.00 O ATOM 0 H GLY A 23 3.128 -4.739 10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.500 -4.977 12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.865 -6.600 12.325 1.00 0.00 H new ATOM 334 N ALA A 24 6.023 -5.972 11.599 1.00 0.00 N ATOM 335 CA ALA A 24 7.389 -6.435 11.809 1.00 0.00 C ATOM 336 C ALA A 24 8.283 -5.304 12.305 1.00 0.00 C ATOM 337 O ALA A 24 7.848 -4.156 12.409 1.00 0.00 O ATOM 338 CB ALA A 24 7.949 -7.027 10.524 1.00 0.00 C ATOM 0 H ALA A 24 5.930 -5.235 10.899 1.00 0.00 H new ATOM 0 HA ALA A 24 7.369 -7.210 12.575 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.970 -7.369 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.332 -7.870 10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.947 -6.267 9.742 1.00 0.00 H new ATOM 344 N ASP A 25 9.533 -5.634 12.611 1.00 0.00 N ATOM 345 CA ASP A 25 10.488 -4.645 13.096 1.00 0.00 C ATOM 346 C ASP A 25 11.523 -4.317 12.024 1.00 0.00 C ATOM 347 O ASP A 25 11.791 -5.111 11.122 1.00 0.00 O ATOM 348 CB ASP A 25 11.186 -5.155 14.357 1.00 0.00 C ATOM 349 CG ASP A 25 11.314 -6.665 14.378 1.00 0.00 C ATOM 350 OD1 ASP A 25 10.269 -7.349 14.417 1.00 0.00 O ATOM 351 OD2 ASP A 25 12.458 -7.164 14.354 1.00 0.00 O ATOM 0 H ASP A 25 9.908 -6.579 12.532 1.00 0.00 H new ATOM 0 HA ASP A 25 9.940 -3.734 13.337 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.178 -4.708 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.628 -4.828 15.235 1.00 0.00 H new ATOM 356 N PRO A 26 12.118 -3.119 12.122 1.00 0.00 N ATOM 357 CA PRO A 26 13.132 -2.658 11.169 1.00 0.00 C ATOM 358 C PRO A 26 14.441 -3.428 11.299 1.00 0.00 C ATOM 359 O PRO A 26 15.381 -3.205 10.536 1.00 0.00 O ATOM 360 CB PRO A 26 13.335 -1.189 11.550 1.00 0.00 C ATOM 361 CG PRO A 26 12.946 -1.113 12.986 1.00 0.00 C ATOM 362 CD PRO A 26 11.846 -2.121 13.171 1.00 0.00 C ATOM 0 HA PRO A 26 12.817 -2.805 10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.370 -0.881 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.718 -0.532 10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.794 -1.338 13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.605 -0.111 13.245 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.872 -2.566 14.166 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.862 -1.669 13.050 1.00 0.00 H new ATOM 370 N SER A 27 14.496 -4.335 12.269 1.00 0.00 N ATOM 371 CA SER A 27 15.692 -5.136 12.500 1.00 0.00 C ATOM 372 C SER A 27 15.368 -6.626 12.441 1.00 0.00 C ATOM 373 O SER A 27 16.231 -7.470 12.682 1.00 0.00 O ATOM 374 CB SER A 27 16.309 -4.790 13.857 1.00 0.00 C ATOM 375 OG SER A 27 17.198 -3.692 13.747 1.00 0.00 O ATOM 0 H SER A 27 13.726 -4.533 12.908 1.00 0.00 H new ATOM 0 HA SER A 27 16.410 -4.907 11.713 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.519 -4.553 14.569 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.842 -5.656 14.249 1.00 0.00 H new ATOM 0 HG SER A 27 17.578 -3.489 14.627 1.00 0.00 H new ATOM 381 N ALA A 28 14.117 -6.941 12.120 1.00 0.00 N ATOM 382 CA ALA A 28 13.678 -8.327 12.028 1.00 0.00 C ATOM 383 C ALA A 28 14.509 -9.100 11.009 1.00 0.00 C ATOM 384 O ALA A 28 15.256 -8.510 10.229 1.00 0.00 O ATOM 385 CB ALA A 28 12.202 -8.391 11.664 1.00 0.00 C ATOM 0 H ALA A 28 13.390 -6.254 11.919 1.00 0.00 H new ATOM 0 HA ALA A 28 13.821 -8.792 13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.888 -9.433 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.616 -7.883 12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.043 -7.903 10.702 1.00 0.00 H new ATOM 391 N ASN A 29 14.375 -10.422 11.022 1.00 0.00 N ATOM 392 CA ASN A 29 15.115 -11.275 10.100 1.00 0.00 C ATOM 393 C ASN A 29 14.253 -11.656 8.901 1.00 0.00 C ATOM 394 O ASN A 29 13.028 -11.729 9.002 1.00 0.00 O ATOM 395 CB ASN A 29 15.600 -12.537 10.816 1.00 0.00 C ATOM 396 CG ASN A 29 16.473 -12.222 12.015 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.646 -11.879 11.870 1.00 0.00 O ATOM 398 ND2 ASN A 29 15.902 -12.338 13.209 1.00 0.00 N ATOM 0 H ASN A 29 13.760 -10.926 11.661 1.00 0.00 H new ATOM 0 HA ASN A 29 15.979 -10.715 9.741 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.739 -13.121 11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.160 -13.157 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.440 -12.139 14.053 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.926 -12.626 13.282 1.00 0.00 H new ATOM 405 N MET A 30 14.900 -11.899 7.766 1.00 0.00 N ATOM 406 CA MET A 30 14.192 -12.275 6.548 1.00 0.00 C ATOM 407 C MET A 30 13.102 -13.299 6.847 1.00 0.00 C ATOM 408 O MET A 30 11.945 -13.116 6.468 1.00 0.00 O ATOM 409 CB MET A 30 15.171 -12.842 5.517 1.00 0.00 C ATOM 410 CG MET A 30 14.751 -12.592 4.078 1.00 0.00 C ATOM 411 SD MET A 30 15.396 -11.041 3.425 1.00 0.00 S ATOM 412 CE MET A 30 13.876 -10.197 2.993 1.00 0.00 C ATOM 0 H MET A 30 15.913 -11.842 7.664 1.00 0.00 H new ATOM 0 HA MET A 30 13.723 -11.380 6.139 1.00 0.00 H new ATOM 0 HB2 MET A 30 16.154 -12.402 5.681 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.272 -13.916 5.676 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.097 -13.416 3.454 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.663 -12.582 4.018 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.110 -9.218 2.574 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.329 -10.786 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.263 -10.072 3.885 1.00 0.00 H new ATOM 422 N SER A 31 13.479 -14.376 7.528 1.00 0.00 N ATOM 423 CA SER A 31 12.533 -15.431 7.874 1.00 0.00 C ATOM 424 C SER A 31 11.311 -14.855 8.582 1.00 0.00 C ATOM 425 O SER A 31 10.173 -15.126 8.199 1.00 0.00 O ATOM 426 CB SER A 31 13.207 -16.477 8.765 1.00 0.00 C ATOM 427 OG SER A 31 12.369 -17.605 8.949 1.00 0.00 O ATOM 0 H SER A 31 14.432 -14.541 7.851 1.00 0.00 H new ATOM 0 HA SER A 31 12.205 -15.908 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.150 -16.789 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.446 -16.036 9.733 1.00 0.00 H new ATOM 0 HG SER A 31 12.822 -18.260 9.520 1.00 0.00 H new ATOM 433 N ASP A 32 11.555 -14.058 9.616 1.00 0.00 N ATOM 434 CA ASP A 32 10.476 -13.441 10.378 1.00 0.00 C ATOM 435 C ASP A 32 9.527 -12.680 9.458 1.00 0.00 C ATOM 436 O ASP A 32 8.358 -13.042 9.317 1.00 0.00 O ATOM 437 CB ASP A 32 11.046 -12.496 11.437 1.00 0.00 C ATOM 438 CG ASP A 32 11.340 -13.202 12.745 1.00 0.00 C ATOM 439 OD1 ASP A 32 10.424 -13.296 13.588 1.00 0.00 O ATOM 440 OD2 ASP A 32 12.488 -13.661 12.927 1.00 0.00 O ATOM 0 H ASP A 32 12.491 -13.824 9.946 1.00 0.00 H new ATOM 0 HA ASP A 32 9.915 -14.234 10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.962 -12.042 11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.339 -11.686 11.616 1.00 0.00 H new ATOM 445 N LEU A 33 10.036 -11.624 8.833 1.00 0.00 N ATOM 446 CA LEU A 33 9.233 -10.811 7.926 1.00 0.00 C ATOM 447 C LEU A 33 8.328 -11.687 7.066 1.00 0.00 C ATOM 448 O LEU A 33 7.103 -11.600 7.147 1.00 0.00 O ATOM 449 CB LEU A 33 10.140 -9.962 7.033 1.00 0.00 C ATOM 450 CG LEU A 33 10.908 -8.838 7.730 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.024 -8.321 6.837 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.964 -7.709 8.117 1.00 0.00 C ATOM 0 H LEU A 33 11.001 -11.311 8.938 1.00 0.00 H new ATOM 0 HA LEU A 33 8.605 -10.153 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.861 -10.622 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.530 -9.523 6.243 1.00 0.00 H new ATOM 0 HG LEU A 33 11.356 -9.238 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.559 -7.522 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.715 -9.133 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.599 -7.937 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.527 -6.918 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.488 -7.310 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.200 -8.090 8.795 1.00 0.00 H new ATOM 464 N LYS A 34 8.940 -12.532 6.243 1.00 0.00 N ATOM 465 CA LYS A 34 8.191 -13.427 5.370 1.00 0.00 C ATOM 466 C LYS A 34 7.055 -14.105 6.130 1.00 0.00 C ATOM 467 O LYS A 34 5.888 -13.975 5.764 1.00 0.00 O ATOM 468 CB LYS A 34 9.121 -14.485 4.771 1.00 0.00 C ATOM 469 CG LYS A 34 8.461 -15.341 3.704 1.00 0.00 C ATOM 470 CD LYS A 34 9.448 -16.313 3.080 1.00 0.00 C ATOM 471 CE LYS A 34 10.204 -15.675 1.924 1.00 0.00 C ATOM 472 NZ LYS A 34 11.525 -16.325 1.699 1.00 0.00 N ATOM 0 H LYS A 34 9.953 -12.615 6.163 1.00 0.00 H new ATOM 0 HA LYS A 34 7.761 -12.832 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.991 -13.990 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.485 -15.131 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.631 -15.895 4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.042 -14.699 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.156 -16.650 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.916 -17.196 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.605 -15.745 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.351 -14.614 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.009 -15.862 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.106 -16.236 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.384 -17.332 1.479 1.00 0.00 H new ATOM 486 N GLN A 35 7.406 -14.826 7.190 1.00 0.00 N ATOM 487 CA GLN A 35 6.416 -15.523 8.002 1.00 0.00 C ATOM 488 C GLN A 35 5.208 -14.631 8.271 1.00 0.00 C ATOM 489 O GLN A 35 4.062 -15.069 8.161 1.00 0.00 O ATOM 490 CB GLN A 35 7.036 -15.975 9.325 1.00 0.00 C ATOM 491 CG GLN A 35 7.839 -17.261 9.212 1.00 0.00 C ATOM 492 CD GLN A 35 6.965 -18.499 9.236 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.902 -19.247 8.260 1.00 0.00 O ATOM 494 NE2 GLN A 35 6.284 -18.722 10.355 1.00 0.00 N ATOM 0 H GLN A 35 8.369 -14.943 7.506 1.00 0.00 H new ATOM 0 HA GLN A 35 6.081 -16.400 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.684 -15.184 9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.243 -16.115 10.059 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.415 -17.245 8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.555 -17.311 10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.366 -18.075 11.140 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.679 -19.540 10.429 1.00 0.00 H new ATOM 503 N LYS A 36 5.471 -13.378 8.624 1.00 0.00 N ATOM 504 CA LYS A 36 4.407 -12.423 8.908 1.00 0.00 C ATOM 505 C LYS A 36 3.644 -12.064 7.637 1.00 0.00 C ATOM 506 O LYS A 36 2.418 -12.166 7.588 1.00 0.00 O ATOM 507 CB LYS A 36 4.986 -11.156 9.542 1.00 0.00 C ATOM 508 CG LYS A 36 5.181 -11.263 11.045 1.00 0.00 C ATOM 509 CD LYS A 36 6.534 -11.863 11.391 1.00 0.00 C ATOM 510 CE LYS A 36 6.987 -11.451 12.783 1.00 0.00 C ATOM 511 NZ LYS A 36 6.476 -12.379 13.830 1.00 0.00 N ATOM 0 H LYS A 36 6.413 -13.000 8.720 1.00 0.00 H new ATOM 0 HA LYS A 36 3.713 -12.888 9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.945 -10.931 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.323 -10.317 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.095 -10.274 11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.389 -11.878 11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.477 -12.950 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.274 -11.543 10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.076 -11.428 12.818 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.640 -10.439 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.807 -12.064 14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.436 -12.382 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.828 -13.340 13.644 1.00 0.00 H new ATOM 525 N TYR A 37 4.376 -11.646 6.611 1.00 0.00 N ATOM 526 CA TYR A 37 3.768 -11.272 5.340 1.00 0.00 C ATOM 527 C TYR A 37 2.806 -12.353 4.857 1.00 0.00 C ATOM 528 O TYR A 37 1.643 -12.077 4.565 1.00 0.00 O ATOM 529 CB TYR A 37 4.849 -11.027 4.286 1.00 0.00 C ATOM 530 CG TYR A 37 4.324 -11.032 2.868 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.739 -9.897 2.319 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.411 -12.171 2.077 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.257 -9.897 1.024 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.934 -12.179 0.781 1.00 0.00 C ATOM 535 CZ TYR A 37 3.357 -11.040 0.259 1.00 0.00 C ATOM 536 OH TYR A 37 2.879 -11.044 -1.031 1.00 0.00 O ATOM 0 H TYR A 37 5.392 -11.558 6.635 1.00 0.00 H new ATOM 0 HA TYR A 37 3.204 -10.352 5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.327 -10.068 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.619 -11.793 4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.660 -9.000 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.860 -13.066 2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.804 -9.007 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.012 -13.072 0.179 1.00 0.00 H new ATOM 0 HH TYR A 37 3.028 -11.926 -1.432 1.00 0.00 H new ATOM 546 N GLN A 38 3.301 -13.583 4.777 1.00 0.00 N ATOM 547 CA GLN A 38 2.486 -14.706 4.329 1.00 0.00 C ATOM 548 C GLN A 38 1.216 -14.824 5.165 1.00 0.00 C ATOM 549 O GLN A 38 0.136 -15.097 4.639 1.00 0.00 O ATOM 550 CB GLN A 38 3.285 -16.008 4.410 1.00 0.00 C ATOM 551 CG GLN A 38 4.325 -16.152 3.310 1.00 0.00 C ATOM 552 CD GLN A 38 4.586 -17.598 2.939 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.653 -18.374 2.727 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.858 -17.969 2.856 1.00 0.00 N ATOM 0 H GLN A 38 4.262 -13.828 5.016 1.00 0.00 H new ATOM 0 HA GLN A 38 2.202 -14.525 3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.783 -16.060 5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.596 -16.851 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.991 -15.609 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.258 -15.690 3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.599 -17.293 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.094 -18.930 2.608 1.00 0.00 H new ATOM 563 N LYS A 39 1.351 -14.616 6.470 1.00 0.00 N ATOM 564 CA LYS A 39 0.214 -14.697 7.380 1.00 0.00 C ATOM 565 C LYS A 39 -0.740 -13.527 7.165 1.00 0.00 C ATOM 566 O LYS A 39 -1.884 -13.554 7.620 1.00 0.00 O ATOM 567 CB LYS A 39 0.697 -14.715 8.832 1.00 0.00 C ATOM 568 CG LYS A 39 -0.242 -14.008 9.794 1.00 0.00 C ATOM 569 CD LYS A 39 0.080 -14.349 11.240 1.00 0.00 C ATOM 570 CE LYS A 39 -1.112 -14.100 12.151 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.931 -14.732 13.487 1.00 0.00 N ATOM 0 H LYS A 39 2.237 -14.390 6.922 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.322 -15.623 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.820 -15.750 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.679 -14.246 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.169 -12.930 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.271 -14.291 9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.380 -15.394 11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.927 -13.751 11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.257 -13.027 12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.015 -14.492 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.765 -14.539 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.818 -15.759 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.084 -14.339 13.945 1.00 0.00 H new ATOM 585 N LEU A 40 -0.264 -12.502 6.467 1.00 0.00 N ATOM 586 CA LEU A 40 -1.076 -11.322 6.190 1.00 0.00 C ATOM 587 C LEU A 40 -1.538 -11.309 4.736 1.00 0.00 C ATOM 588 O LEU A 40 -2.099 -10.321 4.262 1.00 0.00 O ATOM 589 CB LEU A 40 -0.284 -10.050 6.497 1.00 0.00 C ATOM 590 CG LEU A 40 0.110 -9.842 7.959 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.210 -8.797 8.072 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.101 -9.434 8.785 1.00 0.00 C ATOM 0 H LEU A 40 0.680 -12.464 6.082 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.956 -11.358 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.624 -10.057 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.874 -9.192 6.175 1.00 0.00 H new ATOM 0 HG LEU A 40 0.491 -10.785 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.478 -8.662 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.086 -9.129 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.856 -7.851 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.802 -9.290 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.512 -8.503 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.859 -10.216 8.731 1.00 0.00 H new ATOM 604 N ILE A 41 -1.300 -12.412 4.035 1.00 0.00 N ATOM 605 CA ILE A 41 -1.695 -12.528 2.637 1.00 0.00 C ATOM 606 C ILE A 41 -2.956 -13.374 2.490 1.00 0.00 C ATOM 607 O ILE A 41 -3.664 -13.283 1.487 1.00 0.00 O ATOM 608 CB ILE A 41 -0.572 -13.148 1.784 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.551 -12.133 1.566 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.124 -13.630 0.451 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.163 -10.987 0.658 1.00 0.00 C ATOM 0 H ILE A 41 -0.836 -13.238 4.412 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.895 -11.517 2.281 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.162 -14.006 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.860 -11.732 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.415 -12.645 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.318 -14.065 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.893 -14.382 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.557 -12.788 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.008 -10.307 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.118 -11.377 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.681 -10.450 1.090 1.00 0.00 H new ATOM 623 N LEU A 42 -3.230 -14.196 3.497 1.00 0.00 N ATOM 624 CA LEU A 42 -4.407 -15.058 3.481 1.00 0.00 C ATOM 625 C LEU A 42 -5.488 -14.520 4.414 1.00 0.00 C ATOM 626 O LEU A 42 -6.583 -15.079 4.500 1.00 0.00 O ATOM 627 CB LEU A 42 -4.027 -16.482 3.890 1.00 0.00 C ATOM 628 CG LEU A 42 -2.820 -16.613 4.820 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.176 -16.153 6.225 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.315 -18.048 4.839 1.00 0.00 C ATOM 0 H LEU A 42 -2.654 -14.284 4.334 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.803 -15.072 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.887 -16.941 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.828 -17.058 2.986 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.023 -15.973 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.305 -16.254 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.489 -15.109 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.989 -16.766 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.456 -18.123 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.107 -18.708 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.019 -18.343 3.832 1.00 0.00 H new ATOM 642 N LEU A 43 -5.175 -13.433 5.109 1.00 0.00 N ATOM 643 CA LEU A 43 -6.120 -12.817 6.034 1.00 0.00 C ATOM 644 C LEU A 43 -6.997 -11.795 5.318 1.00 0.00 C ATOM 645 O LEU A 43 -8.099 -11.484 5.768 1.00 0.00 O ATOM 646 CB LEU A 43 -5.371 -12.145 7.187 1.00 0.00 C ATOM 647 CG LEU A 43 -4.894 -13.070 8.307 1.00 0.00 C ATOM 648 CD1 LEU A 43 -3.869 -12.364 9.182 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.072 -13.549 9.143 1.00 0.00 C ATOM 0 H LEU A 43 -4.274 -12.959 5.050 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.762 -13.602 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.504 -11.626 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.021 -11.386 7.622 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.418 -13.940 7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.541 -13.038 9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.012 -12.072 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.319 -11.476 9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.713 -14.206 9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.577 -12.690 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.771 -14.094 8.508 1.00 0.00 H new ATOM 661 N TYR A 44 -6.500 -11.279 4.200 1.00 0.00 N ATOM 662 CA TYR A 44 -7.238 -10.292 3.420 1.00 0.00 C ATOM 663 C TYR A 44 -7.422 -10.761 1.980 1.00 0.00 C ATOM 664 O TYR A 44 -8.031 -10.070 1.163 1.00 0.00 O ATOM 665 CB TYR A 44 -6.510 -8.947 3.441 1.00 0.00 C ATOM 666 CG TYR A 44 -6.326 -8.378 4.830 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.300 -7.572 5.406 1.00 0.00 C ATOM 668 CD2 TYR A 44 -5.178 -8.647 5.566 1.00 0.00 C ATOM 669 CE1 TYR A 44 -7.136 -7.050 6.675 1.00 0.00 C ATOM 670 CE2 TYR A 44 -5.007 -8.130 6.835 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.989 -7.333 7.385 1.00 0.00 C ATOM 672 OH TYR A 44 -5.821 -6.815 8.649 1.00 0.00 O ATOM 0 H TYR A 44 -5.589 -11.527 3.813 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.223 -10.172 3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.532 -9.066 2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.068 -8.232 2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.200 -7.350 4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.407 -9.271 5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.902 -6.424 7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.109 -8.349 7.394 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.960 -7.111 9.012 1.00 0.00 H new ATOM 682 N HIS A 45 -6.892 -11.942 1.678 1.00 0.00 N ATOM 683 CA HIS A 45 -6.998 -12.506 0.337 1.00 0.00 C ATOM 684 C HIS A 45 -8.442 -12.474 -0.154 1.00 0.00 C ATOM 685 O HIS A 45 -9.384 -12.728 0.597 1.00 0.00 O ATOM 686 CB HIS A 45 -6.474 -13.943 0.322 1.00 0.00 C ATOM 687 CG HIS A 45 -5.957 -14.378 -1.014 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.750 -14.980 -1.968 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.719 -14.295 -1.554 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.022 -15.249 -3.037 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.785 -14.843 -2.811 1.00 0.00 N ATOM 0 H HIS A 45 -6.385 -12.526 2.343 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.391 -11.899 -0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.677 -14.038 1.059 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.274 -14.616 0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.842 -13.876 -1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.377 -15.720 -3.941 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.006 -14.924 -3.464 1.00 0.00 H new ATOM 700 N PRO A 46 -8.623 -12.153 -1.443 1.00 0.00 N ATOM 701 CA PRO A 46 -9.950 -12.080 -2.063 1.00 0.00 C ATOM 702 C PRO A 46 -10.596 -13.453 -2.212 1.00 0.00 C ATOM 703 O PRO A 46 -11.784 -13.623 -1.934 1.00 0.00 O ATOM 704 CB PRO A 46 -9.666 -11.470 -3.438 1.00 0.00 C ATOM 705 CG PRO A 46 -8.249 -11.828 -3.726 1.00 0.00 C ATOM 706 CD PRO A 46 -7.546 -11.838 -2.397 1.00 0.00 C ATOM 0 HA PRO A 46 -10.650 -11.501 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.338 -11.873 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.807 -10.389 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.183 -12.803 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.794 -11.105 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.752 -12.585 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.085 -10.875 -2.179 1.00 0.00 H new ATOM 714 N ASP A 47 -9.809 -14.428 -2.651 1.00 0.00 N ATOM 715 CA ASP A 47 -10.305 -15.787 -2.835 1.00 0.00 C ATOM 716 C ASP A 47 -10.656 -16.424 -1.494 1.00 0.00 C ATOM 717 O ASP A 47 -11.716 -17.031 -1.341 1.00 0.00 O ATOM 718 CB ASP A 47 -9.262 -16.639 -3.561 1.00 0.00 C ATOM 719 CG ASP A 47 -9.866 -17.876 -4.196 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.843 -18.415 -3.634 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.362 -18.306 -5.254 1.00 0.00 O ATOM 0 H ASP A 47 -8.824 -14.303 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.210 -15.738 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.778 -16.038 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.486 -16.938 -2.856 1.00 0.00 H new ATOM 726 N LYS A 48 -9.758 -16.283 -0.525 1.00 0.00 N ATOM 727 CA LYS A 48 -9.971 -16.844 0.804 1.00 0.00 C ATOM 728 C LYS A 48 -11.298 -16.370 1.388 1.00 0.00 C ATOM 729 O LYS A 48 -11.893 -17.045 2.227 1.00 0.00 O ATOM 730 CB LYS A 48 -8.822 -16.453 1.736 1.00 0.00 C ATOM 731 CG LYS A 48 -7.460 -16.917 1.250 1.00 0.00 C ATOM 732 CD LYS A 48 -7.142 -18.320 1.740 1.00 0.00 C ATOM 733 CE LYS A 48 -5.920 -18.892 1.038 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.850 -20.374 1.165 1.00 0.00 N ATOM 0 H LYS A 48 -8.875 -15.785 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.002 -17.930 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.809 -15.369 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.008 -16.873 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.435 -16.897 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.693 -16.226 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.969 -18.300 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.000 -18.970 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.946 -18.619 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.018 -18.448 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.003 -20.725 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.799 -20.634 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.698 -20.799 0.740 1.00 0.00 H new ATOM 748 N GLN A 49 -11.755 -15.206 0.937 1.00 0.00 N ATOM 749 CA GLN A 49 -13.012 -14.643 1.416 1.00 0.00 C ATOM 750 C GLN A 49 -14.109 -15.702 1.442 1.00 0.00 C ATOM 751 O GLN A 49 -13.918 -16.819 0.960 1.00 0.00 O ATOM 752 CB GLN A 49 -13.440 -13.471 0.530 1.00 0.00 C ATOM 753 CG GLN A 49 -12.426 -12.339 0.486 1.00 0.00 C ATOM 754 CD GLN A 49 -12.110 -11.785 1.861 1.00 0.00 C ATOM 755 OE1 GLN A 49 -11.139 -12.391 2.535 1.00 0.00 O flip ATOM 756 NE2 GLN A 49 -12.731 -10.823 2.314 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.274 -14.635 0.242 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.855 -14.284 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.609 -13.835 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.391 -13.081 0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.507 -12.698 0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.809 -11.537 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.470 -10.387 1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.507 -10.462 3.241 1.00 0.00 H new ATOM 765 N SER A 50 -15.257 -15.345 2.009 1.00 0.00 N ATOM 766 CA SER A 50 -16.382 -16.267 2.102 1.00 0.00 C ATOM 767 C SER A 50 -17.673 -15.518 2.421 1.00 0.00 C ATOM 768 O SER A 50 -17.647 -14.439 3.011 1.00 0.00 O ATOM 769 CB SER A 50 -16.115 -17.326 3.174 1.00 0.00 C ATOM 770 OG SER A 50 -15.043 -18.173 2.798 1.00 0.00 O ATOM 0 H SER A 50 -15.432 -14.424 2.411 1.00 0.00 H new ATOM 0 HA SER A 50 -16.497 -16.759 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.883 -16.839 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.014 -17.921 3.334 1.00 0.00 H new ATOM 0 HG SER A 50 -14.750 -17.947 1.891 1.00 0.00 H new ATOM 776 N ALA A 51 -18.800 -16.101 2.027 1.00 0.00 N ATOM 777 CA ALA A 51 -20.101 -15.491 2.272 1.00 0.00 C ATOM 778 C ALA A 51 -20.188 -14.933 3.688 1.00 0.00 C ATOM 779 O ALA A 51 -20.945 -13.999 3.953 1.00 0.00 O ATOM 780 CB ALA A 51 -21.212 -16.502 2.032 1.00 0.00 C ATOM 0 H ALA A 51 -18.838 -16.995 1.537 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.223 -14.662 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.178 -16.032 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.171 -16.849 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.084 -17.350 2.705 1.00 0.00 H new ATOM 786 N ASP A 52 -19.410 -15.512 4.596 1.00 0.00 N ATOM 787 CA ASP A 52 -19.398 -15.073 5.986 1.00 0.00 C ATOM 788 C ASP A 52 -19.271 -13.555 6.075 1.00 0.00 C ATOM 789 O ASP A 52 -20.160 -12.876 6.588 1.00 0.00 O ATOM 790 CB ASP A 52 -18.250 -15.739 6.745 1.00 0.00 C ATOM 791 CG ASP A 52 -17.975 -15.076 8.080 1.00 0.00 C ATOM 792 OD1 ASP A 52 -18.858 -15.130 8.961 1.00 0.00 O ATOM 793 OD2 ASP A 52 -16.878 -14.501 8.243 1.00 0.00 O ATOM 0 H ASP A 52 -18.779 -16.287 4.394 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.343 -15.368 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.488 -16.790 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.348 -15.707 6.134 1.00 0.00 H new ATOM 798 N VAL A 53 -18.158 -13.030 5.573 1.00 0.00 N ATOM 799 CA VAL A 53 -17.913 -11.593 5.596 1.00 0.00 C ATOM 800 C VAL A 53 -18.919 -10.850 4.723 1.00 0.00 C ATOM 801 O VAL A 53 -19.280 -11.295 3.633 1.00 0.00 O ATOM 802 CB VAL A 53 -16.488 -11.258 5.117 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.460 -12.071 5.889 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.359 -11.502 3.621 1.00 0.00 C ATOM 0 H VAL A 53 -17.412 -13.578 5.145 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.025 -11.270 6.631 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.298 -10.202 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.459 -11.821 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.538 -11.842 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.645 -13.134 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.346 -11.260 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.569 -12.549 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.070 -10.871 3.087 1.00 0.00 H new ATOM 814 N PRO A 54 -19.383 -9.690 5.211 1.00 0.00 N ATOM 815 CA PRO A 54 -20.353 -8.860 4.491 1.00 0.00 C ATOM 816 C PRO A 54 -19.751 -8.210 3.250 1.00 0.00 C ATOM 817 O PRO A 54 -18.677 -8.600 2.792 1.00 0.00 O ATOM 818 CB PRO A 54 -20.740 -7.794 5.518 1.00 0.00 C ATOM 819 CG PRO A 54 -19.570 -7.711 6.437 1.00 0.00 C ATOM 820 CD PRO A 54 -18.996 -9.099 6.503 1.00 0.00 C ATOM 0 HA PRO A 54 -21.197 -9.445 4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.936 -6.835 5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.647 -8.073 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.832 -7.001 6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.874 -7.367 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.913 -9.081 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.404 -9.663 7.341 1.00 0.00 H new ATOM 828 N ALA A 55 -20.449 -7.217 2.709 1.00 0.00 N ATOM 829 CA ALA A 55 -19.982 -6.511 1.523 1.00 0.00 C ATOM 830 C ALA A 55 -19.133 -5.302 1.901 1.00 0.00 C ATOM 831 O ALA A 55 -18.229 -4.911 1.165 1.00 0.00 O ATOM 832 CB ALA A 55 -21.163 -6.081 0.665 1.00 0.00 C ATOM 0 H ALA A 55 -21.341 -6.883 3.074 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.358 -7.194 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.799 -5.555 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.728 -6.961 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.809 -5.419 1.241 1.00 0.00 H new ATOM 838 N GLY A 56 -19.432 -4.713 3.056 1.00 0.00 N ATOM 839 CA GLY A 56 -18.687 -3.554 3.511 1.00 0.00 C ATOM 840 C GLY A 56 -17.259 -3.894 3.888 1.00 0.00 C ATOM 841 O GLY A 56 -16.316 -3.254 3.421 1.00 0.00 O ATOM 0 H GLY A 56 -20.176 -5.018 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.682 -2.798 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.192 -3.116 4.372 1.00 0.00 H new ATOM 845 N THR A 57 -17.096 -4.904 4.737 1.00 0.00 N ATOM 846 CA THR A 57 -15.773 -5.326 5.179 1.00 0.00 C ATOM 847 C THR A 57 -14.858 -5.598 3.991 1.00 0.00 C ATOM 848 O THR A 57 -13.664 -5.300 4.034 1.00 0.00 O ATOM 849 CB THR A 57 -15.850 -6.592 6.053 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.532 -6.300 7.278 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.458 -7.125 6.356 1.00 0.00 C ATOM 0 H THR A 57 -17.865 -5.445 5.132 1.00 0.00 H new ATOM 0 HA THR A 57 -15.362 -4.509 5.772 1.00 0.00 H new ATOM 0 HB THR A 57 -16.402 -7.354 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.579 -7.110 7.828 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.537 -8.019 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.952 -7.373 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.885 -6.365 6.888 1.00 0.00 H new ATOM 859 N MET A 58 -15.424 -6.164 2.930 1.00 0.00 N ATOM 860 CA MET A 58 -14.658 -6.474 1.729 1.00 0.00 C ATOM 861 C MET A 58 -13.866 -5.257 1.260 1.00 0.00 C ATOM 862 O MET A 58 -12.655 -5.334 1.059 1.00 0.00 O ATOM 863 CB MET A 58 -15.589 -6.952 0.613 1.00 0.00 C ATOM 864 CG MET A 58 -15.825 -8.454 0.621 1.00 0.00 C ATOM 865 SD MET A 58 -14.390 -9.386 0.051 1.00 0.00 S ATOM 866 CE MET A 58 -14.009 -8.524 -1.472 1.00 0.00 C ATOM 0 H MET A 58 -16.411 -6.417 2.878 1.00 0.00 H new ATOM 0 HA MET A 58 -13.956 -7.271 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.547 -6.441 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.167 -6.664 -0.350 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.082 -8.772 1.631 1.00 0.00 H new ATOM 0 HG3 MET A 58 -16.680 -8.687 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.401 -9.165 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.935 -8.271 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.459 -7.611 -1.245 1.00 0.00 H new ATOM 876 N GLU A 59 -14.560 -4.136 1.088 1.00 0.00 N ATOM 877 CA GLU A 59 -13.920 -2.904 0.642 1.00 0.00 C ATOM 878 C GLU A 59 -12.636 -2.644 1.423 1.00 0.00 C ATOM 879 O GLU A 59 -11.602 -2.310 0.844 1.00 0.00 O ATOM 880 CB GLU A 59 -14.876 -1.720 0.801 1.00 0.00 C ATOM 881 CG GLU A 59 -14.587 -0.571 -0.150 1.00 0.00 C ATOM 882 CD GLU A 59 -15.495 0.621 0.082 1.00 0.00 C ATOM 883 OE1 GLU A 59 -16.595 0.653 -0.508 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.104 1.522 0.853 1.00 0.00 O ATOM 0 H GLU A 59 -15.564 -4.056 1.250 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.666 -3.018 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.897 -2.065 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.820 -1.354 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.549 -0.260 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.703 -0.917 -1.177 1.00 0.00 H new ATOM 891 N GLU A 60 -12.710 -2.798 2.741 1.00 0.00 N ATOM 892 CA GLU A 60 -11.554 -2.578 3.602 1.00 0.00 C ATOM 893 C GLU A 60 -10.506 -3.668 3.394 1.00 0.00 C ATOM 894 O GLU A 60 -9.326 -3.472 3.686 1.00 0.00 O ATOM 895 CB GLU A 60 -11.983 -2.541 5.071 1.00 0.00 C ATOM 896 CG GLU A 60 -13.128 -1.581 5.346 1.00 0.00 C ATOM 897 CD GLU A 60 -13.204 -1.167 6.803 1.00 0.00 C ATOM 898 OE1 GLU A 60 -12.183 -0.686 7.338 1.00 0.00 O ATOM 899 OE2 GLU A 60 -14.285 -1.324 7.408 1.00 0.00 O ATOM 0 H GLU A 60 -13.558 -3.074 3.236 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.113 -1.618 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.278 -3.544 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.127 -2.258 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.010 -0.693 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.068 -2.050 5.056 1.00 0.00 H new ATOM 906 N CYS A 61 -10.946 -4.815 2.889 1.00 0.00 N ATOM 907 CA CYS A 61 -10.047 -5.937 2.643 1.00 0.00 C ATOM 908 C CYS A 61 -9.056 -5.606 1.533 1.00 0.00 C ATOM 909 O CYS A 61 -7.883 -5.974 1.604 1.00 0.00 O ATOM 910 CB CYS A 61 -10.847 -7.186 2.274 1.00 0.00 C ATOM 911 SG CYS A 61 -10.002 -8.741 2.646 1.00 0.00 S ATOM 0 H CYS A 61 -11.920 -4.993 2.642 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.487 -6.130 3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.798 -7.165 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.077 -7.156 1.209 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.013 -8.906 1.818 1.00 0.00 H new ATOM 917 N MET A 62 -9.535 -4.910 0.507 1.00 0.00 N ATOM 918 CA MET A 62 -8.690 -4.530 -0.620 1.00 0.00 C ATOM 919 C MET A 62 -7.561 -3.610 -0.166 1.00 0.00 C ATOM 920 O MET A 62 -6.386 -3.900 -0.388 1.00 0.00 O ATOM 921 CB MET A 62 -9.524 -3.838 -1.700 1.00 0.00 C ATOM 922 CG MET A 62 -8.987 -4.043 -3.107 1.00 0.00 C ATOM 923 SD MET A 62 -8.982 -5.777 -3.602 1.00 0.00 S ATOM 924 CE MET A 62 -7.230 -6.052 -3.854 1.00 0.00 C ATOM 0 H MET A 62 -10.503 -4.598 0.433 1.00 0.00 H new ATOM 0 HA MET A 62 -8.252 -5.437 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.547 -4.211 -1.652 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.564 -2.770 -1.487 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.592 -3.470 -3.810 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.972 -3.649 -3.165 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.065 -7.084 -4.165 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.863 -5.377 -4.627 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.695 -5.863 -2.924 1.00 0.00 H new ATOM 934 N GLN A 63 -7.926 -2.501 0.469 1.00 0.00 N ATOM 935 CA GLN A 63 -6.942 -1.539 0.952 1.00 0.00 C ATOM 936 C GLN A 63 -5.805 -2.244 1.683 1.00 0.00 C ATOM 937 O GLN A 63 -4.638 -2.111 1.313 1.00 0.00 O ATOM 938 CB GLN A 63 -7.607 -0.521 1.880 1.00 0.00 C ATOM 939 CG GLN A 63 -8.675 0.318 1.198 1.00 0.00 C ATOM 940 CD GLN A 63 -8.090 1.398 0.309 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.890 1.410 0.036 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.938 2.312 -0.148 1.00 0.00 N ATOM 0 H GLN A 63 -8.895 -2.246 0.661 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.527 -1.018 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.054 -1.048 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.842 0.140 2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.315 -0.331 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.308 0.780 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.925 2.263 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.602 3.063 -0.751 1.00 0.00 H new ATOM 951 N LYS A 64 -6.151 -2.995 2.723 1.00 0.00 N ATOM 952 CA LYS A 64 -5.160 -3.723 3.506 1.00 0.00 C ATOM 953 C LYS A 64 -4.298 -4.605 2.608 1.00 0.00 C ATOM 954 O LYS A 64 -3.078 -4.452 2.558 1.00 0.00 O ATOM 955 CB LYS A 64 -5.850 -4.579 4.570 1.00 0.00 C ATOM 956 CG LYS A 64 -6.711 -3.778 5.532 1.00 0.00 C ATOM 957 CD LYS A 64 -5.871 -3.112 6.609 1.00 0.00 C ATOM 958 CE LYS A 64 -5.395 -4.117 7.646 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.188 -3.635 8.372 1.00 0.00 N ATOM 0 H LYS A 64 -7.112 -3.115 3.043 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.514 -2.995 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.471 -5.326 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.092 -5.119 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.265 -3.019 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.446 -4.435 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.010 -2.625 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.456 -2.333 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.196 -4.309 8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.170 -5.065 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.895 -4.348 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.416 -3.476 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.409 -2.744 8.860 1.00 0.00 H new ATOM 973 N PHE A 65 -4.941 -5.527 1.899 1.00 0.00 N ATOM 974 CA PHE A 65 -4.233 -6.434 1.003 1.00 0.00 C ATOM 975 C PHE A 65 -3.235 -5.672 0.136 1.00 0.00 C ATOM 976 O PHE A 65 -2.042 -5.977 0.130 1.00 0.00 O ATOM 977 CB PHE A 65 -5.226 -7.186 0.115 1.00 0.00 C ATOM 978 CG PHE A 65 -4.579 -8.204 -0.779 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.061 -9.378 -0.255 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.487 -7.988 -2.145 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.465 -10.317 -1.075 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.893 -8.924 -2.970 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.380 -10.089 -2.434 1.00 0.00 C ATOM 0 H PHE A 65 -5.951 -5.666 1.928 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.685 -7.152 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.961 -7.684 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.768 -6.467 -0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.124 -9.561 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.884 -7.078 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.066 -11.228 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.830 -8.745 -4.033 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.913 -10.820 -3.077 1.00 0.00 H new ATOM 993 N ILE A 66 -3.732 -4.679 -0.594 1.00 0.00 N ATOM 994 CA ILE A 66 -2.885 -3.873 -1.464 1.00 0.00 C ATOM 995 C ILE A 66 -1.609 -3.445 -0.747 1.00 0.00 C ATOM 996 O ILE A 66 -0.511 -3.565 -1.288 1.00 0.00 O ATOM 997 CB ILE A 66 -3.624 -2.619 -1.966 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.660 -3.000 -3.025 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.634 -1.608 -2.525 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.589 -1.865 -3.398 1.00 0.00 C ATOM 0 H ILE A 66 -4.717 -4.414 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.626 -4.498 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.144 -2.161 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.143 -3.344 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.252 -3.838 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.172 -0.727 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.931 -1.317 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.088 -2.054 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.297 -2.207 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.134 -1.535 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.007 -1.034 -3.796 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.763 -2.948 0.477 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.623 -2.503 1.269 1.00 0.00 C ATOM 1014 C GLU A 67 0.308 -3.670 1.585 1.00 0.00 C ATOM 1015 O GLU A 67 1.531 -3.537 1.520 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.100 -1.850 2.568 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.631 -0.439 2.381 1.00 0.00 C ATOM 1018 CD GLU A 67 -1.992 0.228 3.695 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -1.207 0.105 4.658 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.059 0.873 3.758 1.00 0.00 O ATOM 0 H GLU A 67 -2.666 -2.844 0.941 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.071 -1.768 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.882 -2.468 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.273 -1.827 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.881 0.162 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.511 -0.468 1.739 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.279 -4.811 1.928 1.00 0.00 N ATOM 1028 CA ILE A 68 0.497 -6.001 2.254 1.00 0.00 C ATOM 1029 C ILE A 68 1.361 -6.434 1.075 1.00 0.00 C ATOM 1030 O ILE A 68 2.536 -6.762 1.240 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.414 -7.173 2.665 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.269 -6.784 3.873 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.418 -8.408 2.974 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.575 -7.541 3.958 1.00 0.00 C ATOM 0 H ILE A 68 -1.289 -4.937 1.987 1.00 0.00 H new ATOM 0 HA ILE A 68 1.139 -5.738 3.095 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.079 -7.406 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.697 -6.959 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.480 -5.715 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.240 -9.227 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.987 -8.694 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.105 -8.189 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.129 -7.214 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.167 -7.346 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.372 -8.609 4.033 1.00 0.00 H new ATOM 1046 N ASP A 69 0.772 -6.430 -0.116 1.00 0.00 N ATOM 1047 CA ASP A 69 1.489 -6.819 -1.325 1.00 0.00 C ATOM 1048 C ASP A 69 2.585 -5.810 -1.655 1.00 0.00 C ATOM 1049 O ASP A 69 3.481 -6.092 -2.451 1.00 0.00 O ATOM 1050 CB ASP A 69 0.520 -6.941 -2.502 1.00 0.00 C ATOM 1051 CG ASP A 69 1.051 -7.842 -3.599 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.740 -7.330 -4.506 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.780 -9.060 -3.550 1.00 0.00 O ATOM 0 H ASP A 69 -0.200 -6.162 -0.270 1.00 0.00 H new ATOM 0 HA ASP A 69 1.954 -7.788 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.433 -7.331 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.325 -5.950 -2.912 1.00 0.00 H new ATOM 1058 N GLN A 70 2.506 -4.635 -1.040 1.00 0.00 N ATOM 1059 CA GLN A 70 3.490 -3.585 -1.270 1.00 0.00 C ATOM 1060 C GLN A 70 4.605 -3.646 -0.232 1.00 0.00 C ATOM 1061 O GLN A 70 5.768 -3.384 -0.539 1.00 0.00 O ATOM 1062 CB GLN A 70 2.819 -2.211 -1.235 1.00 0.00 C ATOM 1063 CG GLN A 70 2.114 -1.844 -2.532 1.00 0.00 C ATOM 1064 CD GLN A 70 1.307 -0.566 -2.416 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.440 0.181 -1.446 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.463 -0.307 -3.408 1.00 0.00 N ATOM 0 H GLN A 70 1.771 -4.386 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 70 3.928 -3.743 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.096 -2.190 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.571 -1.454 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.854 -1.731 -3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.454 -2.660 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.385 -0.954 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.107 0.539 -3.385 1.00 0.00 H new ATOM 1075 N ALA A 71 4.242 -3.992 0.999 1.00 0.00 N ATOM 1076 CA ALA A 71 5.212 -4.089 2.083 1.00 0.00 C ATOM 1077 C ALA A 71 6.196 -5.228 1.838 1.00 0.00 C ATOM 1078 O ALA A 71 7.194 -5.361 2.547 1.00 0.00 O ATOM 1079 CB ALA A 71 4.499 -4.281 3.413 1.00 0.00 C ATOM 0 H ALA A 71 3.283 -4.210 1.270 1.00 0.00 H new ATOM 0 HA ALA A 71 5.777 -3.157 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.235 -4.352 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.841 -3.432 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.909 -5.197 3.381 1.00 0.00 H new ATOM 1085 N TRP A 72 5.909 -6.046 0.832 1.00 0.00 N ATOM 1086 CA TRP A 72 6.770 -7.174 0.496 1.00 0.00 C ATOM 1087 C TRP A 72 7.711 -6.818 -0.650 1.00 0.00 C ATOM 1088 O TRP A 72 8.795 -7.387 -0.776 1.00 0.00 O ATOM 1089 CB TRP A 72 5.925 -8.392 0.118 1.00 0.00 C ATOM 1090 CG TRP A 72 6.729 -9.646 -0.042 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.795 -10.441 -1.151 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.579 -10.250 0.938 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.636 -11.503 -0.918 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.130 -11.409 0.356 1.00 0.00 C ATOM 1095 CE3 TRP A 72 7.931 -9.924 2.251 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.011 -12.240 1.042 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.805 -10.751 2.931 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.338 -11.897 2.326 1.00 0.00 C ATOM 0 H TRP A 72 5.087 -5.950 0.235 1.00 0.00 H new ATOM 0 HA TRP A 72 7.370 -7.415 1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.166 -8.551 0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.399 -8.185 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.265 -10.262 -2.075 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.857 -12.242 -1.586 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.527 -9.042 2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.422 -13.124 0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.082 -10.510 3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.020 -12.522 2.884 1.00 0.00 H new ATOM 1109 N LYS A 73 7.290 -5.873 -1.484 1.00 0.00 N ATOM 1110 CA LYS A 73 8.096 -5.439 -2.619 1.00 0.00 C ATOM 1111 C LYS A 73 9.364 -4.736 -2.148 1.00 0.00 C ATOM 1112 O LYS A 73 10.333 -4.615 -2.899 1.00 0.00 O ATOM 1113 CB LYS A 73 7.285 -4.504 -3.518 1.00 0.00 C ATOM 1114 CG LYS A 73 6.350 -5.232 -4.468 1.00 0.00 C ATOM 1115 CD LYS A 73 5.453 -4.263 -5.221 1.00 0.00 C ATOM 1116 CE LYS A 73 4.604 -4.981 -6.258 1.00 0.00 C ATOM 1117 NZ LYS A 73 3.663 -4.052 -6.944 1.00 0.00 N ATOM 0 H LYS A 73 6.395 -5.393 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 73 8.382 -6.323 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.700 -3.829 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.971 -3.887 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.935 -5.815 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.736 -5.936 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.805 -3.742 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.064 -3.505 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.253 -5.451 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.040 -5.779 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.102 -4.580 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.026 -3.622 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.202 -3.305 -7.426 1.00 0.00 H new ATOM 1131 N ILE A 74 9.352 -4.275 -0.902 1.00 0.00 N ATOM 1132 CA ILE A 74 10.503 -3.586 -0.332 1.00 0.00 C ATOM 1133 C ILE A 74 11.206 -4.455 0.706 1.00 0.00 C ATOM 1134 O ILE A 74 12.431 -4.583 0.698 1.00 0.00 O ATOM 1135 CB ILE A 74 10.094 -2.253 0.323 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.784 -1.207 -0.749 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.195 -1.759 1.250 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.425 -1.384 -1.391 1.00 0.00 C ATOM 0 H ILE A 74 8.558 -4.366 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 74 11.188 -3.382 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 74 9.194 -2.417 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.840 -0.214 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.551 -1.253 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.892 -0.816 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.372 -2.499 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.111 -1.608 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.273 -0.608 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.372 -2.363 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.650 -1.309 -0.628 1.00 0.00 H new ATOM 1150 N LEU A 75 10.422 -5.053 1.596 1.00 0.00 N ATOM 1151 CA LEU A 75 10.968 -5.913 2.641 1.00 0.00 C ATOM 1152 C LEU A 75 10.968 -7.373 2.199 1.00 0.00 C ATOM 1153 O LEU A 75 10.913 -8.282 3.025 1.00 0.00 O ATOM 1154 CB LEU A 75 10.160 -5.758 3.930 1.00 0.00 C ATOM 1155 CG LEU A 75 9.925 -4.325 4.408 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.040 -4.313 5.645 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.250 -3.633 4.690 1.00 0.00 C ATOM 0 H LEU A 75 9.407 -4.959 1.615 1.00 0.00 H new ATOM 0 HA LEU A 75 11.998 -5.609 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.191 -6.235 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.670 -6.305 4.723 1.00 0.00 H new ATOM 0 HG LEU A 75 9.414 -3.777 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.884 -3.285 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.078 -4.769 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.523 -4.877 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.063 -2.614 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.789 -4.180 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.849 -3.608 3.779 1.00 0.00 H new ATOM 1169 N GLY A 76 11.034 -7.589 0.888 1.00 0.00 N ATOM 1170 CA GLY A 76 11.043 -8.940 0.359 1.00 0.00 C ATOM 1171 C GLY A 76 12.320 -9.261 -0.392 1.00 0.00 C ATOM 1172 O GLY A 76 12.725 -10.419 -0.474 1.00 0.00 O ATOM 0 H GLY A 76 11.081 -6.853 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.919 -9.648 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.191 -9.071 -0.307 1.00 0.00 H new ATOM 1176 N ASN A 77 12.954 -8.231 -0.943 1.00 0.00 N ATOM 1177 CA ASN A 77 14.192 -8.409 -1.693 1.00 0.00 C ATOM 1178 C ASN A 77 15.392 -7.925 -0.885 1.00 0.00 C ATOM 1179 O ASN A 77 15.458 -6.762 -0.490 1.00 0.00 O ATOM 1180 CB ASN A 77 14.120 -7.655 -3.022 1.00 0.00 C ATOM 1181 CG ASN A 77 14.986 -8.288 -4.094 1.00 0.00 C ATOM 1182 OD1 ASN A 77 15.780 -9.187 -3.816 1.00 0.00 O ATOM 1183 ND2 ASN A 77 14.836 -7.821 -5.328 1.00 0.00 N ATOM 0 H ASN A 77 12.631 -7.265 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 77 14.317 -9.473 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.086 -7.626 -3.365 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.434 -6.623 -2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.391 -8.209 -6.091 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.166 -7.075 -5.513 1.00 0.00 H new ATOM 1190 N GLU A 78 16.340 -8.827 -0.645 1.00 0.00 N ATOM 1191 CA GLU A 78 17.538 -8.491 0.115 1.00 0.00 C ATOM 1192 C GLU A 78 18.090 -7.133 -0.311 1.00 0.00 C ATOM 1193 O GLU A 78 18.616 -6.382 0.509 1.00 0.00 O ATOM 1194 CB GLU A 78 18.606 -9.570 -0.071 1.00 0.00 C ATOM 1195 CG GLU A 78 18.415 -10.778 0.831 1.00 0.00 C ATOM 1196 CD GLU A 78 19.713 -11.514 1.102 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.204 -12.206 0.185 1.00 0.00 O ATOM 1198 OE2 GLU A 78 20.236 -11.400 2.230 1.00 0.00 O ATOM 0 H GLU A 78 16.301 -9.794 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 78 17.266 -8.438 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.601 -9.899 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.587 -9.135 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.980 -10.455 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.703 -11.462 0.370 1.00 0.00 H new ATOM 1205 N GLU A 79 17.966 -6.829 -1.599 1.00 0.00 N ATOM 1206 CA GLU A 79 18.454 -5.563 -2.134 1.00 0.00 C ATOM 1207 C GLU A 79 17.640 -4.392 -1.591 1.00 0.00 C ATOM 1208 O GLU A 79 18.166 -3.525 -0.892 1.00 0.00 O ATOM 1209 CB GLU A 79 18.396 -5.574 -3.663 1.00 0.00 C ATOM 1210 CG GLU A 79 19.042 -6.798 -4.288 1.00 0.00 C ATOM 1211 CD GLU A 79 20.502 -6.947 -3.905 1.00 0.00 C ATOM 1212 OE1 GLU A 79 21.352 -6.287 -4.538 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.793 -7.725 -2.972 1.00 0.00 O ATOM 0 H GLU A 79 17.533 -7.441 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 79 19.490 -5.440 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.354 -5.522 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.889 -4.679 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.496 -7.690 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.960 -6.734 -5.373 1.00 0.00 H new ATOM 1220 N THR A 80 16.351 -4.373 -1.918 1.00 0.00 N ATOM 1221 CA THR A 80 15.464 -3.310 -1.465 1.00 0.00 C ATOM 1222 C THR A 80 15.473 -3.195 0.055 1.00 0.00 C ATOM 1223 O THR A 80 15.852 -2.163 0.608 1.00 0.00 O ATOM 1224 CB THR A 80 14.018 -3.544 -1.942 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.556 -4.825 -1.498 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.929 -3.465 -3.459 1.00 0.00 C ATOM 0 H THR A 80 15.899 -5.082 -2.495 1.00 0.00 H new ATOM 0 HA THR A 80 15.837 -2.382 -1.898 1.00 0.00 H new ATOM 0 HB THR A 80 13.388 -2.764 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.155 -4.738 -0.608 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.899 -3.633 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.253 -2.479 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.572 -4.226 -3.901 1.00 0.00 H new ATOM 1234 N LYS A 81 15.053 -4.262 0.726 1.00 0.00 N ATOM 1235 CA LYS A 81 15.014 -4.283 2.184 1.00 0.00 C ATOM 1236 C LYS A 81 16.231 -3.575 2.771 1.00 0.00 C ATOM 1237 O LYS A 81 16.138 -2.910 3.802 1.00 0.00 O ATOM 1238 CB LYS A 81 14.955 -5.725 2.692 1.00 0.00 C ATOM 1239 CG LYS A 81 14.799 -5.833 4.199 1.00 0.00 C ATOM 1240 CD LYS A 81 16.146 -5.806 4.903 1.00 0.00 C ATOM 1241 CE LYS A 81 16.061 -6.418 6.293 1.00 0.00 C ATOM 1242 NZ LYS A 81 17.401 -6.813 6.808 1.00 0.00 N ATOM 0 H LYS A 81 14.735 -5.124 0.283 1.00 0.00 H new ATOM 0 HA LYS A 81 14.117 -3.754 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.121 -6.237 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.865 -6.245 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.182 -5.011 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.277 -6.757 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.879 -6.351 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.498 -4.777 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.605 -5.703 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.410 -7.292 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.300 -7.226 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.826 -7.515 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 18.014 -5.975 6.858 1.00 0.00 H new ATOM 1256 N LYS A 82 17.372 -3.722 2.106 1.00 0.00 N ATOM 1257 CA LYS A 82 18.608 -3.094 2.559 1.00 0.00 C ATOM 1258 C LYS A 82 18.569 -1.587 2.330 1.00 0.00 C ATOM 1259 O LYS A 82 18.850 -0.803 3.237 1.00 0.00 O ATOM 1260 CB LYS A 82 19.809 -3.700 1.830 1.00 0.00 C ATOM 1261 CG LYS A 82 21.142 -3.110 2.258 1.00 0.00 C ATOM 1262 CD LYS A 82 21.481 -1.862 1.461 1.00 0.00 C ATOM 1263 CE LYS A 82 22.985 -1.675 1.331 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.342 -0.267 1.004 1.00 0.00 N ATOM 0 H LYS A 82 17.467 -4.271 1.251 1.00 0.00 H new ATOM 0 HA LYS A 82 18.709 -3.279 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.824 -4.776 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.684 -3.553 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.109 -2.867 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.929 -3.852 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.035 -1.930 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.045 -0.989 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.469 -1.965 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.368 -2.337 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.375 -0.181 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.901 0.002 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.999 0.362 1.758 1.00 0.00 H new ATOM 1278 N LYS A 83 18.217 -1.187 1.113 1.00 0.00 N ATOM 1279 CA LYS A 83 18.138 0.227 0.765 1.00 0.00 C ATOM 1280 C LYS A 83 17.127 0.949 1.650 1.00 0.00 C ATOM 1281 O LYS A 83 17.396 2.041 2.152 1.00 0.00 O ATOM 1282 CB LYS A 83 17.752 0.390 -0.707 1.00 0.00 C ATOM 1283 CG LYS A 83 18.875 0.051 -1.672 1.00 0.00 C ATOM 1284 CD LYS A 83 18.481 0.340 -3.110 1.00 0.00 C ATOM 1285 CE LYS A 83 19.388 -0.384 -4.093 1.00 0.00 C ATOM 1286 NZ LYS A 83 20.799 0.082 -3.994 1.00 0.00 N ATOM 0 H LYS A 83 17.982 -1.822 0.351 1.00 0.00 H new ATOM 0 HA LYS A 83 19.120 0.672 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.895 -0.248 -0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.435 1.419 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.764 0.627 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.138 -1.002 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.448 0.034 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.528 1.414 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.346 -1.457 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.024 -0.225 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.381 -0.424 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 20.841 1.104 -4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.161 -0.108 -3.038 1.00 0.00 H new ATOM 1300 N TYR A 84 15.965 0.333 1.837 1.00 0.00 N ATOM 1301 CA TYR A 84 14.914 0.919 2.661 1.00 0.00 C ATOM 1302 C TYR A 84 15.472 1.396 3.998 1.00 0.00 C ATOM 1303 O TYR A 84 15.524 2.595 4.269 1.00 0.00 O ATOM 1304 CB TYR A 84 13.795 -0.098 2.895 1.00 0.00 C ATOM 1305 CG TYR A 84 12.557 0.499 3.525 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.948 1.621 2.977 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.997 -0.059 4.667 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.816 2.170 3.549 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.865 0.483 5.245 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.279 1.598 4.683 1.00 0.00 C ATOM 1311 OH TYR A 84 9.152 2.141 5.256 1.00 0.00 O ATOM 0 H TYR A 84 15.727 -0.571 1.430 1.00 0.00 H new ATOM 0 HA TYR A 84 14.508 1.780 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.524 -0.553 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.169 -0.897 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.366 2.072 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.454 -0.931 5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.354 3.042 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.441 0.036 6.132 1.00 0.00 H new ATOM 0 HH TYR A 84 8.526 2.412 4.553 1.00 0.00 H new ATOM 1321 N ASP A 85 15.888 0.447 4.830 1.00 0.00 N ATOM 1322 CA ASP A 85 16.443 0.768 6.139 1.00 0.00 C ATOM 1323 C ASP A 85 17.257 2.057 6.083 1.00 0.00 C ATOM 1324 O ASP A 85 17.092 2.946 6.919 1.00 0.00 O ATOM 1325 CB ASP A 85 17.319 -0.381 6.641 1.00 0.00 C ATOM 1326 CG ASP A 85 17.323 -0.488 8.153 1.00 0.00 C ATOM 1327 OD1 ASP A 85 17.038 0.528 8.821 1.00 0.00 O ATOM 1328 OD2 ASP A 85 17.611 -1.588 8.669 1.00 0.00 O ATOM 0 H ASP A 85 15.851 -0.551 4.621 1.00 0.00 H new ATOM 0 HA ASP A 85 15.614 0.912 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.963 -1.319 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.340 -0.237 6.287 1.00 0.00 H new ATOM 1333 N LEU A 86 18.138 2.152 5.092 1.00 0.00 N ATOM 1334 CA LEU A 86 18.979 3.332 4.927 1.00 0.00 C ATOM 1335 C LEU A 86 18.135 4.562 4.607 1.00 0.00 C ATOM 1336 O LEU A 86 18.269 5.602 5.252 1.00 0.00 O ATOM 1337 CB LEU A 86 20.004 3.100 3.815 1.00 0.00 C ATOM 1338 CG LEU A 86 21.248 2.301 4.206 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.933 2.933 5.407 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.881 0.853 4.499 1.00 0.00 C ATOM 0 H LEU A 86 18.288 1.426 4.391 1.00 0.00 H new ATOM 0 HA LEU A 86 19.504 3.508 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.508 2.583 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.324 4.070 3.435 1.00 0.00 H new ATOM 0 HG LEU A 86 21.945 2.316 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.816 2.351 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.231 3.952 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.244 2.950 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.778 0.299 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.165 0.818 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.436 0.404 3.611 1.00 0.00 H new ATOM 1352 N GLN A 87 17.266 4.434 3.610 1.00 0.00 N ATOM 1353 CA GLN A 87 16.400 5.535 3.206 1.00 0.00 C ATOM 1354 C GLN A 87 15.633 6.091 4.402 1.00 0.00 C ATOM 1355 O GLN A 87 15.577 7.304 4.606 1.00 0.00 O ATOM 1356 CB GLN A 87 15.419 5.071 2.128 1.00 0.00 C ATOM 1357 CG GLN A 87 15.956 5.218 0.713 1.00 0.00 C ATOM 1358 CD GLN A 87 16.559 6.585 0.457 1.00 0.00 C ATOM 1359 OE1 GLN A 87 17.725 6.830 0.768 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.766 7.484 -0.114 1.00 0.00 N ATOM 0 H GLN A 87 17.143 3.579 3.067 1.00 0.00 H new ATOM 0 HA GLN A 87 17.028 6.328 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.165 4.026 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.495 5.643 2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.711 4.453 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.149 5.042 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.806 7.237 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 87 16.117 8.421 -0.312 1.00 0.00 H new ATOM 1369 N ARG A 88 15.045 5.196 5.189 1.00 0.00 N ATOM 1370 CA ARG A 88 14.280 5.598 6.364 1.00 0.00 C ATOM 1371 C ARG A 88 14.960 6.758 7.084 1.00 0.00 C ATOM 1372 O ARG A 88 16.121 6.660 7.483 1.00 0.00 O ATOM 1373 CB ARG A 88 14.116 4.416 7.320 1.00 0.00 C ATOM 1374 CG ARG A 88 13.254 3.295 6.762 1.00 0.00 C ATOM 1375 CD ARG A 88 13.178 2.119 7.723 1.00 0.00 C ATOM 1376 NE ARG A 88 12.374 2.427 8.902 1.00 0.00 N ATOM 1377 CZ ARG A 88 12.855 3.037 9.980 1.00 0.00 C ATOM 1378 NH1 ARG A 88 14.128 3.403 10.026 1.00 0.00 N ATOM 1379 NH2 ARG A 88 12.060 3.282 11.015 1.00 0.00 N ATOM 0 H ARG A 88 15.083 4.188 5.035 1.00 0.00 H new ATOM 0 HA ARG A 88 13.295 5.927 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.101 4.018 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.676 4.772 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.250 3.671 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.662 2.961 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.752 1.258 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.185 1.839 8.034 1.00 0.00 H new ATOM 0 HE ARG A 88 11.390 2.159 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.741 3.217 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.494 3.871 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.080 3.002 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.430 3.750 11.842 1.00 0.00 H new