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 45 HIS : no HD1:sc= -8.04! C(o=-11!,f=-12!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 178:sc= -3.12! (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= -0.977 (180deg=-2.77!) 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= -1.24 K(o=-1.2,f=-6.2!) USER MOD Single : A 30 MET CE :methyl -156:sc= -1.75 (180deg=-3.25!) 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= -0.18 X(o=-0.18,f=-0.57) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0646 USER MOD Single : A 49 GLN : amide:sc= -0.439 K(o=-0.44,f=-2) USER MOD Single : A 50 SER OG : rot 31:sc= 0.731 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 58 MET CE :methyl -104:sc= -2.33 (180deg=-4.86) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.8 K(o=-2.8,f=-7.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.251 K(o=-0.25,f=-3.9!) USER MOD Single : A 80 THR OG1 : rot 95:sc= 0.443 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 30:sc= -0.599 USER MOD Single : A 87 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 5.863 5.523 3.165 1.00 0.00 N ATOM 200 CA LYS A 16 4.885 4.611 3.745 1.00 0.00 C ATOM 201 C LYS A 16 5.573 3.530 4.573 1.00 0.00 C ATOM 202 O LYS A 16 6.320 2.709 4.042 1.00 0.00 O ATOM 203 CB LYS A 16 4.043 3.965 2.643 1.00 0.00 C ATOM 204 CG LYS A 16 2.801 3.259 3.161 1.00 0.00 C ATOM 205 CD LYS A 16 1.679 3.282 2.137 1.00 0.00 C ATOM 206 CE LYS A 16 2.124 2.692 0.808 1.00 0.00 C ATOM 207 NZ LYS A 16 2.756 3.715 -0.070 1.00 0.00 N ATOM 0 HA LYS A 16 4.233 5.187 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.743 4.732 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.659 3.248 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.046 2.227 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.466 3.739 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.826 2.720 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.344 4.308 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.831 1.882 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.265 2.257 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.462 3.556 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.457 4.664 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.791 3.640 -0.001 1.00 0.00 H new ATOM 221 N ASP A 17 5.315 3.536 5.876 1.00 0.00 N ATOM 222 CA ASP A 17 5.907 2.554 6.778 1.00 0.00 C ATOM 223 C ASP A 17 5.508 1.138 6.376 1.00 0.00 C ATOM 224 O ASP A 17 4.329 0.848 6.176 1.00 0.00 O ATOM 225 CB ASP A 17 5.477 2.830 8.220 1.00 0.00 C ATOM 226 CG ASP A 17 5.989 4.161 8.732 1.00 0.00 C ATOM 227 OD1 ASP A 17 5.511 5.208 8.246 1.00 0.00 O ATOM 228 OD2 ASP A 17 6.867 4.157 9.620 1.00 0.00 O ATOM 0 H ASP A 17 4.700 4.210 6.332 1.00 0.00 H new ATOM 0 HA ASP A 17 6.991 2.640 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.389 2.815 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.843 2.031 8.865 1.00 0.00 H new ATOM 233 N TRP A 18 6.498 0.261 6.260 1.00 0.00 N ATOM 234 CA TRP A 18 6.250 -1.126 5.882 1.00 0.00 C ATOM 235 C TRP A 18 6.340 -2.046 7.094 1.00 0.00 C ATOM 236 O TRP A 18 5.560 -2.989 7.228 1.00 0.00 O ATOM 237 CB TRP A 18 7.251 -1.571 4.814 1.00 0.00 C ATOM 238 CG TRP A 18 7.167 -0.769 3.550 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.163 -0.027 2.983 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.024 -0.629 2.699 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.708 0.567 1.830 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.399 0.213 1.633 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.721 -1.133 2.732 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.518 0.560 0.613 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.847 -0.787 1.719 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.248 0.052 0.671 1.00 0.00 C ATOM 0 H TRP A 18 7.480 0.485 6.422 1.00 0.00 H new ATOM 0 HA TRP A 18 5.241 -1.190 5.475 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.260 -1.494 5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 18 7.080 -2.622 4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.161 0.078 3.382 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.256 1.173 1.220 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.403 -1.781 3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.825 1.207 -0.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.837 -1.170 1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.541 0.303 -0.106 1.00 0.00 H new ATOM 257 N TYR A 19 7.293 -1.765 7.975 1.00 0.00 N ATOM 258 CA TYR A 19 7.485 -2.569 9.176 1.00 0.00 C ATOM 259 C TYR A 19 6.257 -2.503 10.078 1.00 0.00 C ATOM 260 O TYR A 19 6.113 -3.294 11.010 1.00 0.00 O ATOM 261 CB TYR A 19 8.721 -2.094 9.942 1.00 0.00 C ATOM 262 CG TYR A 19 10.027 -2.500 9.297 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.324 -3.837 9.064 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.963 -1.545 8.918 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.516 -4.212 8.475 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.157 -1.911 8.328 1.00 0.00 C ATOM 267 CZ TYR A 19 12.429 -3.245 8.109 1.00 0.00 C ATOM 268 OH TYR A 19 13.617 -3.615 7.521 1.00 0.00 O ATOM 0 H TYR A 19 7.945 -0.986 7.880 1.00 0.00 H new ATOM 0 HA TYR A 19 7.632 -3.604 8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.690 -1.008 10.027 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.686 -2.494 10.955 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.611 -4.596 9.348 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.753 -0.499 9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.732 -5.256 8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.874 -1.156 8.040 1.00 0.00 H new ATOM 0 HH TYR A 19 14.147 -2.815 7.323 1.00 0.00 H new ATOM 278 N SER A 20 5.373 -1.552 9.794 1.00 0.00 N ATOM 279 CA SER A 20 4.157 -1.378 10.581 1.00 0.00 C ATOM 280 C SER A 20 2.974 -2.070 9.912 1.00 0.00 C ATOM 281 O SER A 20 2.111 -2.637 10.584 1.00 0.00 O ATOM 282 CB SER A 20 3.854 0.110 10.767 1.00 0.00 C ATOM 283 OG SER A 20 3.114 0.334 11.955 1.00 0.00 O ATOM 0 H SER A 20 5.476 -0.890 9.025 1.00 0.00 H new ATOM 0 HA SER A 20 4.317 -1.834 11.558 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.787 0.673 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.292 0.480 9.909 1.00 0.00 H new ATOM 0 HG SER A 20 2.934 1.292 12.053 1.00 0.00 H new ATOM 289 N ILE A 21 2.940 -2.020 8.584 1.00 0.00 N ATOM 290 CA ILE A 21 1.863 -2.642 7.824 1.00 0.00 C ATOM 291 C ILE A 21 1.861 -4.155 8.012 1.00 0.00 C ATOM 292 O ILE A 21 0.803 -4.779 8.106 1.00 0.00 O ATOM 293 CB ILE A 21 1.978 -2.323 6.322 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.843 -0.817 6.086 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.921 -3.085 5.536 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.224 -0.388 4.687 1.00 0.00 C ATOM 0 H ILE A 21 3.646 -1.555 8.013 1.00 0.00 H new ATOM 0 HA ILE A 21 0.929 -2.230 8.204 1.00 0.00 H new ATOM 0 HB ILE A 21 2.961 -2.640 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.813 -0.518 6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.470 -0.287 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.015 -2.849 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.060 -4.156 5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.070 -2.797 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.104 0.691 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.263 -0.656 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.580 -0.890 3.965 1.00 0.00 H new ATOM 308 N LEU A 22 3.053 -4.741 8.069 1.00 0.00 N ATOM 309 CA LEU A 22 3.189 -6.182 8.248 1.00 0.00 C ATOM 310 C LEU A 22 3.311 -6.537 9.726 1.00 0.00 C ATOM 311 O LEU A 22 3.494 -7.701 10.083 1.00 0.00 O ATOM 312 CB LEU A 22 4.411 -6.697 7.485 1.00 0.00 C ATOM 313 CG LEU A 22 4.525 -6.257 6.025 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.938 -6.484 5.509 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.515 -6.999 5.164 1.00 0.00 C ATOM 0 H LEU A 22 3.938 -4.240 7.994 1.00 0.00 H new ATOM 0 HA LEU A 22 2.293 -6.660 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.308 -6.372 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.401 -7.787 7.516 1.00 0.00 H new ATOM 0 HG LEU A 22 4.306 -5.191 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.001 -6.165 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.641 -5.906 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.185 -7.543 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.611 -6.673 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.702 -8.071 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.507 -6.786 5.520 1.00 0.00 H new ATOM 327 N GLY A 23 3.207 -5.526 10.584 1.00 0.00 N ATOM 328 CA GLY A 23 3.306 -5.753 12.014 1.00 0.00 C ATOM 329 C GLY A 23 4.629 -6.378 12.411 1.00 0.00 C ATOM 330 O GLY A 23 4.667 -7.304 13.221 1.00 0.00 O ATOM 0 H GLY A 23 3.056 -4.554 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.183 -4.805 12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.491 -6.402 12.333 1.00 0.00 H new ATOM 334 N ALA A 24 5.716 -5.872 11.839 1.00 0.00 N ATOM 335 CA ALA A 24 7.047 -6.386 12.139 1.00 0.00 C ATOM 336 C ALA A 24 7.953 -5.284 12.678 1.00 0.00 C ATOM 337 O ALA A 24 7.535 -4.133 12.811 1.00 0.00 O ATOM 338 CB ALA A 24 7.661 -7.017 10.898 1.00 0.00 C ATOM 0 H ALA A 24 5.701 -5.106 11.165 1.00 0.00 H new ATOM 0 HA ALA A 24 6.949 -7.149 12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.655 -7.397 11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.031 -7.839 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.738 -6.268 10.109 1.00 0.00 H new ATOM 344 N ASP A 25 9.194 -5.643 12.986 1.00 0.00 N ATOM 345 CA ASP A 25 10.159 -4.684 13.511 1.00 0.00 C ATOM 346 C ASP A 25 11.214 -4.346 12.462 1.00 0.00 C ATOM 347 O ASP A 25 11.508 -5.137 11.565 1.00 0.00 O ATOM 348 CB ASP A 25 10.831 -5.239 14.767 1.00 0.00 C ATOM 349 CG ASP A 25 9.899 -5.258 15.962 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.230 -4.233 16.210 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.836 -6.299 16.649 1.00 0.00 O ATOM 0 H ASP A 25 9.556 -6.591 12.881 1.00 0.00 H new ATOM 0 HA ASP A 25 9.623 -3.771 13.769 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.184 -6.251 14.569 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.708 -4.636 15.003 1.00 0.00 H new ATOM 356 N PRO A 26 11.797 -3.144 12.574 1.00 0.00 N ATOM 357 CA PRO A 26 12.828 -2.673 11.644 1.00 0.00 C ATOM 358 C PRO A 26 14.141 -3.433 11.801 1.00 0.00 C ATOM 359 O PRO A 26 15.110 -3.170 11.089 1.00 0.00 O ATOM 360 CB PRO A 26 13.011 -1.204 12.031 1.00 0.00 C ATOM 361 CG PRO A 26 12.591 -1.133 13.458 1.00 0.00 C ATOM 362 CD PRO A 26 11.496 -2.150 13.619 1.00 0.00 C ATOM 0 HA PRO A 26 12.537 -2.821 10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.047 -0.888 11.907 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.402 -0.551 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.427 -1.352 14.122 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.236 -0.134 13.711 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.506 -2.597 14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.511 -1.705 13.479 1.00 0.00 H new ATOM 370 N SER A 27 14.165 -4.377 12.736 1.00 0.00 N ATOM 371 CA SER A 27 15.360 -5.173 12.989 1.00 0.00 C ATOM 372 C SER A 27 15.062 -6.662 12.844 1.00 0.00 C ATOM 373 O SER A 27 15.723 -7.501 13.455 1.00 0.00 O ATOM 374 CB SER A 27 15.905 -4.885 14.389 1.00 0.00 C ATOM 375 OG SER A 27 16.813 -3.797 14.369 1.00 0.00 O ATOM 0 H SER A 27 13.370 -4.609 13.331 1.00 0.00 H new ATOM 0 HA SER A 27 16.112 -4.897 12.250 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.080 -4.662 15.065 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.404 -5.772 14.778 1.00 0.00 H new ATOM 0 HG SER A 27 17.146 -3.632 15.276 1.00 0.00 H new ATOM 381 N ALA A 28 14.060 -6.982 12.031 1.00 0.00 N ATOM 382 CA ALA A 28 13.675 -8.369 11.803 1.00 0.00 C ATOM 383 C ALA A 28 14.495 -8.990 10.677 1.00 0.00 C ATOM 384 O ALA A 28 15.234 -8.296 9.980 1.00 0.00 O ATOM 385 CB ALA A 28 12.189 -8.459 11.487 1.00 0.00 C ATOM 0 H ALA A 28 13.501 -6.299 11.520 1.00 0.00 H new ATOM 0 HA ALA A 28 13.877 -8.930 12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.915 -9.501 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.614 -8.063 12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.972 -7.878 10.591 1.00 0.00 H new ATOM 391 N ASN A 29 14.360 -10.301 10.506 1.00 0.00 N ATOM 392 CA ASN A 29 15.090 -11.015 9.465 1.00 0.00 C ATOM 393 C ASN A 29 14.153 -11.444 8.340 1.00 0.00 C ATOM 394 O ASN A 29 12.942 -11.548 8.532 1.00 0.00 O ATOM 395 CB ASN A 29 15.792 -12.241 10.054 1.00 0.00 C ATOM 396 CG ASN A 29 16.845 -12.807 9.123 1.00 0.00 C ATOM 397 OD1 ASN A 29 16.533 -13.286 8.032 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.102 -12.755 9.549 1.00 0.00 N ATOM 0 H ASN A 29 13.752 -10.890 11.075 1.00 0.00 H new ATOM 0 HA ASN A 29 15.839 -10.339 9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.257 -11.970 11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.051 -13.011 10.271 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.854 -13.121 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.315 -12.349 10.460 1.00 0.00 H new ATOM 405 N MET A 30 14.723 -11.692 7.165 1.00 0.00 N ATOM 406 CA MET A 30 13.939 -12.111 6.009 1.00 0.00 C ATOM 407 C MET A 30 12.881 -13.133 6.412 1.00 0.00 C ATOM 408 O MET A 30 11.702 -12.978 6.093 1.00 0.00 O ATOM 409 CB MET A 30 14.853 -12.702 4.933 1.00 0.00 C ATOM 410 CG MET A 30 14.262 -12.641 3.534 1.00 0.00 C ATOM 411 SD MET A 30 14.664 -11.107 2.677 1.00 0.00 S ATOM 412 CE MET A 30 13.561 -9.960 3.500 1.00 0.00 C ATOM 0 H MET A 30 15.724 -11.610 6.989 1.00 0.00 H new ATOM 0 HA MET A 30 13.435 -11.233 5.605 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.803 -12.168 4.941 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.070 -13.741 5.182 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.630 -13.485 2.951 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.179 -12.745 3.597 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.365 -9.110 2.846 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.622 -10.462 3.733 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.024 -9.609 4.422 1.00 0.00 H new ATOM 422 N SER A 31 13.310 -14.177 7.113 1.00 0.00 N ATOM 423 CA SER A 31 12.399 -15.227 7.555 1.00 0.00 C ATOM 424 C SER A 31 11.243 -14.640 8.358 1.00 0.00 C ATOM 425 O SER A 31 10.075 -14.857 8.035 1.00 0.00 O ATOM 426 CB SER A 31 13.149 -16.259 8.400 1.00 0.00 C ATOM 427 OG SER A 31 12.250 -17.166 9.015 1.00 0.00 O ATOM 0 H SER A 31 14.282 -14.319 7.387 1.00 0.00 H new ATOM 0 HA SER A 31 11.992 -15.718 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.850 -16.808 7.771 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.736 -15.750 9.164 1.00 0.00 H new ATOM 0 HG SER A 31 12.754 -17.816 9.548 1.00 0.00 H new ATOM 433 N ASP A 32 11.576 -13.896 9.407 1.00 0.00 N ATOM 434 CA ASP A 32 10.567 -13.275 10.257 1.00 0.00 C ATOM 435 C ASP A 32 9.546 -12.512 9.419 1.00 0.00 C ATOM 436 O ASP A 32 8.359 -12.840 9.416 1.00 0.00 O ATOM 437 CB ASP A 32 11.226 -12.332 11.264 1.00 0.00 C ATOM 438 CG ASP A 32 11.721 -13.058 12.499 1.00 0.00 C ATOM 439 OD1 ASP A 32 12.079 -14.249 12.385 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.750 -12.435 13.581 1.00 0.00 O ATOM 0 H ASP A 32 12.538 -13.708 9.689 1.00 0.00 H new ATOM 0 HA ASP A 32 10.048 -14.066 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.063 -11.822 10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.511 -11.564 11.560 1.00 0.00 H new ATOM 445 N LEU A 33 10.015 -11.491 8.710 1.00 0.00 N ATOM 446 CA LEU A 33 9.142 -10.679 7.869 1.00 0.00 C ATOM 447 C LEU A 33 8.228 -11.559 7.023 1.00 0.00 C ATOM 448 O LEU A 33 7.014 -11.356 6.985 1.00 0.00 O ATOM 449 CB LEU A 33 9.976 -9.771 6.962 1.00 0.00 C ATOM 450 CG LEU A 33 10.653 -8.581 7.643 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.810 -8.070 6.799 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.645 -7.470 7.899 1.00 0.00 C ATOM 0 H LEU A 33 10.994 -11.206 8.701 1.00 0.00 H new ATOM 0 HA LEU A 33 8.522 -10.063 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.746 -10.377 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.331 -9.392 6.169 1.00 0.00 H new ATOM 0 HG LEU A 33 11.050 -8.913 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.279 -7.223 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.543 -8.866 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.438 -7.754 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.144 -6.631 8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.219 -7.140 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.850 -7.842 8.545 1.00 0.00 H new ATOM 464 N LYS A 34 8.818 -12.540 6.348 1.00 0.00 N ATOM 465 CA LYS A 34 8.057 -13.455 5.506 1.00 0.00 C ATOM 466 C LYS A 34 6.877 -14.046 6.271 1.00 0.00 C ATOM 467 O LYS A 34 5.726 -13.905 5.859 1.00 0.00 O ATOM 468 CB LYS A 34 8.960 -14.579 4.992 1.00 0.00 C ATOM 469 CG LYS A 34 8.493 -15.182 3.679 1.00 0.00 C ATOM 470 CD LYS A 34 9.654 -15.761 2.888 1.00 0.00 C ATOM 471 CE LYS A 34 9.174 -16.749 1.835 1.00 0.00 C ATOM 472 NZ LYS A 34 10.140 -16.873 0.709 1.00 0.00 N ATOM 0 H LYS A 34 9.822 -12.722 6.368 1.00 0.00 H new ATOM 0 HA LYS A 34 7.671 -12.891 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.971 -14.192 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.012 -15.365 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.760 -15.964 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.991 -14.418 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.206 -14.954 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.346 -16.259 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.025 -17.726 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.206 -16.427 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.776 -17.555 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.263 -15.946 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.056 -17.204 1.073 1.00 0.00 H new ATOM 486 N GLN A 35 7.172 -14.705 7.387 1.00 0.00 N ATOM 487 CA GLN A 35 6.135 -15.316 8.209 1.00 0.00 C ATOM 488 C GLN A 35 4.950 -14.372 8.381 1.00 0.00 C ATOM 489 O GLN A 35 3.796 -14.768 8.213 1.00 0.00 O ATOM 490 CB GLN A 35 6.700 -15.700 9.578 1.00 0.00 C ATOM 491 CG GLN A 35 7.627 -16.904 9.538 1.00 0.00 C ATOM 492 CD GLN A 35 6.898 -18.191 9.203 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.680 -18.507 8.034 1.00 0.00 O ATOM 494 NE2 GLN A 35 6.518 -18.940 10.231 1.00 0.00 N ATOM 0 H GLN A 35 8.120 -14.829 7.742 1.00 0.00 H new ATOM 0 HA GLN A 35 5.788 -16.216 7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.242 -14.849 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.874 -15.911 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.409 -16.731 8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.120 -17.011 10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.720 -18.638 11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.024 -19.817 10.068 1.00 0.00 H new ATOM 503 N LYS A 36 5.241 -13.120 8.719 1.00 0.00 N ATOM 504 CA LYS A 36 4.201 -12.117 8.913 1.00 0.00 C ATOM 505 C LYS A 36 3.468 -11.833 7.606 1.00 0.00 C ATOM 506 O LYS A 36 2.238 -11.798 7.568 1.00 0.00 O ATOM 507 CB LYS A 36 4.807 -10.824 9.462 1.00 0.00 C ATOM 508 CG LYS A 36 4.995 -10.832 10.969 1.00 0.00 C ATOM 509 CD LYS A 36 6.278 -11.542 11.368 1.00 0.00 C ATOM 510 CE LYS A 36 6.833 -10.998 12.675 1.00 0.00 C ATOM 511 NZ LYS A 36 7.643 -12.016 13.400 1.00 0.00 N ATOM 0 H LYS A 36 6.190 -12.776 8.864 1.00 0.00 H new ATOM 0 HA LYS A 36 3.483 -12.509 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.772 -10.654 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.164 -9.987 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.015 -9.807 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.144 -11.324 11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.087 -12.610 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.021 -11.424 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.449 -10.122 12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.010 -10.669 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.003 -11.607 14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.049 -12.842 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.443 -12.312 12.805 1.00 0.00 H new ATOM 525 N TYR A 37 4.230 -11.632 6.537 1.00 0.00 N ATOM 526 CA TYR A 37 3.653 -11.350 5.228 1.00 0.00 C ATOM 527 C TYR A 37 2.649 -12.429 4.832 1.00 0.00 C ATOM 528 O TYR A 37 1.471 -12.145 4.616 1.00 0.00 O ATOM 529 CB TYR A 37 4.755 -11.251 4.172 1.00 0.00 C ATOM 530 CG TYR A 37 4.230 -11.156 2.757 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.671 -9.977 2.280 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.293 -12.246 1.898 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.190 -9.886 0.988 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.816 -12.164 0.604 1.00 0.00 C ATOM 535 CZ TYR A 37 3.265 -10.982 0.154 1.00 0.00 C ATOM 536 OH TYR A 37 2.787 -10.896 -1.134 1.00 0.00 O ATOM 0 H TYR A 37 5.250 -11.659 6.551 1.00 0.00 H new ATOM 0 HA TYR A 37 3.130 -10.396 5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.370 -10.376 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.403 -12.124 4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.611 -9.117 2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.722 -13.173 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.758 -8.962 0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.874 -13.020 -0.052 1.00 0.00 H new ATOM 0 HH TYR A 37 2.916 -11.754 -1.589 1.00 0.00 H new ATOM 546 N GLN A 38 3.125 -13.666 4.740 1.00 0.00 N ATOM 547 CA GLN A 38 2.270 -14.788 4.370 1.00 0.00 C ATOM 548 C GLN A 38 0.953 -14.745 5.139 1.00 0.00 C ATOM 549 O GLN A 38 -0.121 -14.644 4.546 1.00 0.00 O ATOM 550 CB GLN A 38 2.987 -16.112 4.636 1.00 0.00 C ATOM 551 CG GLN A 38 4.013 -16.473 3.574 1.00 0.00 C ATOM 552 CD GLN A 38 4.191 -17.970 3.420 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.326 -18.696 4.405 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.193 -18.442 2.178 1.00 0.00 N ATOM 0 H GLN A 38 4.098 -13.917 4.916 1.00 0.00 H new ATOM 0 HA GLN A 38 2.051 -14.710 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.483 -16.059 5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.247 -16.910 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.707 -16.047 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.971 -16.022 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.078 -17.805 1.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.310 -19.442 2.013 1.00 0.00 H new ATOM 563 N LYS A 39 1.044 -14.822 6.462 1.00 0.00 N ATOM 564 CA LYS A 39 -0.140 -14.792 7.314 1.00 0.00 C ATOM 565 C LYS A 39 -0.976 -13.546 7.038 1.00 0.00 C ATOM 566 O LYS A 39 -2.172 -13.512 7.332 1.00 0.00 O ATOM 567 CB LYS A 39 0.267 -14.829 8.789 1.00 0.00 C ATOM 568 CG LYS A 39 0.993 -13.578 9.252 1.00 0.00 C ATOM 569 CD LYS A 39 1.053 -13.497 10.768 1.00 0.00 C ATOM 570 CE LYS A 39 -0.193 -12.839 11.340 1.00 0.00 C ATOM 571 NZ LYS A 39 0.088 -12.144 12.627 1.00 0.00 N ATOM 0 H LYS A 39 1.926 -14.906 6.968 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.743 -15.671 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.625 -14.968 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.908 -15.694 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.005 -13.572 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.487 -12.696 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.160 -14.499 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.935 -12.932 11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.589 -12.123 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.964 -13.594 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.786 -11.708 12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.442 -12.831 13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.805 -11.406 12.474 1.00 0.00 H new ATOM 585 N LEU A 40 -0.342 -12.527 6.471 1.00 0.00 N ATOM 586 CA LEU A 40 -1.028 -11.279 6.153 1.00 0.00 C ATOM 587 C LEU A 40 -1.370 -11.208 4.668 1.00 0.00 C ATOM 588 O LEU A 40 -1.615 -10.129 4.129 1.00 0.00 O ATOM 589 CB LEU A 40 -0.161 -10.082 6.546 1.00 0.00 C ATOM 590 CG LEU A 40 0.051 -9.871 8.046 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.978 -8.690 8.292 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.282 -9.661 8.749 1.00 0.00 C ATOM 0 H LEU A 40 0.647 -12.540 6.221 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.957 -11.249 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.815 -10.195 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.613 -9.180 6.133 1.00 0.00 H new ATOM 0 HG LEU A 40 0.518 -10.766 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.118 -8.554 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.943 -8.880 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.539 -7.788 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.112 -9.513 9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.777 -8.783 8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.913 -10.537 8.601 1.00 0.00 H new ATOM 604 N ILE A 41 -1.387 -12.365 4.015 1.00 0.00 N ATOM 605 CA ILE A 41 -1.702 -12.434 2.593 1.00 0.00 C ATOM 606 C ILE A 41 -3.059 -13.091 2.362 1.00 0.00 C ATOM 607 O ILE A 41 -3.779 -12.742 1.425 1.00 0.00 O ATOM 608 CB ILE A 41 -0.627 -13.216 1.815 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.594 -12.330 1.561 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.195 -13.734 0.503 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.321 -11.181 0.616 1.00 0.00 C ATOM 0 H ILE A 41 -1.187 -13.267 4.447 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.730 -11.408 2.226 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.314 -14.071 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.948 -11.931 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.398 -12.942 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.423 -14.284 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.037 -14.395 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.532 -12.894 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.231 -10.596 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.004 -11.572 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.461 -10.546 1.032 1.00 0.00 H new ATOM 623 N LEU A 42 -3.404 -14.042 3.223 1.00 0.00 N ATOM 624 CA LEU A 42 -4.676 -14.747 3.115 1.00 0.00 C ATOM 625 C LEU A 42 -5.736 -14.097 3.998 1.00 0.00 C ATOM 626 O LEU A 42 -6.916 -14.444 3.928 1.00 0.00 O ATOM 627 CB LEU A 42 -4.502 -16.216 3.504 1.00 0.00 C ATOM 628 CG LEU A 42 -3.463 -16.505 4.588 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.865 -15.851 5.900 1.00 0.00 C ATOM 630 CD2 LEU A 42 -3.285 -18.005 4.770 1.00 0.00 C ATOM 0 H LEU A 42 -2.820 -14.343 4.004 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.008 -14.689 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.465 -16.598 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.231 -16.778 2.610 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.509 -16.082 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.114 -16.067 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.940 -14.773 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.830 -16.243 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.542 -18.192 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.235 -18.451 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.950 -18.448 3.832 1.00 0.00 H new ATOM 642 N LEU A 43 -5.308 -13.153 4.828 1.00 0.00 N ATOM 643 CA LEU A 43 -6.221 -12.451 5.725 1.00 0.00 C ATOM 644 C LEU A 43 -6.971 -11.348 4.985 1.00 0.00 C ATOM 645 O LEU A 43 -8.047 -10.925 5.407 1.00 0.00 O ATOM 646 CB LEU A 43 -5.451 -11.857 6.905 1.00 0.00 C ATOM 647 CG LEU A 43 -5.106 -12.825 8.038 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.339 -12.108 9.138 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.369 -13.465 8.595 1.00 0.00 C ATOM 0 H LEU A 43 -4.335 -12.855 4.899 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.949 -13.171 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.524 -11.426 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.038 -11.038 7.320 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.470 -13.614 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.102 -12.813 9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.415 -11.698 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.949 -11.298 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.105 -14.151 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.030 -12.689 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.878 -14.014 7.803 1.00 0.00 H new ATOM 661 N TYR A 44 -6.396 -10.888 3.880 1.00 0.00 N ATOM 662 CA TYR A 44 -7.010 -9.834 3.081 1.00 0.00 C ATOM 663 C TYR A 44 -7.166 -10.273 1.628 1.00 0.00 C ATOM 664 O TYR A 44 -7.424 -9.455 0.744 1.00 0.00 O ATOM 665 CB TYR A 44 -6.171 -8.557 3.152 1.00 0.00 C ATOM 666 CG TYR A 44 -5.869 -8.110 4.565 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.737 -8.562 5.231 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.716 -7.233 5.232 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.458 -8.156 6.521 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.444 -6.821 6.523 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.314 -7.285 7.163 1.00 0.00 C ATOM 672 OH TYR A 44 -5.039 -6.878 8.448 1.00 0.00 O ATOM 0 H TYR A 44 -5.506 -11.228 3.517 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.000 -9.633 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.232 -8.719 2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.697 -7.757 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.064 -9.243 4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.601 -6.867 4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.574 -8.518 7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.113 -6.139 7.028 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.069 -6.871 8.588 1.00 0.00 H new ATOM 682 N HIS A 45 -7.008 -11.571 1.388 1.00 0.00 N ATOM 683 CA HIS A 45 -7.132 -12.120 0.043 1.00 0.00 C ATOM 684 C HIS A 45 -8.597 -12.199 -0.379 1.00 0.00 C ATOM 685 O HIS A 45 -9.480 -12.526 0.415 1.00 0.00 O ATOM 686 CB HIS A 45 -6.495 -13.508 -0.025 1.00 0.00 C ATOM 687 CG HIS A 45 -5.989 -13.869 -1.388 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.746 -14.554 -2.315 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.794 -13.635 -1.979 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.038 -14.727 -3.417 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.850 -14.178 -3.239 1.00 0.00 N ATOM 0 H HIS A 45 -6.794 -12.262 2.107 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.609 -11.454 -0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.669 -13.555 0.684 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.228 -14.251 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.953 -13.118 -1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.374 -15.231 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.096 -14.160 -3.926 1.00 0.00 H new ATOM 700 N PRO A 46 -8.862 -11.893 -1.657 1.00 0.00 N ATOM 701 CA PRO A 46 -10.219 -11.921 -2.213 1.00 0.00 C ATOM 702 C PRO A 46 -10.764 -13.340 -2.337 1.00 0.00 C ATOM 703 O PRO A 46 -11.934 -13.593 -2.047 1.00 0.00 O ATOM 704 CB PRO A 46 -10.048 -11.291 -3.597 1.00 0.00 C ATOM 705 CG PRO A 46 -8.623 -11.538 -3.954 1.00 0.00 C ATOM 706 CD PRO A 46 -7.859 -11.495 -2.659 1.00 0.00 C ATOM 0 HA PRO A 46 -10.932 -11.397 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.722 -11.744 -4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.272 -10.224 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.505 -12.504 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.258 -10.781 -4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.010 -12.178 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.464 -10.499 -2.458 1.00 0.00 H new ATOM 714 N ASP A 47 -9.911 -14.261 -2.769 1.00 0.00 N ATOM 715 CA ASP A 47 -10.307 -15.655 -2.930 1.00 0.00 C ATOM 716 C ASP A 47 -10.596 -16.298 -1.577 1.00 0.00 C ATOM 717 O ASP A 47 -11.574 -17.029 -1.421 1.00 0.00 O ATOM 718 CB ASP A 47 -9.213 -16.438 -3.657 1.00 0.00 C ATOM 719 CG ASP A 47 -9.755 -17.657 -4.378 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.861 -17.564 -4.950 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.073 -18.703 -4.370 1.00 0.00 O ATOM 0 H ASP A 47 -8.940 -14.068 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.219 -15.681 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.719 -15.784 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.456 -16.751 -2.938 1.00 0.00 H new ATOM 726 N LYS A 48 -9.738 -16.021 -0.601 1.00 0.00 N ATOM 727 CA LYS A 48 -9.901 -16.571 0.740 1.00 0.00 C ATOM 728 C LYS A 48 -11.013 -15.849 1.493 1.00 0.00 C ATOM 729 O LYS A 48 -10.834 -15.440 2.640 1.00 0.00 O ATOM 730 CB LYS A 48 -8.588 -16.462 1.520 1.00 0.00 C ATOM 731 CG LYS A 48 -7.486 -17.358 0.983 1.00 0.00 C ATOM 732 CD LYS A 48 -6.608 -16.623 -0.017 1.00 0.00 C ATOM 733 CE LYS A 48 -5.611 -17.562 -0.679 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.027 -16.969 -1.914 1.00 0.00 N ATOM 0 H LYS A 48 -8.922 -15.419 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.175 -17.622 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.247 -15.427 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.773 -16.714 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.874 -17.719 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.927 -18.234 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.233 -16.158 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.072 -15.820 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.812 -17.797 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.105 -18.501 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.328 -17.625 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.782 -16.799 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.562 -16.068 -1.680 1.00 0.00 H new ATOM 748 N GLN A 49 -12.162 -15.699 0.841 1.00 0.00 N ATOM 749 CA GLN A 49 -13.303 -15.027 1.451 1.00 0.00 C ATOM 750 C GLN A 49 -14.498 -15.970 1.556 1.00 0.00 C ATOM 751 O GLN A 49 -14.419 -17.133 1.159 1.00 0.00 O ATOM 752 CB GLN A 49 -13.686 -13.788 0.640 1.00 0.00 C ATOM 753 CG GLN A 49 -12.605 -12.719 0.614 1.00 0.00 C ATOM 754 CD GLN A 49 -12.303 -12.162 1.991 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.162 -11.551 2.628 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.078 -12.370 2.459 1.00 0.00 N ATOM 0 H GLN A 49 -12.327 -16.033 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.016 -14.720 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.912 -14.089 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.598 -13.360 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.694 -13.139 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.918 -11.907 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.397 -12.882 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.817 -12.018 3.380 1.00 0.00 H new ATOM 765 N SER A 50 -15.602 -15.461 2.092 1.00 0.00 N ATOM 766 CA SER A 50 -16.812 -16.259 2.252 1.00 0.00 C ATOM 767 C SER A 50 -18.037 -15.363 2.412 1.00 0.00 C ATOM 768 O SER A 50 -17.978 -14.325 3.071 1.00 0.00 O ATOM 769 CB SER A 50 -16.681 -17.184 3.464 1.00 0.00 C ATOM 770 OG SER A 50 -16.047 -18.401 3.110 1.00 0.00 O ATOM 0 H SER A 50 -15.684 -14.500 2.423 1.00 0.00 H new ATOM 0 HA SER A 50 -16.941 -16.863 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.108 -16.686 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.669 -17.391 3.876 1.00 0.00 H new ATOM 0 HG SER A 50 -15.413 -18.239 2.380 1.00 0.00 H new ATOM 776 N ALA A 51 -19.145 -15.772 1.804 1.00 0.00 N ATOM 777 CA ALA A 51 -20.384 -15.009 1.879 1.00 0.00 C ATOM 778 C ALA A 51 -20.654 -14.540 3.305 1.00 0.00 C ATOM 779 O ALA A 51 -21.395 -13.581 3.523 1.00 0.00 O ATOM 780 CB ALA A 51 -21.550 -15.843 1.367 1.00 0.00 C ATOM 0 H ALA A 51 -19.210 -16.628 1.254 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.277 -14.127 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.469 -15.260 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.368 -16.125 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.649 -16.742 1.975 1.00 0.00 H new ATOM 786 N ASP A 52 -20.049 -15.221 4.271 1.00 0.00 N ATOM 787 CA ASP A 52 -20.223 -14.873 5.677 1.00 0.00 C ATOM 788 C ASP A 52 -19.897 -13.402 5.917 1.00 0.00 C ATOM 789 O ASP A 52 -20.703 -12.661 6.481 1.00 0.00 O ATOM 790 CB ASP A 52 -19.336 -15.754 6.556 1.00 0.00 C ATOM 791 CG ASP A 52 -19.780 -15.759 8.006 1.00 0.00 C ATOM 792 OD1 ASP A 52 -20.312 -14.727 8.467 1.00 0.00 O ATOM 793 OD2 ASP A 52 -19.596 -16.794 8.679 1.00 0.00 O ATOM 0 H ASP A 52 -19.433 -16.018 4.107 1.00 0.00 H new ATOM 0 HA ASP A 52 -21.267 -15.043 5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.348 -16.774 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.306 -15.402 6.496 1.00 0.00 H new ATOM 798 N VAL A 53 -18.711 -12.986 5.486 1.00 0.00 N ATOM 799 CA VAL A 53 -18.278 -11.603 5.653 1.00 0.00 C ATOM 800 C VAL A 53 -19.188 -10.646 4.892 1.00 0.00 C ATOM 801 O VAL A 53 -19.620 -10.920 3.772 1.00 0.00 O ATOM 802 CB VAL A 53 -16.828 -11.407 5.173 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.903 -12.413 5.842 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.748 -11.522 3.659 1.00 0.00 C ATOM 0 H VAL A 53 -18.032 -13.587 5.018 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.333 -11.381 6.719 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.502 -10.406 5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.883 -12.259 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.939 -12.277 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.224 -13.424 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.716 -11.381 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.092 -12.509 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.378 -10.759 3.202 1.00 0.00 H new ATOM 814 N PRO A 54 -19.488 -9.495 5.512 1.00 0.00 N ATOM 815 CA PRO A 54 -20.349 -8.473 4.910 1.00 0.00 C ATOM 816 C PRO A 54 -19.683 -7.777 3.728 1.00 0.00 C ATOM 817 O PRO A 54 -18.506 -8.002 3.445 1.00 0.00 O ATOM 818 CB PRO A 54 -20.576 -7.482 6.054 1.00 0.00 C ATOM 819 CG PRO A 54 -19.393 -7.653 6.944 1.00 0.00 C ATOM 820 CD PRO A 54 -19.008 -9.103 6.848 1.00 0.00 C ATOM 0 HA PRO A 54 -21.268 -8.900 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.648 -6.459 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.504 -7.695 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.572 -7.010 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.635 -7.381 7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.931 -9.240 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.476 -9.696 7.633 1.00 0.00 H new ATOM 828 N ALA A 55 -20.442 -6.930 3.041 1.00 0.00 N ATOM 829 CA ALA A 55 -19.925 -6.199 1.891 1.00 0.00 C ATOM 830 C ALA A 55 -18.996 -5.072 2.330 1.00 0.00 C ATOM 831 O ALA A 55 -18.104 -4.664 1.587 1.00 0.00 O ATOM 832 CB ALA A 55 -21.071 -5.647 1.057 1.00 0.00 C ATOM 0 H ALA A 55 -21.418 -6.733 3.261 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.348 -6.893 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.670 -5.104 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.694 -6.469 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.672 -4.972 1.666 1.00 0.00 H new ATOM 838 N GLY A 56 -19.213 -4.571 3.542 1.00 0.00 N ATOM 839 CA GLY A 56 -18.387 -3.494 4.058 1.00 0.00 C ATOM 840 C GLY A 56 -16.968 -3.940 4.348 1.00 0.00 C ATOM 841 O GLY A 56 -16.028 -3.149 4.252 1.00 0.00 O ATOM 0 H GLY A 56 -19.945 -4.891 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.368 -2.677 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.835 -3.102 4.971 1.00 0.00 H new ATOM 845 N THR A 57 -16.809 -5.210 4.706 1.00 0.00 N ATOM 846 CA THR A 57 -15.495 -5.759 5.014 1.00 0.00 C ATOM 847 C THR A 57 -14.666 -5.944 3.748 1.00 0.00 C ATOM 848 O THR A 57 -13.529 -5.479 3.666 1.00 0.00 O ATOM 849 CB THR A 57 -15.607 -7.112 5.742 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.183 -6.923 7.040 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.242 -7.768 5.878 1.00 0.00 C ATOM 0 H THR A 57 -17.575 -5.878 4.790 1.00 0.00 H new ATOM 0 HA THR A 57 -14.999 -5.042 5.669 1.00 0.00 H new ATOM 0 HB THR A 57 -16.249 -7.766 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.253 -7.788 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.347 -8.722 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.819 -7.937 4.888 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.580 -7.116 6.449 1.00 0.00 H new ATOM 859 N MET A 58 -15.243 -6.625 2.763 1.00 0.00 N ATOM 860 CA MET A 58 -14.556 -6.869 1.499 1.00 0.00 C ATOM 861 C MET A 58 -13.773 -5.636 1.059 1.00 0.00 C ATOM 862 O MET A 58 -12.585 -5.723 0.751 1.00 0.00 O ATOM 863 CB MET A 58 -15.562 -7.262 0.416 1.00 0.00 C ATOM 864 CG MET A 58 -14.985 -8.189 -0.642 1.00 0.00 C ATOM 865 SD MET A 58 -14.331 -9.717 0.057 1.00 0.00 S ATOM 866 CE MET A 58 -12.574 -9.368 0.049 1.00 0.00 C ATOM 0 H MET A 58 -16.183 -7.017 2.815 1.00 0.00 H new ATOM 0 HA MET A 58 -13.854 -7.689 1.648 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.418 -7.748 0.885 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.934 -6.359 -0.068 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.759 -8.429 -1.371 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.191 -7.671 -1.180 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.099 -9.909 -0.770 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.416 -8.298 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.136 -9.685 0.995 1.00 0.00 H new ATOM 876 N GLU A 59 -14.447 -4.491 1.031 1.00 0.00 N ATOM 877 CA GLU A 59 -13.813 -3.242 0.627 1.00 0.00 C ATOM 878 C GLU A 59 -12.560 -2.975 1.456 1.00 0.00 C ATOM 879 O GLU A 59 -11.490 -2.702 0.912 1.00 0.00 O ATOM 880 CB GLU A 59 -14.792 -2.076 0.774 1.00 0.00 C ATOM 881 CG GLU A 59 -15.802 -1.983 -0.358 1.00 0.00 C ATOM 882 CD GLU A 59 -16.516 -0.645 -0.394 1.00 0.00 C ATOM 883 OE1 GLU A 59 -17.094 -0.253 0.641 1.00 0.00 O ATOM 884 OE2 GLU A 59 -16.497 0.008 -1.458 1.00 0.00 O ATOM 0 H GLU A 59 -15.431 -4.402 1.283 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.523 -3.334 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.326 -2.178 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.229 -1.144 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.293 -2.145 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.537 -2.780 -0.250 1.00 0.00 H new ATOM 891 N GLU A 60 -12.701 -3.056 2.775 1.00 0.00 N ATOM 892 CA GLU A 60 -11.581 -2.821 3.679 1.00 0.00 C ATOM 893 C GLU A 60 -10.446 -3.803 3.404 1.00 0.00 C ATOM 894 O GLU A 60 -9.270 -3.441 3.462 1.00 0.00 O ATOM 895 CB GLU A 60 -12.037 -2.946 5.134 1.00 0.00 C ATOM 896 CG GLU A 60 -12.802 -1.734 5.639 1.00 0.00 C ATOM 897 CD GLU A 60 -11.947 -0.482 5.683 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.195 -0.312 6.665 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.032 0.328 4.736 1.00 0.00 O ATOM 0 H GLU A 60 -13.579 -3.282 3.241 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.213 -1.809 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.667 -3.830 5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.164 -3.104 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.664 -1.559 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.187 -1.942 6.637 1.00 0.00 H new ATOM 906 N CYS A 61 -10.806 -5.047 3.106 1.00 0.00 N ATOM 907 CA CYS A 61 -9.819 -6.082 2.824 1.00 0.00 C ATOM 908 C CYS A 61 -8.900 -5.660 1.682 1.00 0.00 C ATOM 909 O CYS A 61 -7.676 -5.710 1.806 1.00 0.00 O ATOM 910 CB CYS A 61 -10.515 -7.398 2.474 1.00 0.00 C ATOM 911 SG CYS A 61 -10.851 -8.457 3.901 1.00 0.00 S ATOM 0 H CYS A 61 -11.775 -5.363 3.054 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.214 -6.226 3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.456 -7.176 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.895 -7.947 1.765 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.443 -9.544 3.505 1.00 0.00 H new ATOM 917 N MET A 62 -9.498 -5.246 0.570 1.00 0.00 N ATOM 918 CA MET A 62 -8.733 -4.815 -0.594 1.00 0.00 C ATOM 919 C MET A 62 -7.647 -3.821 -0.194 1.00 0.00 C ATOM 920 O MET A 62 -6.459 -4.073 -0.392 1.00 0.00 O ATOM 921 CB MET A 62 -9.659 -4.185 -1.636 1.00 0.00 C ATOM 922 CG MET A 62 -9.153 -4.323 -3.062 1.00 0.00 C ATOM 923 SD MET A 62 -9.211 -6.023 -3.659 1.00 0.00 S ATOM 924 CE MET A 62 -7.865 -6.015 -4.840 1.00 0.00 C ATOM 0 H MET A 62 -10.510 -5.200 0.450 1.00 0.00 H new ATOM 0 HA MET A 62 -8.255 -5.693 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.643 -4.648 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.786 -3.127 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.751 -3.691 -3.718 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.127 -3.958 -3.116 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.775 -7.001 -5.295 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.065 -5.275 -5.615 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.935 -5.764 -4.330 1.00 0.00 H new ATOM 934 N GLN A 63 -8.064 -2.691 0.369 1.00 0.00 N ATOM 935 CA GLN A 63 -7.127 -1.659 0.795 1.00 0.00 C ATOM 936 C GLN A 63 -5.899 -2.278 1.455 1.00 0.00 C ATOM 937 O GLN A 63 -4.772 -2.086 0.999 1.00 0.00 O ATOM 938 CB GLN A 63 -7.807 -0.690 1.764 1.00 0.00 C ATOM 939 CG GLN A 63 -8.471 0.491 1.076 1.00 0.00 C ATOM 940 CD GLN A 63 -9.675 1.009 1.838 1.00 0.00 C ATOM 941 OE1 GLN A 63 -9.545 1.534 2.945 1.00 0.00 O ATOM 942 NE2 GLN A 63 -10.856 0.865 1.249 1.00 0.00 N ATOM 0 H GLN A 63 -9.044 -2.468 0.540 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.804 -1.110 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.556 -1.232 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.067 -0.318 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.744 1.295 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.780 0.196 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.918 0.424 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.702 1.195 1.714 1.00 0.00 H new ATOM 951 N LYS A 64 -6.125 -3.022 2.533 1.00 0.00 N ATOM 952 CA LYS A 64 -5.038 -3.671 3.257 1.00 0.00 C ATOM 953 C LYS A 64 -4.224 -4.566 2.328 1.00 0.00 C ATOM 954 O LYS A 64 -3.063 -4.280 2.034 1.00 0.00 O ATOM 955 CB LYS A 64 -5.594 -4.496 4.420 1.00 0.00 C ATOM 956 CG LYS A 64 -6.414 -3.682 5.406 1.00 0.00 C ATOM 957 CD LYS A 64 -5.532 -3.012 6.446 1.00 0.00 C ATOM 958 CE LYS A 64 -5.033 -4.009 7.480 1.00 0.00 C ATOM 959 NZ LYS A 64 -3.856 -3.490 8.229 1.00 0.00 N ATOM 0 H LYS A 64 -7.052 -3.190 2.925 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.382 -2.895 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.214 -5.299 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.765 -4.966 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.984 -2.924 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.136 -4.330 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.681 -2.540 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.092 -2.220 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.836 -4.239 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.765 -4.942 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.546 -4.199 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.080 -3.295 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.118 -2.613 8.723 1.00 0.00 H new ATOM 973 N PHE A 65 -4.841 -5.650 1.868 1.00 0.00 N ATOM 974 CA PHE A 65 -4.173 -6.587 0.972 1.00 0.00 C ATOM 975 C PHE A 65 -3.228 -5.854 0.025 1.00 0.00 C ATOM 976 O PHE A 65 -2.111 -6.306 -0.228 1.00 0.00 O ATOM 977 CB PHE A 65 -5.205 -7.380 0.168 1.00 0.00 C ATOM 978 CG PHE A 65 -4.593 -8.321 -0.830 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.958 -9.479 -0.411 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.653 -8.047 -2.187 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.394 -10.347 -1.327 1.00 0.00 C ATOM 982 CE2 PHE A 65 -4.091 -8.912 -3.107 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.460 -10.063 -2.677 1.00 0.00 C ATOM 0 H PHE A 65 -5.802 -5.901 2.101 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.587 -7.277 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.830 -7.949 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.859 -6.683 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.903 -9.706 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.144 -7.148 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.902 -11.247 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.145 -8.688 -4.162 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.019 -10.739 -3.395 1.00 0.00 H new ATOM 993 N ILE A 66 -3.684 -4.720 -0.496 1.00 0.00 N ATOM 994 CA ILE A 66 -2.880 -3.924 -1.415 1.00 0.00 C ATOM 995 C ILE A 66 -1.600 -3.437 -0.745 1.00 0.00 C ATOM 996 O ILE A 66 -0.503 -3.622 -1.273 1.00 0.00 O ATOM 997 CB ILE A 66 -3.665 -2.707 -1.941 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.839 -3.166 -2.808 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.747 -1.785 -2.729 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.949 -2.144 -2.912 1.00 0.00 C ATOM 0 H ILE A 66 -4.606 -4.332 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.625 -4.572 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.061 -2.153 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.473 -3.396 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.244 -4.090 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.316 -0.930 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.941 -1.436 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.325 -2.328 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.748 -2.537 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.342 -1.931 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.559 -1.226 -3.352 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.747 -2.816 0.421 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.601 -2.305 1.164 1.00 0.00 C ATOM 1014 C GLU A 67 0.374 -3.428 1.501 1.00 0.00 C ATOM 1015 O GLU A 67 1.590 -3.259 1.402 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.065 -1.614 2.448 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.548 -0.190 2.233 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.943 -0.130 1.641 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -3.084 -0.392 0.428 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.894 0.178 2.390 1.00 0.00 O ATOM 0 H GLU A 67 -2.648 -2.655 0.871 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.087 -1.579 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.870 -2.198 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.243 -1.606 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.538 0.341 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.854 0.329 1.572 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.167 -4.574 1.899 1.00 0.00 N ATOM 1028 CA ILE A 68 0.655 -5.726 2.250 1.00 0.00 C ATOM 1029 C ILE A 68 1.504 -6.176 1.067 1.00 0.00 C ATOM 1030 O ILE A 68 2.733 -6.188 1.141 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.208 -6.909 2.728 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.087 -6.484 3.906 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.674 -8.086 3.116 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.307 -7.358 4.096 1.00 0.00 C ATOM 0 H ILE A 68 -1.171 -4.730 1.987 1.00 0.00 H new ATOM 0 HA ILE A 68 1.308 -5.411 3.064 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.856 -7.221 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.491 -6.502 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.408 -5.453 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.049 -8.914 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.261 -8.401 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.345 -7.788 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.883 -6.998 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.925 -7.321 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.993 -8.386 4.278 1.00 0.00 H new ATOM 1046 N ASP A 69 0.842 -6.544 -0.024 1.00 0.00 N ATOM 1047 CA ASP A 69 1.536 -6.993 -1.225 1.00 0.00 C ATOM 1048 C ASP A 69 2.686 -6.052 -1.572 1.00 0.00 C ATOM 1049 O ASP A 69 3.630 -6.439 -2.260 1.00 0.00 O ATOM 1050 CB ASP A 69 0.561 -7.082 -2.400 1.00 0.00 C ATOM 1051 CG ASP A 69 1.020 -8.063 -3.461 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.188 -7.967 -3.893 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.212 -8.929 -3.857 1.00 0.00 O ATOM 0 H ASP A 69 -0.175 -6.540 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 69 1.947 -7.983 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.420 -7.382 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.445 -6.095 -2.848 1.00 0.00 H new ATOM 1058 N GLN A 70 2.598 -4.816 -1.091 1.00 0.00 N ATOM 1059 CA GLN A 70 3.630 -3.820 -1.351 1.00 0.00 C ATOM 1060 C GLN A 70 4.779 -3.953 -0.356 1.00 0.00 C ATOM 1061 O GLN A 70 5.935 -4.113 -0.746 1.00 0.00 O ATOM 1062 CB GLN A 70 3.039 -2.411 -1.281 1.00 0.00 C ATOM 1063 CG GLN A 70 2.503 -1.909 -2.612 1.00 0.00 C ATOM 1064 CD GLN A 70 1.614 -2.923 -3.303 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.037 -4.043 -3.592 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.372 -2.536 -3.572 1.00 0.00 N ATOM 0 H GLN A 70 1.823 -4.481 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 70 4.021 -3.992 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.233 -2.400 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.805 -1.722 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.941 -0.990 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.339 -1.660 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.063 -1.599 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.273 -3.176 -4.036 1.00 0.00 H new ATOM 1075 N ALA A 71 4.451 -3.886 0.930 1.00 0.00 N ATOM 1076 CA ALA A 71 5.455 -4.000 1.980 1.00 0.00 C ATOM 1077 C ALA A 71 6.466 -5.095 1.657 1.00 0.00 C ATOM 1078 O ALA A 71 7.647 -4.978 1.982 1.00 0.00 O ATOM 1079 CB ALA A 71 4.788 -4.274 3.320 1.00 0.00 C ATOM 0 H ALA A 71 3.498 -3.753 1.269 1.00 0.00 H new ATOM 0 HA ALA A 71 5.991 -3.053 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.550 -4.357 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.110 -3.456 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.226 -5.206 3.263 1.00 0.00 H new ATOM 1085 N TRP A 72 5.994 -6.159 1.018 1.00 0.00 N ATOM 1086 CA TRP A 72 6.857 -7.276 0.651 1.00 0.00 C ATOM 1087 C TRP A 72 7.858 -6.862 -0.422 1.00 0.00 C ATOM 1088 O TRP A 72 9.035 -7.218 -0.359 1.00 0.00 O ATOM 1089 CB TRP A 72 6.018 -8.455 0.156 1.00 0.00 C ATOM 1090 CG TRP A 72 6.791 -9.735 0.059 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.961 -10.508 -1.054 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.498 -10.392 1.117 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.730 -11.606 -0.752 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.073 -11.557 0.574 1.00 0.00 C ATOM 1095 CE3 TRP A 72 7.703 -10.107 2.470 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.837 -12.436 1.337 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.461 -10.980 3.226 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.021 -12.133 2.659 1.00 0.00 C ATOM 0 H TRP A 72 5.018 -6.272 0.743 1.00 0.00 H new ATOM 0 HA TRP A 72 7.411 -7.581 1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.174 -8.599 0.830 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.606 -8.213 -0.824 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.551 -10.288 -2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.001 -12.338 -1.408 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.277 -9.221 2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.269 -13.325 0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 8.625 -10.770 4.273 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.609 -12.795 3.277 1.00 0.00 H new ATOM 1109 N LYS A 73 7.384 -6.106 -1.407 1.00 0.00 N ATOM 1110 CA LYS A 73 8.237 -5.641 -2.494 1.00 0.00 C ATOM 1111 C LYS A 73 9.555 -5.095 -1.955 1.00 0.00 C ATOM 1112 O LYS A 73 10.601 -5.233 -2.591 1.00 0.00 O ATOM 1113 CB LYS A 73 7.519 -4.562 -3.307 1.00 0.00 C ATOM 1114 CG LYS A 73 6.368 -5.094 -4.142 1.00 0.00 C ATOM 1115 CD LYS A 73 5.569 -3.966 -4.773 1.00 0.00 C ATOM 1116 CE LYS A 73 6.205 -3.490 -6.070 1.00 0.00 C ATOM 1117 NZ LYS A 73 5.826 -4.352 -7.223 1.00 0.00 N ATOM 0 H LYS A 73 6.413 -5.802 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 73 8.454 -6.490 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.141 -3.798 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.239 -4.075 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.756 -5.748 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.713 -5.699 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.551 -4.305 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.499 -3.133 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.899 -2.463 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.290 -3.484 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.280 -3.994 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.140 -5.327 -7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.793 -4.337 -7.343 1.00 0.00 H new ATOM 1131 N ILE A 74 9.498 -4.476 -0.780 1.00 0.00 N ATOM 1132 CA ILE A 74 10.688 -3.912 -0.156 1.00 0.00 C ATOM 1133 C ILE A 74 11.198 -4.809 0.967 1.00 0.00 C ATOM 1134 O ILE A 74 12.348 -5.249 0.952 1.00 0.00 O ATOM 1135 CB ILE A 74 10.414 -2.506 0.410 1.00 0.00 C ATOM 1136 CG1 ILE A 74 10.211 -1.505 -0.729 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.557 -2.066 1.312 1.00 0.00 C ATOM 1138 CD1 ILE A 74 9.074 -1.869 -1.658 1.00 0.00 C ATOM 0 H ILE A 74 8.640 -4.353 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 74 11.448 -3.840 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 74 9.501 -2.541 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.022 -0.519 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.132 -1.433 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.349 -1.071 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.658 -2.768 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.484 -2.044 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.988 -1.115 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.271 -2.841 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.143 -1.913 -1.093 1.00 0.00 H new ATOM 1150 N LEU A 75 10.334 -5.079 1.939 1.00 0.00 N ATOM 1151 CA LEU A 75 10.695 -5.926 3.070 1.00 0.00 C ATOM 1152 C LEU A 75 10.509 -7.401 2.727 1.00 0.00 C ATOM 1153 O LEU A 75 10.157 -8.209 3.586 1.00 0.00 O ATOM 1154 CB LEU A 75 9.851 -5.565 4.294 1.00 0.00 C ATOM 1155 CG LEU A 75 9.916 -4.106 4.747 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.079 -3.898 5.999 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.358 -3.687 4.992 1.00 0.00 C ATOM 0 H LEU A 75 9.378 -4.724 1.967 1.00 0.00 H new ATOM 0 HA LEU A 75 11.747 -5.755 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.811 -5.812 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.164 -6.197 5.125 1.00 0.00 H new ATOM 0 HG LEU A 75 9.507 -3.481 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.137 -2.854 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.041 -4.157 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.458 -4.534 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.385 -2.646 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.793 -4.318 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.930 -3.797 4.071 1.00 0.00 H new ATOM 1169 N GLY A 76 10.749 -7.745 1.466 1.00 0.00 N ATOM 1170 CA GLY A 76 10.605 -9.123 1.032 1.00 0.00 C ATOM 1171 C GLY A 76 11.914 -9.721 0.557 1.00 0.00 C ATOM 1172 O GLY A 76 12.153 -10.917 0.719 1.00 0.00 O ATOM 0 H GLY A 76 11.041 -7.094 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.214 -9.721 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.873 -9.172 0.226 1.00 0.00 H new ATOM 1176 N ASN A 77 12.764 -8.888 -0.034 1.00 0.00 N ATOM 1177 CA ASN A 77 14.055 -9.342 -0.537 1.00 0.00 C ATOM 1178 C ASN A 77 15.182 -8.932 0.407 1.00 0.00 C ATOM 1179 O ASN A 77 15.078 -7.929 1.112 1.00 0.00 O ATOM 1180 CB ASN A 77 14.311 -8.772 -1.933 1.00 0.00 C ATOM 1181 CG ASN A 77 13.213 -9.131 -2.915 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.243 -9.801 -2.561 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.360 -8.685 -4.157 1.00 0.00 N ATOM 0 H ASN A 77 12.582 -7.895 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 77 14.032 -10.430 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.397 -7.687 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.265 -9.146 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.653 -8.895 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.180 -8.133 -4.407 1.00 0.00 H new ATOM 1190 N GLU A 78 16.256 -9.714 0.412 1.00 0.00 N ATOM 1191 CA GLU A 78 17.402 -9.432 1.269 1.00 0.00 C ATOM 1192 C GLU A 78 18.077 -8.125 0.862 1.00 0.00 C ATOM 1193 O GLU A 78 18.764 -7.494 1.664 1.00 0.00 O ATOM 1194 CB GLU A 78 18.410 -10.581 1.206 1.00 0.00 C ATOM 1195 CG GLU A 78 19.272 -10.704 2.451 1.00 0.00 C ATOM 1196 CD GLU A 78 19.868 -12.088 2.614 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.522 -12.569 1.664 1.00 0.00 O ATOM 1198 OE2 GLU A 78 19.681 -12.692 3.691 1.00 0.00 O ATOM 0 H GLU A 78 16.357 -10.547 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 78 17.041 -9.331 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.872 -11.517 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.056 -10.439 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.076 -9.969 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.672 -10.465 3.329 1.00 0.00 H new ATOM 1205 N GLU A 79 17.874 -7.726 -0.390 1.00 0.00 N ATOM 1206 CA GLU A 79 18.465 -6.496 -0.903 1.00 0.00 C ATOM 1207 C GLU A 79 17.595 -5.290 -0.559 1.00 0.00 C ATOM 1208 O GLU A 79 17.931 -4.499 0.323 1.00 0.00 O ATOM 1209 CB GLU A 79 18.651 -6.588 -2.419 1.00 0.00 C ATOM 1210 CG GLU A 79 19.263 -5.340 -3.034 1.00 0.00 C ATOM 1211 CD GLU A 79 19.657 -5.538 -4.485 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.789 -5.356 -5.364 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.832 -5.874 -4.741 1.00 0.00 O ATOM 0 H GLU A 79 17.306 -8.236 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 79 19.439 -6.366 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.286 -7.444 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.683 -6.775 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.551 -4.518 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.142 -5.050 -2.459 1.00 0.00 H new ATOM 1220 N THR A 80 16.474 -5.156 -1.262 1.00 0.00 N ATOM 1221 CA THR A 80 15.557 -4.047 -1.033 1.00 0.00 C ATOM 1222 C THR A 80 15.325 -3.824 0.457 1.00 0.00 C ATOM 1223 O THR A 80 15.403 -2.696 0.946 1.00 0.00 O ATOM 1224 CB THR A 80 14.200 -4.290 -1.720 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.702 -5.587 -1.377 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.331 -4.174 -3.232 1.00 0.00 C ATOM 0 H THR A 80 16.180 -5.802 -1.994 1.00 0.00 H new ATOM 0 HA THR A 80 16.021 -3.159 -1.463 1.00 0.00 H new ATOM 0 HB THR A 80 13.500 -3.530 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.096 -5.513 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.360 -4.349 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.682 -3.175 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.045 -4.914 -3.593 1.00 0.00 H new ATOM 1234 N LYS A 81 15.042 -4.904 1.176 1.00 0.00 N ATOM 1235 CA LYS A 81 14.801 -4.828 2.612 1.00 0.00 C ATOM 1236 C LYS A 81 15.888 -4.010 3.303 1.00 0.00 C ATOM 1237 O LYS A 81 15.598 -3.154 4.140 1.00 0.00 O ATOM 1238 CB LYS A 81 14.743 -6.232 3.216 1.00 0.00 C ATOM 1239 CG LYS A 81 14.595 -6.239 4.728 1.00 0.00 C ATOM 1240 CD LYS A 81 15.946 -6.183 5.421 1.00 0.00 C ATOM 1241 CE LYS A 81 15.842 -6.603 6.879 1.00 0.00 C ATOM 1242 NZ LYS A 81 17.181 -6.711 7.522 1.00 0.00 N ATOM 0 H LYS A 81 14.974 -5.844 0.787 1.00 0.00 H new ATOM 0 HA LYS A 81 13.843 -4.333 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.906 -6.774 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.650 -6.772 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.990 -5.387 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.063 -7.138 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.649 -6.835 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.346 -5.171 5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.235 -5.879 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.329 -7.563 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.067 -6.999 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.752 -7.420 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.661 -5.789 7.482 1.00 0.00 H new ATOM 1256 N LYS A 82 17.139 -4.277 2.947 1.00 0.00 N ATOM 1257 CA LYS A 82 18.270 -3.564 3.530 1.00 0.00 C ATOM 1258 C LYS A 82 18.220 -2.082 3.174 1.00 0.00 C ATOM 1259 O LYS A 82 18.383 -1.220 4.038 1.00 0.00 O ATOM 1260 CB LYS A 82 19.588 -4.172 3.044 1.00 0.00 C ATOM 1261 CG LYS A 82 20.819 -3.472 3.591 1.00 0.00 C ATOM 1262 CD LYS A 82 22.097 -4.166 3.152 1.00 0.00 C ATOM 1263 CE LYS A 82 23.254 -3.186 3.039 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.894 -2.929 4.359 1.00 0.00 N ATOM 0 H LYS A 82 17.396 -4.983 2.257 1.00 0.00 H new ATOM 0 HA LYS A 82 18.210 -3.662 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.621 -5.223 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.615 -4.137 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.831 -2.437 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.772 -3.449 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.351 -4.949 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.936 -4.652 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.997 -3.580 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.894 -2.246 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.678 -2.256 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.191 -2.529 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.260 -3.822 4.747 1.00 0.00 H new ATOM 1278 N LYS A 83 17.993 -1.791 1.898 1.00 0.00 N ATOM 1279 CA LYS A 83 17.919 -0.413 1.428 1.00 0.00 C ATOM 1280 C LYS A 83 16.981 0.411 2.305 1.00 0.00 C ATOM 1281 O LYS A 83 17.373 1.443 2.851 1.00 0.00 O ATOM 1282 CB LYS A 83 17.442 -0.373 -0.025 1.00 0.00 C ATOM 1283 CG LYS A 83 18.552 -0.607 -1.036 1.00 0.00 C ATOM 1284 CD LYS A 83 19.272 -1.920 -0.780 1.00 0.00 C ATOM 1285 CE LYS A 83 20.432 -2.117 -1.743 1.00 0.00 C ATOM 1286 NZ LYS A 83 21.669 -1.437 -1.268 1.00 0.00 N ATOM 0 H LYS A 83 17.857 -2.492 1.170 1.00 0.00 H new ATOM 0 HA LYS A 83 18.918 0.019 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.669 -1.128 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 83 16.982 0.595 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.134 -0.611 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.266 0.215 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.642 -1.939 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.569 -2.747 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.627 -3.183 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.159 -1.730 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.436 -1.595 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.491 -0.416 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.945 -1.824 -0.343 1.00 0.00 H new ATOM 1300 N TYR A 84 15.743 -0.051 2.436 1.00 0.00 N ATOM 1301 CA TYR A 84 14.749 0.644 3.245 1.00 0.00 C ATOM 1302 C TYR A 84 15.369 1.170 4.536 1.00 0.00 C ATOM 1303 O TYR A 84 15.362 2.373 4.796 1.00 0.00 O ATOM 1304 CB TYR A 84 13.582 -0.290 3.571 1.00 0.00 C ATOM 1305 CG TYR A 84 12.397 0.415 4.191 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.797 1.495 3.556 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.878 0.002 5.411 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.714 2.143 4.118 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.795 0.643 5.980 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.216 1.713 5.330 1.00 0.00 C ATOM 1311 OH TYR A 84 9.138 2.355 5.895 1.00 0.00 O ATOM 0 H TYR A 84 15.403 -0.904 1.992 1.00 0.00 H new ATOM 0 HA TYR A 84 14.378 1.492 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.260 -0.788 2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.929 -1.067 4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.184 1.834 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.329 -0.835 5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.260 2.982 3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.403 0.308 6.929 1.00 0.00 H new ATOM 0 HH TYR A 84 8.569 2.723 5.187 1.00 0.00 H new ATOM 1321 N ASP A 85 15.906 0.259 5.341 1.00 0.00 N ATOM 1322 CA ASP A 85 16.533 0.630 6.604 1.00 0.00 C ATOM 1323 C ASP A 85 17.347 1.911 6.452 1.00 0.00 C ATOM 1324 O ASP A 85 17.070 2.917 7.106 1.00 0.00 O ATOM 1325 CB ASP A 85 17.430 -0.503 7.105 1.00 0.00 C ATOM 1326 CG ASP A 85 17.595 -0.488 8.612 1.00 0.00 C ATOM 1327 OD1 ASP A 85 18.453 0.272 9.107 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.865 -1.236 9.296 1.00 0.00 O ATOM 0 H ASP A 85 15.919 -0.741 5.141 1.00 0.00 H new ATOM 0 HA ASP A 85 15.744 0.808 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.007 -1.460 6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.410 -0.422 6.634 1.00 0.00 H new ATOM 1333 N LEU A 86 18.354 1.866 5.586 1.00 0.00 N ATOM 1334 CA LEU A 86 19.210 3.022 5.348 1.00 0.00 C ATOM 1335 C LEU A 86 18.383 4.238 4.943 1.00 0.00 C ATOM 1336 O LEU A 86 18.561 5.329 5.484 1.00 0.00 O ATOM 1337 CB LEU A 86 20.238 2.705 4.260 1.00 0.00 C ATOM 1338 CG LEU A 86 21.396 1.797 4.675 1.00 0.00 C ATOM 1339 CD1 LEU A 86 22.187 2.427 5.811 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.879 0.425 5.079 1.00 0.00 C ATOM 0 H LEU A 86 18.597 1.041 5.037 1.00 0.00 H new ATOM 0 HA LEU A 86 19.732 3.254 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.719 2.239 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.652 3.645 3.895 1.00 0.00 H new ATOM 0 HG LEU A 86 22.062 1.675 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 86 23.007 1.767 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.589 3.387 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.532 2.580 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.717 -0.208 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.192 0.528 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.357 -0.030 4.237 1.00 0.00 H new ATOM 1352 N GLN A 87 17.478 4.041 3.989 1.00 0.00 N ATOM 1353 CA GLN A 87 16.623 5.122 3.514 1.00 0.00 C ATOM 1354 C GLN A 87 15.998 5.877 4.683 1.00 0.00 C ATOM 1355 O GLN A 87 16.173 7.088 4.817 1.00 0.00 O ATOM 1356 CB GLN A 87 15.525 4.569 2.603 1.00 0.00 C ATOM 1357 CG GLN A 87 15.950 4.434 1.150 1.00 0.00 C ATOM 1358 CD GLN A 87 16.306 5.767 0.520 1.00 0.00 C ATOM 1359 OE1 GLN A 87 17.393 5.933 -0.034 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.391 6.724 0.603 1.00 0.00 N ATOM 0 H GLN A 87 17.318 3.144 3.531 1.00 0.00 H new ATOM 0 HA GLN A 87 17.241 5.817 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.214 3.592 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.655 5.223 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.809 3.766 1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.144 3.971 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.504 6.542 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.575 7.642 0.198 1.00 0.00 H new ATOM 1369 N ARG A 88 15.269 5.153 5.526 1.00 0.00 N ATOM 1370 CA ARG A 88 14.617 5.755 6.683 1.00 0.00 C ATOM 1371 C ARG A 88 15.466 6.885 7.258 1.00 0.00 C ATOM 1372 O ARG A 88 16.661 6.717 7.498 1.00 0.00 O ATOM 1373 CB ARG A 88 14.361 4.697 7.758 1.00 0.00 C ATOM 1374 CG ARG A 88 13.634 3.466 7.240 1.00 0.00 C ATOM 1375 CD ARG A 88 13.066 2.634 8.380 1.00 0.00 C ATOM 1376 NE ARG A 88 14.058 1.719 8.936 1.00 0.00 N ATOM 1377 CZ ARG A 88 14.943 2.069 9.863 1.00 0.00 C ATOM 1378 NH1 ARG A 88 14.959 3.308 10.335 1.00 0.00 N ATOM 1379 NH2 ARG A 88 15.814 1.178 10.320 1.00 0.00 N ATOM 0 H ARG A 88 15.115 4.149 5.430 1.00 0.00 H new ATOM 0 HA ARG A 88 13.663 6.170 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.314 4.391 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.776 5.143 8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.827 3.772 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.320 2.858 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.703 3.296 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.209 2.065 8.021 1.00 0.00 H new ATOM 0 HE ARG A 88 14.073 0.758 8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.291 3.995 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.640 3.574 11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.804 0.224 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.493 1.447 11.032 1.00 0.00 H new