USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 555 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 19 HIS : no HE2:sc= -2.98! C(o=-7.7!,f=-16!) USER MOD Set 1.2: A 66 CYS SG : rot 129:sc= -4.74! USER MOD Set 2.1: A 11 MET CE :methyl -151:sc= -0.143 (180deg=-1.51) USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= 0 F(o=-2!,f=-0.14) USER MOD Single : A 10 HIS : no HE2:sc= 0.912 K(o=0.91,f=-2.8!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.368 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 179:sc= 0.962 USER MOD Single : A 24 ASN : amide:sc= 1.07 K(o=1.1,f=-7.6!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc=-0.00679 (180deg=-0.169) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 33 MET CE :methyl 169:sc= -0.022 (180deg=-0.225) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.601 F(o=-1.2,f=-0.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0.495 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00112 USER MOD Single : A 46 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.061) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 55 SER OG : rot 66:sc= 1.22 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.714 X(o=-0.71,f=-0.55) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -0.592 (180deg=-1.41) USER MOD Single : A 67 GLN : amide:sc= -0.394! C(o=-0.39!,f=-10!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc=-0.000318 (180deg=-0.168) USER MOD Single : A 75 HIS : no HD1:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -0.121 (180deg=-0.806!) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= -0.0119 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 14.150 2.490 -4.350 1.00 51.01 N ATOM 147 CA HIS A 10 13.321 2.357 -5.568 1.00 14.31 C ATOM 148 C HIS A 10 11.853 1.990 -5.266 1.00 12.52 C ATOM 149 O HIS A 10 11.085 1.687 -6.180 1.00 63.14 O ATOM 150 CB HIS A 10 13.918 1.302 -6.507 1.00 64.30 C ATOM 151 CG HIS A 10 15.301 1.624 -6.988 1.00 51.13 C ATOM 152 ND1 HIS A 10 15.563 2.168 -8.226 1.00 23.13 N ATOM 153 CD2 HIS A 10 16.505 1.466 -6.394 1.00 33.13 C ATOM 154 CE1 HIS A 10 16.860 2.328 -8.372 1.00 23.21 C ATOM 155 NE2 HIS A 10 17.455 1.913 -7.275 1.00 63.53 N ATOM 0 HA HIS A 10 13.323 3.337 -6.045 1.00 14.31 H new ATOM 0 HB2 HIS A 10 13.938 0.342 -5.991 1.00 64.30 H new ATOM 0 HB3 HIS A 10 13.262 1.186 -7.370 1.00 64.30 H new ATOM 0 HD1 HIS A 10 14.859 2.410 -8.923 1.00 23.13 H new ATOM 0 HD2 HIS A 10 16.685 1.063 -5.408 1.00 33.13 H new ATOM 0 HE1 HIS A 10 17.353 2.731 -9.244 1.00 23.21 H new ATOM 164 N MET A 11 11.470 2.006 -3.993 1.00 42.25 N ATOM 165 CA MET A 11 10.077 1.770 -3.598 1.00 60.24 C ATOM 166 C MET A 11 9.216 3.032 -3.801 1.00 32.41 C ATOM 167 O MET A 11 8.005 2.940 -4.000 1.00 41.31 O ATOM 168 CB MET A 11 10.020 1.308 -2.134 1.00 72.34 C ATOM 169 CG MET A 11 8.616 0.986 -1.631 1.00 73.21 C ATOM 170 SD MET A 11 8.629 0.268 0.025 1.00 44.34 S ATOM 171 CE MET A 11 9.465 -1.285 -0.286 1.00 31.21 C ATOM 0 H MET A 11 12.103 2.180 -3.212 1.00 42.25 H new ATOM 0 HA MET A 11 9.668 0.986 -4.235 1.00 60.24 H new ATOM 0 HB2 MET A 11 10.646 0.423 -2.020 1.00 72.34 H new ATOM 0 HB3 MET A 11 10.450 2.086 -1.503 1.00 72.34 H new ATOM 0 HG2 MET A 11 8.017 1.897 -1.625 1.00 73.21 H new ATOM 0 HG3 MET A 11 8.135 0.293 -2.321 1.00 73.21 H new ATOM 0 HE1 MET A 11 9.122 -2.032 0.429 1.00 31.21 H new ATOM 0 HE2 MET A 11 9.242 -1.622 -1.298 1.00 31.21 H new ATOM 0 HE3 MET A 11 10.541 -1.147 -0.179 1.00 31.21 H new ATOM 181 N LEU A 12 9.848 4.209 -3.758 1.00 74.13 N ATOM 182 CA LEU A 12 9.133 5.480 -3.950 1.00 23.35 C ATOM 183 C LEU A 12 8.529 5.599 -5.370 1.00 32.33 C ATOM 184 O LEU A 12 7.381 6.029 -5.517 1.00 1.32 O ATOM 185 CB LEU A 12 10.054 6.676 -3.653 1.00 41.21 C ATOM 186 CG LEU A 12 10.591 6.749 -2.213 1.00 43.55 C ATOM 187 CD1 LEU A 12 11.462 7.989 -2.024 1.00 41.52 C ATOM 188 CD2 LEU A 12 9.443 6.735 -1.203 1.00 65.24 C ATOM 0 H LEU A 12 10.849 4.311 -3.593 1.00 74.13 H new ATOM 0 HA LEU A 12 8.305 5.492 -3.242 1.00 23.35 H new ATOM 0 HB2 LEU A 12 10.901 6.640 -4.338 1.00 41.21 H new ATOM 0 HB3 LEU A 12 9.509 7.595 -3.867 1.00 41.21 H new ATOM 0 HG LEU A 12 11.208 5.868 -2.036 1.00 43.55 H new ATOM 0 HD11 LEU A 12 11.831 8.021 -0.999 1.00 41.52 H new ATOM 0 HD12 LEU A 12 12.306 7.949 -2.713 1.00 41.52 H new ATOM 0 HD13 LEU A 12 10.871 8.883 -2.225 1.00 41.52 H new ATOM 0 HD21 LEU A 12 9.847 6.787 -0.192 1.00 65.24 H new ATOM 0 HD22 LEU A 12 8.793 7.592 -1.379 1.00 65.24 H new ATOM 0 HD23 LEU A 12 8.869 5.815 -1.317 1.00 65.24 H new ATOM 200 N PRO A 13 9.295 5.273 -6.443 1.00 3.32 N ATOM 201 CA PRO A 13 8.733 5.163 -7.801 1.00 73.51 C ATOM 202 C PRO A 13 7.991 3.828 -8.023 1.00 63.30 C ATOM 203 O PRO A 13 8.228 2.856 -7.303 1.00 74.32 O ATOM 204 CB PRO A 13 9.977 5.247 -8.695 1.00 44.20 C ATOM 205 CG PRO A 13 11.064 4.651 -7.869 1.00 20.44 C ATOM 206 CD PRO A 13 10.757 5.033 -6.441 1.00 72.41 C ATOM 0 HA PRO A 13 7.989 5.933 -8.005 1.00 73.51 H new ATOM 0 HB2 PRO A 13 9.837 4.696 -9.625 1.00 44.20 H new ATOM 0 HB3 PRO A 13 10.203 6.278 -8.966 1.00 44.20 H new ATOM 0 HG2 PRO A 13 11.094 3.568 -7.986 1.00 20.44 H new ATOM 0 HG3 PRO A 13 12.039 5.031 -8.174 1.00 20.44 H new ATOM 0 HD2 PRO A 13 11.030 4.238 -5.747 1.00 72.41 H new ATOM 0 HD3 PRO A 13 11.308 5.924 -6.138 1.00 72.41 H new ATOM 214 N PRO A 14 7.077 3.759 -9.017 1.00 45.30 N ATOM 215 CA PRO A 14 6.348 2.518 -9.349 1.00 41.04 C ATOM 216 C PRO A 14 7.248 1.472 -10.041 1.00 12.32 C ATOM 217 O PRO A 14 6.967 1.031 -11.160 1.00 3.41 O ATOM 218 CB PRO A 14 5.229 2.997 -10.306 1.00 1.03 C ATOM 219 CG PRO A 14 5.250 4.493 -10.236 1.00 22.40 C ATOM 220 CD PRO A 14 6.662 4.872 -9.884 1.00 11.25 C ATOM 0 HA PRO A 14 5.973 2.017 -8.456 1.00 41.04 H new ATOM 0 HB2 PRO A 14 5.409 2.650 -11.324 1.00 1.03 H new ATOM 0 HB3 PRO A 14 4.259 2.604 -10.002 1.00 1.03 H new ATOM 0 HG2 PRO A 14 4.954 4.932 -11.189 1.00 22.40 H new ATOM 0 HG3 PRO A 14 4.549 4.858 -9.485 1.00 22.40 H new ATOM 0 HD2 PRO A 14 7.293 4.956 -10.769 1.00 11.25 H new ATOM 0 HD3 PRO A 14 6.709 5.830 -9.367 1.00 11.25 H new ATOM 228 N GLU A 15 8.320 1.062 -9.359 1.00 51.44 N ATOM 229 CA GLU A 15 9.328 0.170 -9.950 1.00 73.11 C ATOM 230 C GLU A 15 9.332 -1.229 -9.295 1.00 32.41 C ATOM 231 O GLU A 15 8.807 -2.182 -9.866 1.00 62.31 O ATOM 232 CB GLU A 15 10.711 0.829 -9.848 1.00 72.41 C ATOM 233 CG GLU A 15 11.846 0.023 -10.474 1.00 44.54 C ATOM 234 CD GLU A 15 13.141 0.814 -10.585 1.00 32.14 C ATOM 235 OE1 GLU A 15 13.339 1.763 -9.800 1.00 4.54 O ATOM 236 OE2 GLU A 15 13.967 0.495 -11.465 1.00 53.22 O ATOM 0 H GLU A 15 8.515 1.333 -8.395 1.00 51.44 H new ATOM 0 HA GLU A 15 9.072 0.017 -10.998 1.00 73.11 H new ATOM 0 HB2 GLU A 15 10.669 1.807 -10.328 1.00 72.41 H new ATOM 0 HB3 GLU A 15 10.941 1.000 -8.796 1.00 72.41 H new ATOM 0 HG2 GLU A 15 12.022 -0.872 -9.877 1.00 44.54 H new ATOM 0 HG3 GLU A 15 11.544 -0.311 -11.467 1.00 44.54 H new ATOM 243 N GLN A 16 9.896 -1.349 -8.091 1.00 71.45 N ATOM 244 CA GLN A 16 10.016 -2.658 -7.414 1.00 3.21 C ATOM 245 C GLN A 16 8.695 -3.108 -6.757 1.00 54.15 C ATOM 246 O GLN A 16 8.700 -3.831 -5.755 1.00 63.21 O ATOM 247 CB GLN A 16 11.123 -2.605 -6.348 1.00 2.12 C ATOM 248 CG GLN A 16 10.908 -1.525 -5.289 1.00 23.23 C ATOM 249 CD GLN A 16 11.766 -1.730 -4.050 1.00 43.01 C ATOM 250 OE1 GLN A 16 12.995 -1.265 -4.090 1.00 13.44 O flip ATOM 251 NE2 GLN A 16 11.333 -2.332 -3.072 1.00 74.23 N flip ATOM 0 H GLN A 16 10.277 -0.565 -7.561 1.00 71.45 H new ATOM 0 HA GLN A 16 10.269 -3.388 -8.183 1.00 3.21 H new ATOM 0 HB2 GLN A 16 11.187 -3.575 -5.856 1.00 2.12 H new ATOM 0 HB3 GLN A 16 12.080 -2.433 -6.840 1.00 2.12 H new ATOM 0 HG2 GLN A 16 11.131 -0.550 -5.722 1.00 23.23 H new ATOM 0 HG3 GLN A 16 9.857 -1.512 -4.999 1.00 23.23 H new ATOM 0 HE21 GLN A 16 10.375 -2.681 -3.071 1.00 74.23 H new ATOM 0 HE22 GLN A 16 11.932 -2.483 -2.260 1.00 74.23 H new ATOM 260 N TRP A 17 7.565 -2.721 -7.339 1.00 55.34 N ATOM 261 CA TRP A 17 6.259 -3.017 -6.748 1.00 51.13 C ATOM 262 C TRP A 17 5.711 -4.382 -7.186 1.00 75.43 C ATOM 263 O TRP A 17 5.065 -4.506 -8.227 1.00 21.42 O ATOM 264 CB TRP A 17 5.261 -1.902 -7.078 1.00 33.33 C ATOM 265 CG TRP A 17 5.552 -0.626 -6.344 1.00 1.03 C ATOM 266 CD1 TRP A 17 6.512 0.297 -6.643 1.00 21.22 C ATOM 267 CD2 TRP A 17 4.881 -0.142 -5.177 1.00 24.41 C ATOM 268 NE1 TRP A 17 6.476 1.324 -5.733 1.00 3.33 N ATOM 269 CE2 TRP A 17 5.482 1.079 -4.826 1.00 71.34 C ATOM 270 CE3 TRP A 17 3.826 -0.622 -4.397 1.00 44.33 C ATOM 271 CZ2 TRP A 17 5.066 1.826 -3.729 1.00 41.43 C ATOM 272 CZ3 TRP A 17 3.414 0.120 -3.307 1.00 44.02 C ATOM 273 CH2 TRP A 17 4.032 1.334 -2.983 1.00 31.30 C ATOM 0 H TRP A 17 7.524 -2.203 -8.217 1.00 55.34 H new ATOM 0 HA TRP A 17 6.398 -3.065 -5.668 1.00 51.13 H new ATOM 0 HB2 TRP A 17 5.278 -1.711 -8.151 1.00 33.33 H new ATOM 0 HB3 TRP A 17 4.254 -2.237 -6.830 1.00 33.33 H new ATOM 0 HD1 TRP A 17 7.199 0.229 -7.474 1.00 21.22 H new ATOM 0 HE1 TRP A 17 7.091 2.138 -5.733 1.00 3.33 H new ATOM 0 HE3 TRP A 17 3.342 -1.556 -4.642 1.00 44.33 H new ATOM 0 HZ2 TRP A 17 5.543 2.761 -3.476 1.00 41.43 H new ATOM 0 HZ3 TRP A 17 2.602 -0.242 -2.694 1.00 44.02 H new ATOM 0 HH2 TRP A 17 3.685 1.893 -2.126 1.00 31.30 H new ATOM 284 N SER A 18 6.003 -5.410 -6.390 1.00 61.43 N ATOM 285 CA SER A 18 5.402 -6.739 -6.573 1.00 71.32 C ATOM 286 C SER A 18 4.234 -6.938 -5.601 1.00 23.54 C ATOM 287 O SER A 18 3.948 -6.066 -4.777 1.00 11.23 O ATOM 288 CB SER A 18 6.448 -7.844 -6.351 1.00 34.41 C ATOM 289 OG SER A 18 5.857 -9.135 -6.440 1.00 25.41 O ATOM 0 H SER A 18 6.655 -5.351 -5.608 1.00 61.43 H new ATOM 0 HA SER A 18 5.032 -6.802 -7.596 1.00 71.32 H new ATOM 0 HB2 SER A 18 7.241 -7.752 -7.093 1.00 34.41 H new ATOM 0 HB3 SER A 18 6.911 -7.719 -5.372 1.00 34.41 H new ATOM 0 HG SER A 18 6.543 -9.820 -6.297 1.00 25.41 H new ATOM 295 N HIS A 19 3.571 -8.091 -5.682 1.00 14.25 N ATOM 296 CA HIS A 19 2.452 -8.398 -4.781 1.00 63.41 C ATOM 297 C HIS A 19 2.888 -8.312 -3.308 1.00 2.11 C ATOM 298 O HIS A 19 2.151 -7.810 -2.459 1.00 12.41 O ATOM 299 CB HIS A 19 1.872 -9.788 -5.085 1.00 33.02 C ATOM 300 CG HIS A 19 1.290 -9.916 -6.465 1.00 14.32 C ATOM 301 ND1 HIS A 19 0.073 -9.375 -6.823 1.00 70.13 N ATOM 302 CD2 HIS A 19 1.765 -10.524 -7.580 1.00 13.31 C ATOM 303 CE1 HIS A 19 -0.175 -9.643 -8.089 1.00 65.13 C ATOM 304 NE2 HIS A 19 0.833 -10.336 -8.573 1.00 43.32 N ATOM 0 H HIS A 19 3.785 -8.826 -6.356 1.00 14.25 H new ATOM 0 HA HIS A 19 1.675 -7.653 -4.951 1.00 63.41 H new ATOM 0 HB2 HIS A 19 2.657 -10.534 -4.962 1.00 33.02 H new ATOM 0 HB3 HIS A 19 1.098 -10.016 -4.352 1.00 33.02 H new ATOM 0 HD1 HIS A 19 -0.541 -8.848 -6.202 1.00 70.13 H new ATOM 0 HD2 HIS A 19 2.700 -11.056 -7.671 1.00 13.31 H new ATOM 0 HE1 HIS A 19 -1.057 -9.344 -8.637 1.00 65.13 H new ATOM 313 N THR A 20 4.099 -8.789 -3.018 1.00 12.01 N ATOM 314 CA THR A 20 4.665 -8.714 -1.664 1.00 34.12 C ATOM 315 C THR A 20 4.855 -7.257 -1.213 1.00 42.32 C ATOM 316 O THR A 20 4.509 -6.889 -0.086 1.00 4.41 O ATOM 317 CB THR A 20 6.028 -9.447 -1.586 1.00 22.23 C ATOM 318 OG1 THR A 20 5.884 -10.798 -2.045 1.00 40.22 O ATOM 319 CG2 THR A 20 6.579 -9.456 -0.163 1.00 41.21 C ATOM 0 H THR A 20 4.711 -9.233 -3.702 1.00 12.01 H new ATOM 0 HA THR A 20 3.953 -9.202 -0.999 1.00 34.12 H new ATOM 0 HB THR A 20 6.730 -8.909 -2.223 1.00 22.23 H new ATOM 0 HG1 THR A 20 6.750 -11.255 -1.995 1.00 40.22 H new ATOM 0 HG21 THR A 20 7.536 -9.978 -0.147 1.00 41.21 H new ATOM 0 HG22 THR A 20 6.719 -8.431 0.179 1.00 41.21 H new ATOM 0 HG23 THR A 20 5.876 -9.965 0.496 1.00 41.21 H new ATOM 327 N THR A 21 5.403 -6.428 -2.105 1.00 2.44 N ATOM 328 CA THR A 21 5.624 -5.003 -1.817 1.00 42.32 C ATOM 329 C THR A 21 4.311 -4.308 -1.435 1.00 32.24 C ATOM 330 O THR A 21 4.226 -3.631 -0.409 1.00 10.34 O ATOM 331 CB THR A 21 6.242 -4.263 -3.033 1.00 54.15 C ATOM 332 OG1 THR A 21 7.432 -4.936 -3.475 1.00 5.13 O ATOM 333 CG2 THR A 21 6.581 -2.812 -2.690 1.00 32.23 C ATOM 0 H THR A 21 5.703 -6.717 -3.036 1.00 2.44 H new ATOM 0 HA THR A 21 6.321 -4.958 -0.980 1.00 42.32 H new ATOM 0 HB THR A 21 5.499 -4.267 -3.831 1.00 54.15 H new ATOM 0 HG1 THR A 21 7.800 -4.471 -4.255 1.00 5.13 H new ATOM 0 HG21 THR A 21 7.012 -2.323 -3.564 1.00 32.23 H new ATOM 0 HG22 THR A 21 5.674 -2.287 -2.391 1.00 32.23 H new ATOM 0 HG23 THR A 21 7.300 -2.790 -1.871 1.00 32.23 H new ATOM 341 N VAL A 22 3.286 -4.496 -2.266 1.00 3.13 N ATOM 342 CA VAL A 22 1.963 -3.910 -2.022 1.00 63.22 C ATOM 343 C VAL A 22 1.343 -4.428 -0.711 1.00 61.45 C ATOM 344 O VAL A 22 0.763 -3.660 0.059 1.00 35.31 O ATOM 345 CB VAL A 22 1.003 -4.206 -3.201 1.00 14.15 C ATOM 346 CG1 VAL A 22 -0.383 -3.619 -2.944 1.00 72.53 C ATOM 347 CG2 VAL A 22 1.587 -3.675 -4.510 1.00 13.12 C ATOM 0 H VAL A 22 3.345 -5.052 -3.119 1.00 3.13 H new ATOM 0 HA VAL A 22 2.103 -2.833 -1.934 1.00 63.22 H new ATOM 0 HB VAL A 22 0.893 -5.287 -3.287 1.00 14.15 H new ATOM 0 HG11 VAL A 22 -1.035 -3.843 -3.788 1.00 72.53 H new ATOM 0 HG12 VAL A 22 -0.801 -4.056 -2.037 1.00 72.53 H new ATOM 0 HG13 VAL A 22 -0.304 -2.539 -2.823 1.00 72.53 H new ATOM 0 HG21 VAL A 22 0.901 -3.891 -5.329 1.00 13.12 H new ATOM 0 HG22 VAL A 22 1.732 -2.597 -4.433 1.00 13.12 H new ATOM 0 HG23 VAL A 22 2.545 -4.157 -4.703 1.00 13.12 H new ATOM 357 N ARG A 23 1.480 -5.732 -0.462 1.00 73.02 N ATOM 358 CA ARG A 23 0.982 -6.348 0.777 1.00 50.24 C ATOM 359 C ARG A 23 1.546 -5.636 2.019 1.00 24.01 C ATOM 360 O ARG A 23 0.805 -5.251 2.928 1.00 64.13 O ATOM 361 CB ARG A 23 1.380 -7.830 0.827 1.00 64.31 C ATOM 362 CG ARG A 23 0.779 -8.593 2.005 1.00 2.02 C ATOM 363 CD ARG A 23 1.549 -9.875 2.303 1.00 5.11 C ATOM 364 NE ARG A 23 2.892 -9.592 2.813 1.00 14.03 N ATOM 365 CZ ARG A 23 3.641 -10.461 3.438 1.00 51.43 C ATOM 366 NH1 ARG A 23 3.233 -11.674 3.628 1.00 0.31 N ATOM 367 NH2 ARG A 23 4.804 -10.108 3.880 1.00 34.40 N ATOM 0 H ARG A 23 1.932 -6.386 -1.101 1.00 73.02 H new ATOM 0 HA ARG A 23 -0.104 -6.254 0.780 1.00 50.24 H new ATOM 0 HB2 ARG A 23 1.070 -8.311 -0.101 1.00 64.31 H new ATOM 0 HB3 ARG A 23 2.466 -7.903 0.876 1.00 64.31 H new ATOM 0 HG2 ARG A 23 0.779 -7.955 2.889 1.00 2.02 H new ATOM 0 HG3 ARG A 23 -0.261 -8.836 1.788 1.00 2.02 H new ATOM 0 HD2 ARG A 23 0.999 -10.468 3.034 1.00 5.11 H new ATOM 0 HD3 ARG A 23 1.623 -10.475 1.396 1.00 5.11 H new ATOM 0 HE ARG A 23 3.268 -8.654 2.671 1.00 14.03 H new ATOM 0 HH11 ARG A 23 2.316 -11.963 3.288 1.00 0.31 H new ATOM 0 HH12 ARG A 23 3.829 -12.342 4.118 1.00 0.31 H new ATOM 0 HH21 ARG A 23 5.134 -9.153 3.740 1.00 34.40 H new ATOM 0 HH22 ARG A 23 5.391 -10.784 4.368 1.00 34.40 H new ATOM 381 N ASN A 24 2.869 -5.472 2.048 1.00 51.43 N ATOM 382 CA ASN A 24 3.550 -4.813 3.168 1.00 1.14 C ATOM 383 C ASN A 24 3.218 -3.311 3.224 1.00 55.12 C ATOM 384 O ASN A 24 3.104 -2.730 4.304 1.00 22.54 O ATOM 385 CB ASN A 24 5.066 -5.018 3.051 1.00 55.10 C ATOM 386 CG ASN A 24 5.451 -6.489 2.979 1.00 71.42 C ATOM 387 OD1 ASN A 24 4.761 -7.357 3.505 1.00 74.22 O ATOM 388 ND2 ASN A 24 6.556 -6.783 2.322 1.00 70.40 N ATOM 0 H ASN A 24 3.494 -5.787 1.306 1.00 51.43 H new ATOM 0 HA ASN A 24 3.195 -5.266 4.094 1.00 1.14 H new ATOM 0 HB2 ASN A 24 5.431 -4.506 2.161 1.00 55.10 H new ATOM 0 HB3 ASN A 24 5.559 -4.558 3.908 1.00 55.10 H new ATOM 0 HD21 ASN A 24 6.858 -7.754 2.241 1.00 70.40 H new ATOM 0 HD22 ASN A 24 7.109 -6.040 1.895 1.00 70.40 H new ATOM 395 N ALA A 25 3.060 -2.692 2.056 1.00 73.22 N ATOM 396 CA ALA A 25 2.682 -1.275 1.969 1.00 75.12 C ATOM 397 C ALA A 25 1.277 -1.033 2.552 1.00 1.33 C ATOM 398 O ALA A 25 1.022 -0.009 3.191 1.00 4.21 O ATOM 399 CB ALA A 25 2.745 -0.802 0.521 1.00 63.21 C ATOM 0 H ALA A 25 3.187 -3.147 1.152 1.00 73.22 H new ATOM 0 HA ALA A 25 3.393 -0.699 2.562 1.00 75.12 H new ATOM 0 HB1 ALA A 25 2.463 0.250 0.469 1.00 63.21 H new ATOM 0 HB2 ALA A 25 3.760 -0.925 0.142 1.00 63.21 H new ATOM 0 HB3 ALA A 25 2.058 -1.392 -0.085 1.00 63.21 H new ATOM 405 N LEU A 26 0.373 -1.988 2.330 1.00 32.34 N ATOM 406 CA LEU A 26 -0.985 -1.915 2.878 1.00 54.11 C ATOM 407 C LEU A 26 -0.938 -1.837 4.414 1.00 51.11 C ATOM 408 O LEU A 26 -1.573 -0.976 5.021 1.00 30.41 O ATOM 409 CB LEU A 26 -1.806 -3.133 2.404 1.00 50.31 C ATOM 410 CG LEU A 26 -3.334 -3.072 2.652 1.00 0.32 C ATOM 411 CD1 LEU A 26 -4.063 -4.052 1.735 1.00 64.20 C ATOM 412 CD2 LEU A 26 -3.682 -3.371 4.112 1.00 54.11 C ATOM 0 H LEU A 26 0.556 -2.823 1.774 1.00 32.34 H new ATOM 0 HA LEU A 26 -1.472 -1.011 2.514 1.00 54.11 H new ATOM 0 HB2 LEU A 26 -1.638 -3.263 1.335 1.00 50.31 H new ATOM 0 HB3 LEU A 26 -1.415 -4.022 2.898 1.00 50.31 H new ATOM 0 HG LEU A 26 -3.660 -2.056 2.428 1.00 0.32 H new ATOM 0 HD11 LEU A 26 -5.135 -3.996 1.922 1.00 64.20 H new ATOM 0 HD12 LEU A 26 -3.862 -3.795 0.695 1.00 64.20 H new ATOM 0 HD13 LEU A 26 -3.712 -5.065 1.933 1.00 64.20 H new ATOM 0 HD21 LEU A 26 -4.762 -3.319 4.247 1.00 54.11 H new ATOM 0 HD22 LEU A 26 -3.332 -4.370 4.372 1.00 54.11 H new ATOM 0 HD23 LEU A 26 -3.200 -2.638 4.758 1.00 54.11 H new ATOM 424 N LYS A 27 -0.169 -2.735 5.035 1.00 41.53 N ATOM 425 CA LYS A 27 0.015 -2.724 6.494 1.00 4.13 C ATOM 426 C LYS A 27 0.730 -1.442 6.957 1.00 74.45 C ATOM 427 O LYS A 27 0.417 -0.888 8.013 1.00 33.53 O ATOM 428 CB LYS A 27 0.810 -3.961 6.946 1.00 62.02 C ATOM 429 CG LYS A 27 0.069 -5.286 6.756 1.00 45.23 C ATOM 430 CD LYS A 27 -1.229 -5.335 7.566 1.00 2.33 C ATOM 431 CE LYS A 27 -1.910 -6.702 7.485 1.00 44.43 C ATOM 432 NZ LYS A 27 -1.090 -7.771 8.116 1.00 10.04 N ATOM 0 H LYS A 27 0.337 -3.479 4.554 1.00 41.53 H new ATOM 0 HA LYS A 27 -0.973 -2.749 6.953 1.00 4.13 H new ATOM 0 HB2 LYS A 27 1.748 -3.999 6.391 1.00 62.02 H new ATOM 0 HB3 LYS A 27 1.067 -3.849 7.999 1.00 62.02 H new ATOM 0 HG2 LYS A 27 -0.157 -5.427 5.699 1.00 45.23 H new ATOM 0 HG3 LYS A 27 0.716 -6.110 7.057 1.00 45.23 H new ATOM 0 HD2 LYS A 27 -1.014 -5.100 8.608 1.00 2.33 H new ATOM 0 HD3 LYS A 27 -1.912 -4.568 7.201 1.00 2.33 H new ATOM 0 HE2 LYS A 27 -2.882 -6.653 7.976 1.00 44.43 H new ATOM 0 HE3 LYS A 27 -2.093 -6.954 6.441 1.00 44.43 H new ATOM 0 HZ1 LYS A 27 -1.664 -8.631 8.223 1.00 10.04 H new ATOM 0 HZ2 LYS A 27 -0.266 -7.977 7.515 1.00 10.04 H new ATOM 0 HZ3 LYS A 27 -0.765 -7.453 9.051 1.00 10.04 H new ATOM 446 N ASP A 28 1.686 -0.981 6.152 1.00 73.12 N ATOM 447 CA ASP A 28 2.432 0.252 6.437 1.00 24.44 C ATOM 448 C ASP A 28 1.479 1.461 6.570 1.00 33.45 C ATOM 449 O ASP A 28 1.645 2.304 7.457 1.00 40.13 O ATOM 450 CB ASP A 28 3.460 0.494 5.321 1.00 51.11 C ATOM 451 CG ASP A 28 4.451 1.601 5.650 1.00 42.43 C ATOM 452 OD1 ASP A 28 4.118 2.785 5.452 1.00 73.52 O ATOM 453 OD2 ASP A 28 5.578 1.288 6.099 1.00 61.50 O ATOM 0 H ASP A 28 1.967 -1.445 5.288 1.00 73.12 H new ATOM 0 HA ASP A 28 2.951 0.137 7.388 1.00 24.44 H new ATOM 0 HB2 ASP A 28 4.006 -0.430 5.132 1.00 51.11 H new ATOM 0 HB3 ASP A 28 2.935 0.747 4.400 1.00 51.11 H new ATOM 458 N LEU A 29 0.480 1.531 5.688 1.00 42.23 N ATOM 459 CA LEU A 29 -0.528 2.600 5.731 1.00 42.24 C ATOM 460 C LEU A 29 -1.604 2.325 6.799 1.00 0.14 C ATOM 461 O LEU A 29 -2.058 3.242 7.487 1.00 1.55 O ATOM 462 CB LEU A 29 -1.181 2.768 4.351 1.00 4.33 C ATOM 463 CG LEU A 29 -0.216 3.140 3.213 1.00 74.25 C ATOM 464 CD1 LEU A 29 -0.967 3.278 1.893 1.00 21.34 C ATOM 465 CD2 LEU A 29 0.545 4.426 3.540 1.00 61.24 C ATOM 0 H LEU A 29 0.345 0.860 4.932 1.00 42.23 H new ATOM 0 HA LEU A 29 -0.020 3.525 6.003 1.00 42.24 H new ATOM 0 HB2 LEU A 29 -1.685 1.838 4.089 1.00 4.33 H new ATOM 0 HB3 LEU A 29 -1.949 3.538 4.421 1.00 4.33 H new ATOM 0 HG LEU A 29 0.511 2.335 3.110 1.00 74.25 H new ATOM 0 HD11 LEU A 29 -0.266 3.542 1.101 1.00 21.34 H new ATOM 0 HD12 LEU A 29 -1.451 2.332 1.649 1.00 21.34 H new ATOM 0 HD13 LEU A 29 -1.722 4.059 1.984 1.00 21.34 H new ATOM 0 HD21 LEU A 29 1.221 4.667 2.720 1.00 61.24 H new ATOM 0 HD22 LEU A 29 -0.163 5.243 3.679 1.00 61.24 H new ATOM 0 HD23 LEU A 29 1.121 4.285 4.455 1.00 61.24 H new ATOM 477 N LEU A 30 -1.999 1.058 6.937 1.00 64.41 N ATOM 478 CA LEU A 30 -2.977 0.644 7.958 1.00 75.31 C ATOM 479 C LEU A 30 -2.501 1.036 9.370 1.00 41.14 C ATOM 480 O LEU A 30 -3.300 1.248 10.282 1.00 65.11 O ATOM 481 CB LEU A 30 -3.197 -0.875 7.875 1.00 3.25 C ATOM 482 CG LEU A 30 -4.299 -1.441 8.791 1.00 51.22 C ATOM 483 CD1 LEU A 30 -5.671 -0.888 8.407 1.00 34.31 C ATOM 484 CD2 LEU A 30 -4.303 -2.971 8.748 1.00 22.15 C ATOM 0 H LEU A 30 -1.658 0.294 6.354 1.00 64.41 H new ATOM 0 HA LEU A 30 -3.919 1.158 7.766 1.00 75.31 H new ATOM 0 HB2 LEU A 30 -3.439 -1.133 6.844 1.00 3.25 H new ATOM 0 HB3 LEU A 30 -2.258 -1.373 8.116 1.00 3.25 H new ATOM 0 HG LEU A 30 -4.083 -1.125 9.812 1.00 51.22 H new ATOM 0 HD11 LEU A 30 -6.430 -1.304 9.070 1.00 34.31 H new ATOM 0 HD12 LEU A 30 -5.665 0.198 8.500 1.00 34.31 H new ATOM 0 HD13 LEU A 30 -5.899 -1.163 7.377 1.00 34.31 H new ATOM 0 HD21 LEU A 30 -5.088 -3.351 9.401 1.00 22.15 H new ATOM 0 HD22 LEU A 30 -4.487 -3.306 7.727 1.00 22.15 H new ATOM 0 HD23 LEU A 30 -3.337 -3.347 9.085 1.00 22.15 H new ATOM 496 N LYS A 31 -1.184 1.137 9.527 1.00 54.22 N ATOM 497 CA LYS A 31 -0.566 1.590 10.778 1.00 62.31 C ATOM 498 C LYS A 31 -1.100 2.969 11.229 1.00 11.02 C ATOM 499 O LYS A 31 -1.203 3.242 12.426 1.00 20.04 O ATOM 500 CB LYS A 31 0.960 1.632 10.589 1.00 72.50 C ATOM 501 CG LYS A 31 1.734 2.332 11.703 1.00 51.45 C ATOM 502 CD LYS A 31 3.247 2.168 11.533 1.00 21.10 C ATOM 503 CE LYS A 31 3.726 2.539 10.126 1.00 54.32 C ATOM 504 NZ LYS A 31 3.399 3.944 9.766 1.00 25.44 N ATOM 0 H LYS A 31 -0.513 0.908 8.794 1.00 54.22 H new ATOM 0 HA LYS A 31 -0.826 0.885 11.568 1.00 62.31 H new ATOM 0 HB2 LYS A 31 1.327 0.610 10.500 1.00 72.50 H new ATOM 0 HB3 LYS A 31 1.180 2.133 9.646 1.00 72.50 H new ATOM 0 HG2 LYS A 31 1.482 3.392 11.710 1.00 51.45 H new ATOM 0 HG3 LYS A 31 1.430 1.926 12.668 1.00 51.45 H new ATOM 0 HD2 LYS A 31 3.761 2.792 12.264 1.00 21.10 H new ATOM 0 HD3 LYS A 31 3.523 1.135 11.746 1.00 21.10 H new ATOM 0 HE2 LYS A 31 4.804 2.392 10.062 1.00 54.32 H new ATOM 0 HE3 LYS A 31 3.269 1.866 9.401 1.00 54.32 H new ATOM 0 HZ1 LYS A 31 3.744 4.146 8.806 1.00 25.44 H new ATOM 0 HZ2 LYS A 31 2.369 4.080 9.800 1.00 25.44 H new ATOM 0 HZ3 LYS A 31 3.856 4.591 10.441 1.00 25.44 H new ATOM 518 N ASP A 32 -1.456 3.824 10.267 1.00 31.34 N ATOM 519 CA ASP A 32 -1.936 5.184 10.569 1.00 41.33 C ATOM 520 C ASP A 32 -3.415 5.399 10.190 1.00 32.44 C ATOM 521 O ASP A 32 -3.942 6.505 10.340 1.00 42.12 O ATOM 522 CB ASP A 32 -1.067 6.215 9.836 1.00 23.50 C ATOM 523 CG ASP A 32 0.361 6.230 10.346 1.00 50.42 C ATOM 524 OD1 ASP A 32 1.149 5.341 9.964 1.00 4.41 O ATOM 525 OD2 ASP A 32 0.706 7.133 11.137 1.00 21.21 O ATOM 0 H ASP A 32 -1.423 3.603 9.272 1.00 31.34 H new ATOM 0 HA ASP A 32 -1.858 5.314 11.648 1.00 41.33 H new ATOM 0 HB2 ASP A 32 -1.067 5.994 8.769 1.00 23.50 H new ATOM 0 HB3 ASP A 32 -1.504 7.206 9.956 1.00 23.50 H new ATOM 530 N MET A 33 -4.093 4.353 9.717 1.00 71.11 N ATOM 531 CA MET A 33 -5.477 4.501 9.245 1.00 42.23 C ATOM 532 C MET A 33 -6.330 3.247 9.512 1.00 3.54 C ATOM 533 O MET A 33 -5.834 2.125 9.501 1.00 13.35 O ATOM 534 CB MET A 33 -5.481 4.840 7.745 1.00 24.54 C ATOM 535 CG MET A 33 -6.867 5.123 7.183 1.00 72.41 C ATOM 536 SD MET A 33 -7.755 6.380 8.128 1.00 75.54 S ATOM 537 CE MET A 33 -6.681 7.800 7.918 1.00 53.11 C ATOM 0 H MET A 33 -3.717 3.407 9.649 1.00 71.11 H new ATOM 0 HA MET A 33 -5.929 5.316 9.810 1.00 42.23 H new ATOM 0 HB2 MET A 33 -4.846 5.710 7.577 1.00 24.54 H new ATOM 0 HB3 MET A 33 -5.038 4.011 7.193 1.00 24.54 H new ATOM 0 HG2 MET A 33 -6.775 5.450 6.147 1.00 72.41 H new ATOM 0 HG3 MET A 33 -7.448 4.201 7.176 1.00 72.41 H new ATOM 0 HE1 MET A 33 -7.188 8.696 8.276 1.00 53.11 H new ATOM 0 HE2 MET A 33 -5.764 7.650 8.488 1.00 53.11 H new ATOM 0 HE3 MET A 33 -6.437 7.919 6.862 1.00 53.11 H new ATOM 547 N ASN A 34 -7.628 3.463 9.742 1.00 12.14 N ATOM 548 CA ASN A 34 -8.575 2.374 10.028 1.00 53.44 C ATOM 549 C ASN A 34 -9.028 1.654 8.745 1.00 12.22 C ATOM 550 O ASN A 34 -8.902 2.191 7.645 1.00 23.25 O ATOM 551 CB ASN A 34 -9.795 2.934 10.767 1.00 61.30 C ATOM 552 CG ASN A 34 -9.417 3.580 12.084 1.00 14.40 C ATOM 553 OD1 ASN A 34 -9.102 4.764 12.143 1.00 30.13 O ATOM 554 ND2 ASN A 34 -9.445 2.810 13.151 1.00 63.03 N ATOM 0 H ASN A 34 -8.053 4.390 9.736 1.00 12.14 H new ATOM 0 HA ASN A 34 -8.063 1.643 10.653 1.00 53.44 H new ATOM 0 HB2 ASN A 34 -10.296 3.667 10.135 1.00 61.30 H new ATOM 0 HB3 ASN A 34 -10.508 2.130 10.950 1.00 61.30 H new ATOM 0 HD21 ASN A 34 -9.200 3.194 14.064 1.00 63.03 H new ATOM 0 HD22 ASN A 34 -9.712 1.829 13.065 1.00 63.03 H new ATOM 561 N GLN A 35 -9.592 0.452 8.907 1.00 52.33 N ATOM 562 CA GLN A 35 -10.022 -0.387 7.771 1.00 65.14 C ATOM 563 C GLN A 35 -10.920 0.374 6.772 1.00 71.45 C ATOM 564 O GLN A 35 -10.566 0.536 5.601 1.00 34.22 O ATOM 565 CB GLN A 35 -10.778 -1.626 8.286 1.00 70.21 C ATOM 566 CG GLN A 35 -9.977 -2.507 9.246 1.00 24.23 C ATOM 567 CD GLN A 35 -8.776 -3.181 8.600 1.00 65.41 C ATOM 568 OE1 GLN A 35 -8.879 -3.513 7.326 1.00 15.40 O flip ATOM 569 NE2 GLN A 35 -7.770 -3.432 9.251 1.00 71.42 N flip ATOM 0 H GLN A 35 -9.765 0.031 9.820 1.00 52.33 H new ATOM 0 HA GLN A 35 -9.117 -0.684 7.242 1.00 65.14 H new ATOM 0 HB2 GLN A 35 -11.688 -1.297 8.789 1.00 70.21 H new ATOM 0 HB3 GLN A 35 -11.086 -2.229 7.432 1.00 70.21 H new ATOM 0 HG2 GLN A 35 -9.634 -1.899 10.083 1.00 24.23 H new ATOM 0 HG3 GLN A 35 -10.635 -3.273 9.657 1.00 24.23 H new ATOM 0 HE21 GLN A 35 -7.718 -3.164 10.234 1.00 71.42 H new ATOM 0 HE22 GLN A 35 -6.984 -3.909 8.811 1.00 71.42 H new ATOM 578 N SER A 36 -12.083 0.830 7.240 1.00 40.34 N ATOM 579 CA SER A 36 -13.055 1.527 6.376 1.00 0.30 C ATOM 580 C SER A 36 -12.460 2.798 5.756 1.00 2.43 C ATOM 581 O SER A 36 -12.531 3.008 4.545 1.00 4.53 O ATOM 582 CB SER A 36 -14.322 1.885 7.168 1.00 30.54 C ATOM 583 OG SER A 36 -15.257 2.587 6.362 1.00 62.41 O ATOM 0 H SER A 36 -12.381 0.732 8.211 1.00 40.34 H new ATOM 0 HA SER A 36 -13.313 0.843 5.567 1.00 0.30 H new ATOM 0 HB2 SER A 36 -14.782 0.974 7.552 1.00 30.54 H new ATOM 0 HB3 SER A 36 -14.053 2.495 8.031 1.00 30.54 H new ATOM 0 HG SER A 36 -16.053 2.799 6.893 1.00 62.41 H new ATOM 589 N SER A 37 -11.857 3.634 6.595 1.00 73.41 N ATOM 590 CA SER A 37 -11.247 4.892 6.142 1.00 0.43 C ATOM 591 C SER A 37 -10.150 4.647 5.094 1.00 4.05 C ATOM 592 O SER A 37 -9.986 5.432 4.155 1.00 62.21 O ATOM 593 CB SER A 37 -10.664 5.657 7.338 1.00 13.14 C ATOM 594 OG SER A 37 -11.646 5.864 8.344 1.00 74.14 O ATOM 0 H SER A 37 -11.774 3.467 7.598 1.00 73.41 H new ATOM 0 HA SER A 37 -12.030 5.489 5.674 1.00 0.43 H new ATOM 0 HB2 SER A 37 -9.824 5.100 7.755 1.00 13.14 H new ATOM 0 HB3 SER A 37 -10.274 6.618 7.003 1.00 13.14 H new ATOM 0 HG SER A 37 -11.247 6.352 9.095 1.00 74.14 H new ATOM 600 N LEU A 38 -9.402 3.554 5.255 1.00 14.24 N ATOM 601 CA LEU A 38 -8.341 3.188 4.310 1.00 71.43 C ATOM 602 C LEU A 38 -8.926 2.736 2.964 1.00 52.44 C ATOM 603 O LEU A 38 -8.481 3.179 1.907 1.00 3.42 O ATOM 604 CB LEU A 38 -7.462 2.073 4.900 1.00 61.21 C ATOM 605 CG LEU A 38 -6.253 1.657 4.043 1.00 63.11 C ATOM 606 CD1 LEU A 38 -5.290 2.829 3.851 1.00 23.14 C ATOM 607 CD2 LEU A 38 -5.536 0.464 4.674 1.00 70.23 C ATOM 0 H LEU A 38 -9.511 2.904 6.033 1.00 14.24 H new ATOM 0 HA LEU A 38 -7.729 4.073 4.136 1.00 71.43 H new ATOM 0 HB2 LEU A 38 -7.099 2.398 5.875 1.00 61.21 H new ATOM 0 HB3 LEU A 38 -8.085 1.195 5.069 1.00 61.21 H new ATOM 0 HG LEU A 38 -6.618 1.359 3.060 1.00 63.11 H new ATOM 0 HD11 LEU A 38 -4.444 2.509 3.242 1.00 23.14 H new ATOM 0 HD12 LEU A 38 -5.808 3.647 3.351 1.00 23.14 H new ATOM 0 HD13 LEU A 38 -4.930 3.167 4.823 1.00 23.14 H new ATOM 0 HD21 LEU A 38 -4.684 0.183 4.055 1.00 70.23 H new ATOM 0 HD22 LEU A 38 -5.187 0.735 5.671 1.00 70.23 H new ATOM 0 HD23 LEU A 38 -6.225 -0.378 4.747 1.00 70.23 H new ATOM 619 N ALA A 39 -9.928 1.857 3.019 1.00 52.41 N ATOM 620 CA ALA A 39 -10.582 1.341 1.810 1.00 43.42 C ATOM 621 C ALA A 39 -11.271 2.458 1.008 1.00 44.50 C ATOM 622 O ALA A 39 -11.301 2.430 -0.221 1.00 23.21 O ATOM 623 CB ALA A 39 -11.588 0.257 2.185 1.00 33.41 C ATOM 0 H ALA A 39 -10.307 1.485 3.890 1.00 52.41 H new ATOM 0 HA ALA A 39 -9.810 0.913 1.171 1.00 43.42 H new ATOM 0 HB1 ALA A 39 -12.069 -0.121 1.283 1.00 33.41 H new ATOM 0 HB2 ALA A 39 -11.072 -0.559 2.690 1.00 33.41 H new ATOM 0 HB3 ALA A 39 -12.343 0.676 2.850 1.00 33.41 H new ATOM 629 N LYS A 40 -11.829 3.441 1.715 1.00 31.13 N ATOM 630 CA LYS A 40 -12.484 4.583 1.066 1.00 31.11 C ATOM 631 C LYS A 40 -11.460 5.514 0.398 1.00 31.43 C ATOM 632 O LYS A 40 -11.688 6.021 -0.703 1.00 25.53 O ATOM 633 CB LYS A 40 -13.318 5.372 2.085 1.00 34.34 C ATOM 634 CG LYS A 40 -14.095 6.533 1.469 1.00 15.33 C ATOM 635 CD LYS A 40 -14.856 7.333 2.520 1.00 33.52 C ATOM 636 CE LYS A 40 -15.687 8.448 1.894 1.00 11.31 C ATOM 637 NZ LYS A 40 -16.391 9.256 2.922 1.00 23.35 N ATOM 0 H LYS A 40 -11.842 3.472 2.734 1.00 31.13 H new ATOM 0 HA LYS A 40 -13.141 4.188 0.291 1.00 31.11 H new ATOM 0 HB2 LYS A 40 -14.019 4.694 2.572 1.00 34.34 H new ATOM 0 HB3 LYS A 40 -12.658 5.759 2.861 1.00 34.34 H new ATOM 0 HG2 LYS A 40 -13.405 7.192 0.942 1.00 15.33 H new ATOM 0 HG3 LYS A 40 -14.796 6.148 0.729 1.00 15.33 H new ATOM 0 HD2 LYS A 40 -15.509 6.665 3.082 1.00 33.52 H new ATOM 0 HD3 LYS A 40 -14.150 7.762 3.231 1.00 33.52 H new ATOM 0 HE2 LYS A 40 -15.039 9.096 1.303 1.00 11.31 H new ATOM 0 HE3 LYS A 40 -16.417 8.016 1.209 1.00 11.31 H new ATOM 0 HZ1 LYS A 40 -16.945 10.003 2.457 1.00 23.35 H new ATOM 0 HZ2 LYS A 40 -17.028 8.643 3.469 1.00 23.35 H new ATOM 0 HZ3 LYS A 40 -15.694 9.689 3.561 1.00 23.35 H new ATOM 651 N GLU A 41 -10.335 5.740 1.078 1.00 53.12 N ATOM 652 CA GLU A 41 -9.262 6.590 0.548 1.00 23.24 C ATOM 653 C GLU A 41 -8.552 5.903 -0.627 1.00 1.05 C ATOM 654 O GLU A 41 -8.490 6.444 -1.731 1.00 41.13 O ATOM 655 CB GLU A 41 -8.256 6.929 1.660 1.00 1.34 C ATOM 656 CG GLU A 41 -7.074 7.785 1.204 1.00 31.33 C ATOM 657 CD GLU A 41 -7.493 9.104 0.567 1.00 12.44 C ATOM 658 OE1 GLU A 41 -8.292 9.839 1.181 1.00 22.23 O ATOM 659 OE2 GLU A 41 -7.010 9.421 -0.544 1.00 12.44 O ATOM 0 H GLU A 41 -10.141 5.347 1.999 1.00 53.12 H new ATOM 0 HA GLU A 41 -9.705 7.516 0.182 1.00 23.24 H new ATOM 0 HB2 GLU A 41 -8.780 7.452 2.460 1.00 1.34 H new ATOM 0 HB3 GLU A 41 -7.874 6.000 2.083 1.00 1.34 H new ATOM 0 HG2 GLU A 41 -6.432 7.991 2.061 1.00 31.33 H new ATOM 0 HG3 GLU A 41 -6.478 7.218 0.489 1.00 31.33 H new ATOM 666 N CYS A 42 -8.018 4.709 -0.376 1.00 40.03 N ATOM 667 CA CYS A 42 -7.409 3.887 -1.429 1.00 40.12 C ATOM 668 C CYS A 42 -8.437 2.884 -1.968 1.00 31.31 C ATOM 669 O CYS A 42 -8.728 1.881 -1.314 1.00 74.32 O ATOM 670 CB CYS A 42 -6.177 3.142 -0.892 1.00 72.20 C ATOM 671 SG CYS A 42 -5.298 2.163 -2.133 1.00 21.41 S ATOM 0 H CYS A 42 -7.993 4.285 0.551 1.00 40.03 H new ATOM 0 HA CYS A 42 -7.088 4.542 -2.239 1.00 40.12 H new ATOM 0 HB2 CYS A 42 -5.486 3.868 -0.464 1.00 72.20 H new ATOM 0 HB3 CYS A 42 -6.490 2.483 -0.082 1.00 72.20 H new ATOM 0 HG CYS A 42 -4.276 1.579 -1.581 1.00 21.41 H new ATOM 677 N PRO A 43 -9.007 3.144 -3.165 1.00 12.54 N ATOM 678 CA PRO A 43 -10.123 2.345 -3.707 1.00 60.55 C ATOM 679 C PRO A 43 -9.769 0.863 -3.939 1.00 35.11 C ATOM 680 O PRO A 43 -9.473 0.441 -5.065 1.00 64.51 O ATOM 681 CB PRO A 43 -10.465 3.054 -5.030 1.00 42.13 C ATOM 682 CG PRO A 43 -9.228 3.809 -5.391 1.00 23.44 C ATOM 683 CD PRO A 43 -8.602 4.222 -4.086 1.00 50.12 C ATOM 0 HA PRO A 43 -10.956 2.301 -3.006 1.00 60.55 H new ATOM 0 HB2 PRO A 43 -10.731 2.336 -5.806 1.00 42.13 H new ATOM 0 HB3 PRO A 43 -11.316 3.724 -4.911 1.00 42.13 H new ATOM 0 HG2 PRO A 43 -8.546 3.188 -5.972 1.00 23.44 H new ATOM 0 HG3 PRO A 43 -9.466 4.679 -6.003 1.00 23.44 H new ATOM 0 HD2 PRO A 43 -7.518 4.298 -4.165 1.00 50.12 H new ATOM 0 HD3 PRO A 43 -8.966 5.194 -3.754 1.00 50.12 H new ATOM 691 N LEU A 44 -9.799 0.084 -2.860 1.00 12.34 N ATOM 692 CA LEU A 44 -9.566 -1.361 -2.919 1.00 43.21 C ATOM 693 C LEU A 44 -10.743 -2.132 -2.304 1.00 24.13 C ATOM 694 O LEU A 44 -11.480 -1.604 -1.474 1.00 65.34 O ATOM 695 CB LEU A 44 -8.265 -1.727 -2.185 1.00 34.34 C ATOM 696 CG LEU A 44 -6.974 -1.160 -2.796 1.00 4.13 C ATOM 697 CD1 LEU A 44 -5.767 -1.544 -1.946 1.00 40.41 C ATOM 698 CD2 LEU A 44 -6.796 -1.643 -4.234 1.00 63.02 C ATOM 0 H LEU A 44 -9.985 0.434 -1.920 1.00 12.34 H new ATOM 0 HA LEU A 44 -9.475 -1.643 -3.968 1.00 43.21 H new ATOM 0 HB2 LEU A 44 -8.341 -1.380 -1.155 1.00 34.34 H new ATOM 0 HB3 LEU A 44 -8.182 -2.813 -2.150 1.00 34.34 H new ATOM 0 HG LEU A 44 -7.053 -0.073 -2.811 1.00 4.13 H new ATOM 0 HD11 LEU A 44 -4.862 -1.134 -2.394 1.00 40.41 H new ATOM 0 HD12 LEU A 44 -5.888 -1.143 -0.940 1.00 40.41 H new ATOM 0 HD13 LEU A 44 -5.688 -2.630 -1.896 1.00 40.41 H new ATOM 0 HD21 LEU A 44 -5.876 -1.229 -4.646 1.00 63.02 H new ATOM 0 HD22 LEU A 44 -6.742 -2.732 -4.248 1.00 63.02 H new ATOM 0 HD23 LEU A 44 -7.643 -1.314 -4.836 1.00 63.02 H new ATOM 710 N SER A 45 -10.907 -3.385 -2.718 1.00 2.52 N ATOM 711 CA SER A 45 -11.992 -4.242 -2.220 1.00 12.32 C ATOM 712 C SER A 45 -11.886 -4.449 -0.699 1.00 2.43 C ATOM 713 O SER A 45 -11.059 -5.236 -0.228 1.00 54.35 O ATOM 714 CB SER A 45 -11.951 -5.600 -2.939 1.00 10.02 C ATOM 715 OG SER A 45 -11.772 -5.433 -4.342 1.00 73.03 O ATOM 0 H SER A 45 -10.300 -3.837 -3.402 1.00 2.52 H new ATOM 0 HA SER A 45 -12.941 -3.747 -2.427 1.00 12.32 H new ATOM 0 HB2 SER A 45 -11.139 -6.204 -2.535 1.00 10.02 H new ATOM 0 HB3 SER A 45 -12.877 -6.143 -2.750 1.00 10.02 H new ATOM 0 HG SER A 45 -11.748 -6.312 -4.776 1.00 73.03 H new ATOM 721 N GLN A 46 -12.721 -3.733 0.059 1.00 10.32 N ATOM 722 CA GLN A 46 -12.698 -3.784 1.532 1.00 73.35 C ATOM 723 C GLN A 46 -12.766 -5.227 2.059 1.00 5.01 C ATOM 724 O GLN A 46 -12.099 -5.575 3.041 1.00 71.54 O ATOM 725 CB GLN A 46 -13.854 -2.935 2.102 1.00 44.22 C ATOM 726 CG GLN A 46 -13.897 -2.839 3.633 1.00 41.23 C ATOM 727 CD GLN A 46 -14.859 -3.828 4.277 1.00 12.32 C ATOM 728 OE1 GLN A 46 -16.037 -3.533 4.466 1.00 50.44 O ATOM 729 NE2 GLN A 46 -14.369 -4.998 4.632 1.00 53.22 N ATOM 0 H GLN A 46 -13.428 -3.105 -0.323 1.00 10.32 H new ATOM 0 HA GLN A 46 -11.748 -3.369 1.869 1.00 73.35 H new ATOM 0 HB2 GLN A 46 -13.781 -1.928 1.692 1.00 44.22 H new ATOM 0 HB3 GLN A 46 -14.798 -3.353 1.753 1.00 44.22 H new ATOM 0 HG2 GLN A 46 -12.895 -3.009 4.028 1.00 41.23 H new ATOM 0 HG3 GLN A 46 -14.184 -1.827 3.918 1.00 41.23 H new ATOM 0 HE21 GLN A 46 -13.387 -5.212 4.461 1.00 53.22 H new ATOM 0 HE22 GLN A 46 -14.972 -5.690 5.078 1.00 53.22 H new ATOM 738 N SER A 47 -13.565 -6.063 1.402 1.00 0.32 N ATOM 739 CA SER A 47 -13.691 -7.479 1.776 1.00 74.10 C ATOM 740 C SER A 47 -12.322 -8.176 1.767 1.00 42.01 C ATOM 741 O SER A 47 -11.965 -8.892 2.704 1.00 35.33 O ATOM 742 CB SER A 47 -14.646 -8.202 0.812 1.00 53.15 C ATOM 743 OG SER A 47 -15.872 -7.494 0.674 1.00 2.54 O ATOM 0 H SER A 47 -14.139 -5.789 0.605 1.00 0.32 H new ATOM 0 HA SER A 47 -14.096 -7.524 2.787 1.00 74.10 H new ATOM 0 HB2 SER A 47 -14.172 -8.306 -0.164 1.00 53.15 H new ATOM 0 HB3 SER A 47 -14.844 -9.209 1.179 1.00 53.15 H new ATOM 0 HG SER A 47 -16.460 -7.975 0.054 1.00 2.54 H new ATOM 749 N MET A 48 -11.551 -7.933 0.710 1.00 74.14 N ATOM 750 CA MET A 48 -10.223 -8.536 0.561 1.00 45.50 C ATOM 751 C MET A 48 -9.224 -7.947 1.567 1.00 73.30 C ATOM 752 O MET A 48 -8.401 -8.669 2.129 1.00 71.00 O ATOM 753 CB MET A 48 -9.704 -8.329 -0.866 1.00 33.33 C ATOM 754 CG MET A 48 -10.583 -8.960 -1.938 1.00 63.34 C ATOM 755 SD MET A 48 -9.985 -8.631 -3.607 1.00 33.41 S ATOM 756 CE MET A 48 -11.249 -9.441 -4.587 1.00 41.31 C ATOM 0 H MET A 48 -11.822 -7.321 -0.060 1.00 74.14 H new ATOM 0 HA MET A 48 -10.319 -9.603 0.761 1.00 45.50 H new ATOM 0 HB2 MET A 48 -9.621 -7.260 -1.061 1.00 33.33 H new ATOM 0 HB3 MET A 48 -8.700 -8.746 -0.941 1.00 33.33 H new ATOM 0 HG2 MET A 48 -10.628 -10.037 -1.778 1.00 63.34 H new ATOM 0 HG3 MET A 48 -11.600 -8.580 -1.839 1.00 63.34 H new ATOM 0 HE1 MET A 48 -11.019 -9.325 -5.646 1.00 41.31 H new ATOM 0 HE2 MET A 48 -11.280 -10.501 -4.337 1.00 41.31 H new ATOM 0 HE3 MET A 48 -12.218 -8.990 -4.375 1.00 41.31 H new ATOM 766 N ILE A 49 -9.304 -6.633 1.794 1.00 3.42 N ATOM 767 CA ILE A 49 -8.430 -5.961 2.770 1.00 22.21 C ATOM 768 C ILE A 49 -8.554 -6.611 4.158 1.00 52.23 C ATOM 769 O ILE A 49 -7.558 -6.812 4.854 1.00 43.42 O ATOM 770 CB ILE A 49 -8.756 -4.448 2.872 1.00 43.24 C ATOM 771 CG1 ILE A 49 -8.579 -3.771 1.499 1.00 24.32 C ATOM 772 CG2 ILE A 49 -7.879 -3.767 3.928 1.00 30.21 C ATOM 773 CD1 ILE A 49 -8.908 -2.291 1.498 1.00 23.14 C ATOM 0 H ILE A 49 -9.960 -6.013 1.320 1.00 3.42 H new ATOM 0 HA ILE A 49 -7.405 -6.073 2.416 1.00 22.21 H new ATOM 0 HB ILE A 49 -9.796 -4.342 3.182 1.00 43.24 H new ATOM 0 HG12 ILE A 49 -7.549 -3.905 1.169 1.00 24.32 H new ATOM 0 HG13 ILE A 49 -9.215 -4.275 0.771 1.00 24.32 H new ATOM 0 HG21 ILE A 49 -8.128 -2.707 3.979 1.00 30.21 H new ATOM 0 HG22 ILE A 49 -8.055 -4.228 4.900 1.00 30.21 H new ATOM 0 HG23 ILE A 49 -6.829 -3.880 3.657 1.00 30.21 H new ATOM 0 HD11 ILE A 49 -8.759 -1.886 0.497 1.00 23.14 H new ATOM 0 HD12 ILE A 49 -9.947 -2.149 1.796 1.00 23.14 H new ATOM 0 HD13 ILE A 49 -8.255 -1.773 2.200 1.00 23.14 H new ATOM 785 N SER A 50 -9.785 -6.955 4.543 1.00 22.42 N ATOM 786 CA SER A 50 -10.033 -7.650 5.816 1.00 34.15 C ATOM 787 C SER A 50 -9.322 -9.010 5.852 1.00 10.15 C ATOM 788 O SER A 50 -8.831 -9.444 6.896 1.00 73.45 O ATOM 789 CB SER A 50 -11.540 -7.850 6.043 1.00 73.12 C ATOM 790 OG SER A 50 -11.793 -8.478 7.292 1.00 5.43 O ATOM 0 H SER A 50 -10.625 -6.766 3.996 1.00 22.42 H new ATOM 0 HA SER A 50 -9.632 -7.025 6.614 1.00 34.15 H new ATOM 0 HB2 SER A 50 -12.047 -6.886 6.009 1.00 73.12 H new ATOM 0 HB3 SER A 50 -11.954 -8.456 5.238 1.00 73.12 H new ATOM 0 HG SER A 50 -12.759 -8.592 7.411 1.00 5.43 H new ATOM 796 N SER A 51 -9.271 -9.682 4.702 1.00 44.14 N ATOM 797 CA SER A 51 -8.561 -10.964 4.581 1.00 74.32 C ATOM 798 C SER A 51 -7.051 -10.774 4.762 1.00 53.23 C ATOM 799 O SER A 51 -6.402 -11.540 5.470 1.00 62.43 O ATOM 800 CB SER A 51 -8.838 -11.611 3.215 1.00 71.12 C ATOM 801 OG SER A 51 -10.232 -11.781 2.995 1.00 74.11 O ATOM 0 H SER A 51 -9.711 -9.364 3.839 1.00 44.14 H new ATOM 0 HA SER A 51 -8.929 -11.621 5.369 1.00 74.32 H new ATOM 0 HB2 SER A 51 -8.416 -10.990 2.424 1.00 71.12 H new ATOM 0 HB3 SER A 51 -8.339 -12.579 3.161 1.00 71.12 H new ATOM 0 HG SER A 51 -10.377 -12.193 2.118 1.00 74.11 H new ATOM 807 N ILE A 52 -6.508 -9.734 4.126 1.00 62.12 N ATOM 808 CA ILE A 52 -5.072 -9.424 4.197 1.00 74.44 C ATOM 809 C ILE A 52 -4.628 -9.088 5.637 1.00 62.41 C ATOM 810 O ILE A 52 -3.456 -9.242 5.993 1.00 74.22 O ATOM 811 CB ILE A 52 -4.718 -8.247 3.247 1.00 74.05 C ATOM 812 CG1 ILE A 52 -5.143 -8.589 1.808 1.00 32.30 C ATOM 813 CG2 ILE A 52 -3.223 -7.919 3.307 1.00 61.34 C ATOM 814 CD1 ILE A 52 -4.889 -7.480 0.806 1.00 63.42 C ATOM 0 H ILE A 52 -7.044 -9.085 3.550 1.00 62.12 H new ATOM 0 HA ILE A 52 -4.534 -10.317 3.878 1.00 74.44 H new ATOM 0 HB ILE A 52 -5.263 -7.362 3.576 1.00 74.05 H new ATOM 0 HG12 ILE A 52 -4.610 -9.484 1.486 1.00 32.30 H new ATOM 0 HG13 ILE A 52 -6.206 -8.832 1.803 1.00 32.30 H new ATOM 0 HG21 ILE A 52 -3.005 -7.092 2.632 1.00 61.34 H new ATOM 0 HG22 ILE A 52 -2.953 -7.638 4.325 1.00 61.34 H new ATOM 0 HG23 ILE A 52 -2.646 -8.794 3.007 1.00 61.34 H new ATOM 0 HD11 ILE A 52 -5.216 -7.801 -0.183 1.00 63.42 H new ATOM 0 HD12 ILE A 52 -5.444 -6.589 1.100 1.00 63.42 H new ATOM 0 HD13 ILE A 52 -3.824 -7.251 0.779 1.00 63.42 H new ATOM 826 N VAL A 53 -5.562 -8.613 6.463 1.00 13.13 N ATOM 827 CA VAL A 53 -5.281 -8.365 7.883 1.00 23.14 C ATOM 828 C VAL A 53 -4.929 -9.676 8.610 1.00 41.11 C ATOM 829 O VAL A 53 -3.995 -9.728 9.415 1.00 73.52 O ATOM 830 CB VAL A 53 -6.484 -7.687 8.595 1.00 24.24 C ATOM 831 CG1 VAL A 53 -6.189 -7.452 10.077 1.00 1.41 C ATOM 832 CG2 VAL A 53 -6.850 -6.374 7.901 1.00 54.15 C ATOM 0 H VAL A 53 -6.516 -8.392 6.177 1.00 13.13 H new ATOM 0 HA VAL A 53 -4.427 -7.689 7.925 1.00 23.14 H new ATOM 0 HB VAL A 53 -7.337 -8.362 8.528 1.00 24.24 H new ATOM 0 HG11 VAL A 53 -7.049 -6.976 10.548 1.00 1.41 H new ATOM 0 HG12 VAL A 53 -5.990 -8.407 10.564 1.00 1.41 H new ATOM 0 HG13 VAL A 53 -5.317 -6.805 10.176 1.00 1.41 H new ATOM 0 HG21 VAL A 53 -7.695 -5.914 8.414 1.00 54.15 H new ATOM 0 HG22 VAL A 53 -5.996 -5.697 7.929 1.00 54.15 H new ATOM 0 HG23 VAL A 53 -7.121 -6.574 6.864 1.00 54.15 H new ATOM 842 N ASN A 54 -5.674 -10.734 8.302 1.00 31.42 N ATOM 843 CA ASN A 54 -5.457 -12.052 8.910 1.00 44.43 C ATOM 844 C ASN A 54 -4.486 -12.907 8.071 1.00 72.11 C ATOM 845 O ASN A 54 -3.388 -13.242 8.519 1.00 22.24 O ATOM 846 CB ASN A 54 -6.805 -12.770 9.076 1.00 4.33 C ATOM 847 CG ASN A 54 -6.660 -14.203 9.552 1.00 43.43 C ATOM 848 OD1 ASN A 54 -6.611 -15.134 8.754 1.00 5.01 O ATOM 849 ND2 ASN A 54 -6.585 -14.396 10.852 1.00 12.20 N ATOM 0 H ASN A 54 -6.441 -10.707 7.630 1.00 31.42 H new ATOM 0 HA ASN A 54 -5.001 -11.909 9.890 1.00 44.43 H new ATOM 0 HB2 ASN A 54 -7.419 -12.217 9.787 1.00 4.33 H new ATOM 0 HB3 ASN A 54 -7.334 -12.761 8.123 1.00 4.33 H new ATOM 0 HD21 ASN A 54 -6.483 -15.341 11.222 1.00 12.20 H new ATOM 0 HD22 ASN A 54 -6.629 -13.601 11.489 1.00 12.20 H new ATOM 856 N SER A 55 -4.896 -13.251 6.850 1.00 52.02 N ATOM 857 CA SER A 55 -4.085 -14.098 5.964 1.00 41.42 C ATOM 858 C SER A 55 -3.161 -13.264 5.070 1.00 10.01 C ATOM 859 O SER A 55 -3.598 -12.662 4.092 1.00 20.33 O ATOM 860 CB SER A 55 -4.983 -14.983 5.086 1.00 40.22 C ATOM 861 OG SER A 55 -4.214 -15.871 4.288 1.00 44.43 O ATOM 0 H SER A 55 -5.786 -12.957 6.448 1.00 52.02 H new ATOM 0 HA SER A 55 -3.467 -14.729 6.603 1.00 41.42 H new ATOM 0 HB2 SER A 55 -5.662 -15.555 5.718 1.00 40.22 H new ATOM 0 HB3 SER A 55 -5.599 -14.354 4.443 1.00 40.22 H new ATOM 0 HG SER A 55 -3.746 -16.509 4.866 1.00 44.43 H new ATOM 867 N THR A 56 -1.880 -13.227 5.418 1.00 64.23 N ATOM 868 CA THR A 56 -0.872 -12.525 4.608 1.00 22.42 C ATOM 869 C THR A 56 -0.040 -13.503 3.771 1.00 20.21 C ATOM 870 O THR A 56 0.975 -13.124 3.182 1.00 71.53 O ATOM 871 CB THR A 56 0.087 -11.696 5.497 1.00 11.14 C ATOM 872 OG1 THR A 56 0.685 -12.536 6.499 1.00 23.33 O ATOM 873 CG2 THR A 56 -0.642 -10.537 6.169 1.00 11.24 C ATOM 0 H THR A 56 -1.507 -13.673 6.256 1.00 64.23 H new ATOM 0 HA THR A 56 -1.421 -11.858 3.943 1.00 22.42 H new ATOM 0 HB THR A 56 0.865 -11.285 4.854 1.00 11.14 H new ATOM 0 HG1 THR A 56 1.291 -12.002 7.054 1.00 23.33 H new ATOM 0 HG21 THR A 56 0.059 -9.975 6.786 1.00 11.24 H new ATOM 0 HG22 THR A 56 -1.062 -9.881 5.407 1.00 11.24 H new ATOM 0 HG23 THR A 56 -1.445 -10.926 6.795 1.00 11.24 H new ATOM 881 N TYR A 57 -0.488 -14.755 3.698 1.00 61.33 N ATOM 882 CA TYR A 57 0.281 -15.821 3.037 1.00 60.10 C ATOM 883 C TYR A 57 -0.405 -16.361 1.766 1.00 61.34 C ATOM 884 O TYR A 57 0.254 -16.971 0.920 1.00 52.25 O ATOM 885 CB TYR A 57 0.525 -16.976 4.023 1.00 53.14 C ATOM 886 CG TYR A 57 -0.747 -17.566 4.611 1.00 13.42 C ATOM 887 CD1 TYR A 57 -1.294 -17.058 5.787 1.00 63.31 C ATOM 888 CD2 TYR A 57 -1.401 -18.631 3.994 1.00 21.23 C ATOM 889 CE1 TYR A 57 -2.450 -17.587 6.325 1.00 23.02 C ATOM 890 CE2 TYR A 57 -2.558 -19.165 4.530 1.00 55.25 C ATOM 891 CZ TYR A 57 -3.077 -18.640 5.694 1.00 23.32 C ATOM 892 OH TYR A 57 -4.231 -19.169 6.228 1.00 45.45 O ATOM 0 H TYR A 57 -1.380 -15.062 4.087 1.00 61.33 H new ATOM 0 HA TYR A 57 1.228 -15.380 2.726 1.00 60.10 H new ATOM 0 HB2 TYR A 57 1.077 -17.765 3.513 1.00 53.14 H new ATOM 0 HB3 TYR A 57 1.157 -16.619 4.836 1.00 53.14 H new ATOM 0 HD1 TYR A 57 -0.805 -16.235 6.287 1.00 63.31 H new ATOM 0 HD2 TYR A 57 -0.997 -19.046 3.082 1.00 21.23 H new ATOM 0 HE1 TYR A 57 -2.861 -17.178 7.236 1.00 23.02 H new ATOM 0 HE2 TYR A 57 -3.053 -19.990 4.039 1.00 55.25 H new ATOM 0 HH TYR A 57 -4.547 -19.904 5.662 1.00 45.45 H new ATOM 902 N TYR A 58 -1.719 -16.147 1.630 1.00 14.54 N ATOM 903 CA TYR A 58 -2.476 -16.713 0.498 1.00 74.43 C ATOM 904 C TYR A 58 -1.964 -16.178 -0.854 1.00 53.12 C ATOM 905 O TYR A 58 -1.598 -15.006 -0.974 1.00 32.40 O ATOM 906 CB TYR A 58 -3.985 -16.435 0.652 1.00 43.51 C ATOM 907 CG TYR A 58 -4.400 -14.992 0.393 1.00 53.42 C ATOM 908 CD1 TYR A 58 -4.137 -13.987 1.319 1.00 44.22 C ATOM 909 CD2 TYR A 58 -5.060 -14.639 -0.783 1.00 42.33 C ATOM 910 CE1 TYR A 58 -4.519 -12.678 1.082 1.00 71.14 C ATOM 911 CE2 TYR A 58 -5.444 -13.335 -1.023 1.00 31.21 C ATOM 912 CZ TYR A 58 -5.171 -12.358 -0.090 1.00 44.22 C ATOM 913 OH TYR A 58 -5.558 -11.060 -0.330 1.00 70.22 O ATOM 0 H TYR A 58 -2.278 -15.593 2.279 1.00 14.54 H new ATOM 0 HA TYR A 58 -2.318 -17.791 0.509 1.00 74.43 H new ATOM 0 HB2 TYR A 58 -4.531 -17.084 -0.033 1.00 43.51 H new ATOM 0 HB3 TYR A 58 -4.289 -16.710 1.662 1.00 43.51 H new ATOM 0 HD1 TYR A 58 -3.626 -14.233 2.238 1.00 44.22 H new ATOM 0 HD2 TYR A 58 -5.275 -15.399 -1.519 1.00 42.33 H new ATOM 0 HE1 TYR A 58 -4.307 -11.911 1.812 1.00 71.14 H new ATOM 0 HE2 TYR A 58 -5.957 -13.081 -1.939 1.00 31.21 H new ATOM 0 HH TYR A 58 -6.003 -11.007 -1.201 1.00 70.22 H new ATOM 923 N ALA A 59 -1.937 -17.043 -1.867 1.00 10.44 N ATOM 924 CA ALA A 59 -1.403 -16.681 -3.190 1.00 75.25 C ATOM 925 C ALA A 59 -2.499 -16.213 -4.159 1.00 70.02 C ATOM 926 O ALA A 59 -2.213 -15.839 -5.297 1.00 32.22 O ATOM 927 CB ALA A 59 -0.641 -17.862 -3.785 1.00 34.12 C ATOM 0 H ALA A 59 -2.278 -18.002 -1.802 1.00 10.44 H new ATOM 0 HA ALA A 59 -0.724 -15.840 -3.047 1.00 75.25 H new ATOM 0 HB1 ALA A 59 -0.249 -17.586 -4.764 1.00 34.12 H new ATOM 0 HB2 ALA A 59 0.185 -18.131 -3.126 1.00 34.12 H new ATOM 0 HB3 ALA A 59 -1.314 -18.713 -3.890 1.00 34.12 H new ATOM 933 N ASN A 60 -3.751 -16.206 -3.704 1.00 32.33 N ATOM 934 CA ASN A 60 -4.889 -15.802 -4.550 1.00 62.15 C ATOM 935 C ASN A 60 -4.955 -14.265 -4.721 1.00 64.40 C ATOM 936 O ASN A 60 -6.034 -13.686 -4.866 1.00 11.23 O ATOM 937 CB ASN A 60 -6.200 -16.335 -3.944 1.00 61.53 C ATOM 938 CG ASN A 60 -7.357 -16.345 -4.936 1.00 71.01 C ATOM 939 OD1 ASN A 60 -7.591 -17.332 -5.626 1.00 24.30 O ATOM 940 ND2 ASN A 60 -8.085 -15.250 -5.027 1.00 73.45 N ATOM 0 H ASN A 60 -4.010 -16.475 -2.755 1.00 32.33 H new ATOM 0 HA ASN A 60 -4.747 -16.233 -5.541 1.00 62.15 H new ATOM 0 HB2 ASN A 60 -6.037 -17.348 -3.575 1.00 61.53 H new ATOM 0 HB3 ASN A 60 -6.472 -15.722 -3.085 1.00 61.53 H new ATOM 0 HD21 ASN A 60 -8.865 -15.209 -5.683 1.00 73.45 H new ATOM 0 HD22 ASN A 60 -7.869 -14.444 -4.441 1.00 73.45 H new ATOM 947 N VAL A 61 -3.799 -13.603 -4.714 1.00 32.23 N ATOM 948 CA VAL A 61 -3.734 -12.162 -4.951 1.00 74.33 C ATOM 949 C VAL A 61 -3.728 -11.868 -6.459 1.00 22.40 C ATOM 950 O VAL A 61 -2.674 -11.877 -7.102 1.00 75.41 O ATOM 951 CB VAL A 61 -2.478 -11.529 -4.294 1.00 24.33 C ATOM 952 CG1 VAL A 61 -2.465 -10.010 -4.481 1.00 52.05 C ATOM 953 CG2 VAL A 61 -2.399 -11.899 -2.812 1.00 52.15 C ATOM 0 H VAL A 61 -2.894 -14.042 -4.547 1.00 32.23 H new ATOM 0 HA VAL A 61 -4.618 -11.717 -4.495 1.00 74.33 H new ATOM 0 HB VAL A 61 -1.597 -11.932 -4.792 1.00 24.33 H new ATOM 0 HG11 VAL A 61 -1.574 -9.593 -4.011 1.00 52.05 H new ATOM 0 HG12 VAL A 61 -2.458 -9.774 -5.545 1.00 52.05 H new ATOM 0 HG13 VAL A 61 -3.354 -9.579 -4.020 1.00 52.05 H new ATOM 0 HG21 VAL A 61 -1.512 -11.445 -2.371 1.00 52.15 H new ATOM 0 HG22 VAL A 61 -3.288 -11.533 -2.298 1.00 52.15 H new ATOM 0 HG23 VAL A 61 -2.341 -12.983 -2.710 1.00 52.15 H new ATOM 963 N SER A 62 -4.913 -11.643 -7.022 1.00 25.33 N ATOM 964 CA SER A 62 -5.064 -11.391 -8.464 1.00 43.34 C ATOM 965 C SER A 62 -4.149 -10.249 -8.951 1.00 62.22 C ATOM 966 O SER A 62 -3.790 -9.354 -8.183 1.00 32.40 O ATOM 967 CB SER A 62 -6.529 -11.070 -8.793 1.00 24.11 C ATOM 968 OG SER A 62 -6.742 -10.954 -10.193 1.00 61.11 O ATOM 0 H SER A 62 -5.791 -11.629 -6.503 1.00 25.33 H new ATOM 0 HA SER A 62 -4.763 -12.298 -8.988 1.00 43.34 H new ATOM 0 HB2 SER A 62 -7.172 -11.853 -8.391 1.00 24.11 H new ATOM 0 HB3 SER A 62 -6.816 -10.139 -8.303 1.00 24.11 H new ATOM 0 HG SER A 62 -7.685 -10.751 -10.365 1.00 61.11 H new ATOM 974 N ALA A 63 -3.790 -10.289 -10.234 1.00 12.23 N ATOM 975 CA ALA A 63 -2.815 -9.356 -10.822 1.00 74.13 C ATOM 976 C ALA A 63 -3.099 -7.877 -10.488 1.00 72.32 C ATOM 977 O ALA A 63 -2.354 -7.252 -9.733 1.00 13.13 O ATOM 978 CB ALA A 63 -2.769 -9.549 -12.335 1.00 2.11 C ATOM 0 H ALA A 63 -4.164 -10.967 -10.899 1.00 12.23 H new ATOM 0 HA ALA A 63 -1.848 -9.591 -10.377 1.00 74.13 H new ATOM 0 HB1 ALA A 63 -2.047 -8.857 -12.768 1.00 2.11 H new ATOM 0 HB2 ALA A 63 -2.472 -10.573 -12.562 1.00 2.11 H new ATOM 0 HB3 ALA A 63 -3.755 -9.355 -12.757 1.00 2.11 H new ATOM 984 N ALA A 64 -4.198 -7.343 -11.022 1.00 51.24 N ATOM 985 CA ALA A 64 -4.494 -5.903 -10.946 1.00 24.24 C ATOM 986 C ALA A 64 -4.637 -5.379 -9.505 1.00 74.33 C ATOM 987 O ALA A 64 -4.652 -4.167 -9.286 1.00 14.01 O ATOM 988 CB ALA A 64 -5.755 -5.586 -11.743 1.00 43.00 C ATOM 0 H ALA A 64 -4.905 -7.887 -11.516 1.00 51.24 H new ATOM 0 HA ALA A 64 -3.635 -5.389 -11.378 1.00 24.24 H new ATOM 0 HB1 ALA A 64 -5.966 -4.518 -11.681 1.00 43.00 H new ATOM 0 HB2 ALA A 64 -5.606 -5.866 -12.786 1.00 43.00 H new ATOM 0 HB3 ALA A 64 -6.595 -6.146 -11.333 1.00 43.00 H new ATOM 994 N LYS A 65 -4.731 -6.278 -8.524 1.00 34.32 N ATOM 995 CA LYS A 65 -4.866 -5.872 -7.117 1.00 30.30 C ATOM 996 C LYS A 65 -3.707 -4.960 -6.681 1.00 3.43 C ATOM 997 O LYS A 65 -3.867 -4.123 -5.789 1.00 13.02 O ATOM 998 CB LYS A 65 -4.937 -7.100 -6.194 1.00 62.13 C ATOM 999 CG LYS A 65 -6.109 -8.038 -6.479 1.00 52.52 C ATOM 1000 CD LYS A 65 -7.474 -7.365 -6.302 1.00 0.42 C ATOM 1001 CE LYS A 65 -7.705 -6.864 -4.873 1.00 23.22 C ATOM 1002 NZ LYS A 65 -7.190 -5.482 -4.660 1.00 12.35 N ATOM 0 H LYS A 65 -4.717 -7.287 -8.672 1.00 34.32 H new ATOM 0 HA LYS A 65 -5.797 -5.311 -7.032 1.00 30.30 H new ATOM 0 HB2 LYS A 65 -4.007 -7.662 -6.285 1.00 62.13 H new ATOM 0 HB3 LYS A 65 -5.003 -6.759 -5.161 1.00 62.13 H new ATOM 0 HG2 LYS A 65 -6.026 -8.415 -7.498 1.00 52.52 H new ATOM 0 HG3 LYS A 65 -6.047 -8.900 -5.815 1.00 52.52 H new ATOM 0 HD2 LYS A 65 -7.554 -6.527 -6.994 1.00 0.42 H new ATOM 0 HD3 LYS A 65 -8.260 -8.072 -6.566 1.00 0.42 H new ATOM 0 HE2 LYS A 65 -8.772 -6.888 -4.651 1.00 23.22 H new ATOM 0 HE3 LYS A 65 -7.218 -7.541 -4.171 1.00 23.22 H new ATOM 0 HZ1 LYS A 65 -7.796 -4.987 -3.975 1.00 12.35 H new ATOM 0 HZ2 LYS A 65 -6.218 -5.526 -4.293 1.00 12.35 H new ATOM 0 HZ3 LYS A 65 -7.196 -4.966 -5.563 1.00 12.35 H new ATOM 1016 N CYS A 66 -2.548 -5.127 -7.317 1.00 40.21 N ATOM 1017 CA CYS A 66 -1.373 -4.294 -7.034 1.00 51.20 C ATOM 1018 C CYS A 66 -1.437 -2.965 -7.800 1.00 14.24 C ATOM 1019 O CYS A 66 -1.202 -1.894 -7.237 1.00 12.25 O ATOM 1020 CB CYS A 66 -0.088 -5.038 -7.425 1.00 32.30 C ATOM 1021 SG CYS A 66 0.159 -6.613 -6.576 1.00 11.45 S ATOM 0 H CYS A 66 -2.394 -5.834 -8.036 1.00 40.21 H new ATOM 0 HA CYS A 66 -1.367 -4.083 -5.965 1.00 51.20 H new ATOM 0 HB2 CYS A 66 -0.101 -5.218 -8.500 1.00 32.30 H new ATOM 0 HB3 CYS A 66 0.766 -4.392 -7.221 1.00 32.30 H new ATOM 0 HG CYS A 66 0.412 -7.542 -7.450 1.00 11.45 H new ATOM 1027 N GLN A 67 -1.776 -3.047 -9.085 1.00 3.32 N ATOM 1028 CA GLN A 67 -1.806 -1.877 -9.968 1.00 4.01 C ATOM 1029 C GLN A 67 -2.877 -0.865 -9.532 1.00 12.20 C ATOM 1030 O GLN A 67 -2.727 0.342 -9.741 1.00 42.13 O ATOM 1031 CB GLN A 67 -2.033 -2.305 -11.433 1.00 5.13 C ATOM 1032 CG GLN A 67 -0.834 -3.011 -12.085 1.00 22.42 C ATOM 1033 CD GLN A 67 -0.687 -4.486 -11.712 1.00 72.21 C ATOM 1034 OE1 GLN A 67 -1.093 -4.927 -10.646 1.00 62.21 O ATOM 1035 NE2 GLN A 67 -0.079 -5.263 -12.589 1.00 11.20 N ATOM 0 H GLN A 67 -2.037 -3.920 -9.544 1.00 3.32 H new ATOM 0 HA GLN A 67 -0.836 -1.386 -9.893 1.00 4.01 H new ATOM 0 HB2 GLN A 67 -2.896 -2.970 -11.474 1.00 5.13 H new ATOM 0 HB3 GLN A 67 -2.282 -1.422 -12.021 1.00 5.13 H new ATOM 0 HG2 GLN A 67 -0.926 -2.931 -13.168 1.00 22.42 H new ATOM 0 HG3 GLN A 67 0.078 -2.485 -11.803 1.00 22.42 H new ATOM 0 HE21 GLN A 67 0.252 -4.874 -13.472 1.00 11.20 H new ATOM 0 HE22 GLN A 67 0.060 -6.252 -12.384 1.00 11.20 H new ATOM 1044 N GLU A 68 -3.960 -1.358 -8.934 1.00 64.24 N ATOM 1045 CA GLU A 68 -5.003 -0.484 -8.381 1.00 41.41 C ATOM 1046 C GLU A 68 -4.468 0.341 -7.201 1.00 10.43 C ATOM 1047 O GLU A 68 -4.726 1.544 -7.098 1.00 32.53 O ATOM 1048 CB GLU A 68 -6.219 -1.310 -7.944 1.00 14.44 C ATOM 1049 CG GLU A 68 -6.926 -2.012 -9.098 1.00 63.05 C ATOM 1050 CD GLU A 68 -7.386 -1.040 -10.173 1.00 24.24 C ATOM 1051 OE1 GLU A 68 -8.448 -0.412 -9.992 1.00 32.21 O ATOM 1052 OE2 GLU A 68 -6.685 -0.894 -11.200 1.00 25.21 O ATOM 0 H GLU A 68 -4.142 -2.355 -8.818 1.00 64.24 H new ATOM 0 HA GLU A 68 -5.311 0.207 -9.165 1.00 41.41 H new ATOM 0 HB2 GLU A 68 -5.899 -2.056 -7.217 1.00 14.44 H new ATOM 0 HB3 GLU A 68 -6.929 -0.656 -7.438 1.00 14.44 H new ATOM 0 HG2 GLU A 68 -6.253 -2.746 -9.540 1.00 63.05 H new ATOM 0 HG3 GLU A 68 -7.787 -2.559 -8.714 1.00 63.05 H new ATOM 1059 N PHE A 69 -3.717 -0.314 -6.320 1.00 52.43 N ATOM 1060 CA PHE A 69 -3.054 0.366 -5.203 1.00 40.04 C ATOM 1061 C PHE A 69 -2.013 1.369 -5.734 1.00 12.30 C ATOM 1062 O PHE A 69 -1.921 2.505 -5.264 1.00 5.23 O ATOM 1063 CB PHE A 69 -2.381 -0.671 -4.289 1.00 50.23 C ATOM 1064 CG PHE A 69 -1.703 -0.082 -3.075 1.00 14.41 C ATOM 1065 CD1 PHE A 69 -2.415 0.140 -1.905 1.00 14.24 C ATOM 1066 CD2 PHE A 69 -0.352 0.244 -3.101 1.00 41.40 C ATOM 1067 CE1 PHE A 69 -1.797 0.674 -0.790 1.00 32.41 C ATOM 1068 CE2 PHE A 69 0.268 0.777 -1.988 1.00 45.30 C ATOM 1069 CZ PHE A 69 -0.455 0.993 -0.833 1.00 1.41 C ATOM 0 H PHE A 69 -3.550 -1.320 -6.356 1.00 52.43 H new ATOM 0 HA PHE A 69 -3.799 0.914 -4.626 1.00 40.04 H new ATOM 0 HB2 PHE A 69 -3.132 -1.389 -3.959 1.00 50.23 H new ATOM 0 HB3 PHE A 69 -1.644 -1.225 -4.869 1.00 50.23 H new ATOM 0 HD1 PHE A 69 -3.465 -0.108 -1.865 1.00 14.24 H new ATOM 0 HD2 PHE A 69 0.220 0.079 -4.002 1.00 41.40 H new ATOM 0 HE1 PHE A 69 -2.364 0.841 0.114 1.00 32.41 H new ATOM 0 HE2 PHE A 69 1.319 1.025 -2.022 1.00 45.30 H new ATOM 0 HZ PHE A 69 0.029 1.412 0.037 1.00 1.41 H new ATOM 1079 N GLY A 70 -1.240 0.929 -6.727 1.00 73.51 N ATOM 1080 CA GLY A 70 -0.244 1.790 -7.356 1.00 41.20 C ATOM 1081 C GLY A 70 -0.846 3.044 -7.986 1.00 55.12 C ATOM 1082 O GLY A 70 -0.245 4.115 -7.938 1.00 72.04 O ATOM 0 H GLY A 70 -1.285 -0.015 -7.110 1.00 73.51 H new ATOM 0 HA2 GLY A 70 0.495 2.084 -6.611 1.00 41.20 H new ATOM 0 HA3 GLY A 70 0.284 1.224 -8.123 1.00 41.20 H new ATOM 1086 N ARG A 71 -2.041 2.913 -8.571 1.00 54.52 N ATOM 1087 CA ARG A 71 -2.740 4.058 -9.175 1.00 14.52 C ATOM 1088 C ARG A 71 -2.993 5.161 -8.134 1.00 61.03 C ATOM 1089 O ARG A 71 -2.725 6.339 -8.382 1.00 1.34 O ATOM 1090 CB ARG A 71 -4.072 3.611 -9.801 1.00 3.12 C ATOM 1091 CG ARG A 71 -4.859 4.753 -10.444 1.00 13.21 C ATOM 1092 CD ARG A 71 -6.222 4.301 -10.967 1.00 22.33 C ATOM 1093 NE ARG A 71 -6.997 5.428 -11.490 1.00 15.02 N ATOM 1094 CZ ARG A 71 -8.303 5.468 -11.554 1.00 3.13 C ATOM 1095 NH1 ARG A 71 -9.016 4.446 -11.208 1.00 73.00 N ATOM 1096 NH2 ARG A 71 -8.892 6.534 -11.992 1.00 34.13 N ATOM 0 H ARG A 71 -2.545 2.029 -8.640 1.00 54.52 H new ATOM 0 HA ARG A 71 -2.100 4.463 -9.959 1.00 14.52 H new ATOM 0 HB2 ARG A 71 -3.872 2.849 -10.554 1.00 3.12 H new ATOM 0 HB3 ARG A 71 -4.687 3.145 -9.031 1.00 3.12 H new ATOM 0 HG2 ARG A 71 -4.999 5.550 -9.714 1.00 13.21 H new ATOM 0 HG3 ARG A 71 -4.279 5.173 -11.266 1.00 13.21 H new ATOM 0 HD2 ARG A 71 -6.083 3.558 -11.752 1.00 22.33 H new ATOM 0 HD3 ARG A 71 -6.778 3.817 -10.165 1.00 22.33 H new ATOM 0 HE ARG A 71 -6.481 6.240 -11.829 1.00 15.02 H new ATOM 0 HH11 ARG A 71 -8.561 3.594 -10.880 1.00 73.00 H new ATOM 0 HH12 ARG A 71 -10.033 4.492 -11.263 1.00 73.00 H new ATOM 0 HH21 ARG A 71 -8.338 7.339 -12.286 1.00 34.13 H new ATOM 0 HH22 ARG A 71 -9.910 6.569 -12.044 1.00 34.13 H new ATOM 1110 N TRP A 72 -3.501 4.765 -6.969 1.00 23.03 N ATOM 1111 CA TRP A 72 -3.747 5.702 -5.867 1.00 14.31 C ATOM 1112 C TRP A 72 -2.434 6.328 -5.367 1.00 0.25 C ATOM 1113 O TRP A 72 -2.298 7.554 -5.296 1.00 31.45 O ATOM 1114 CB TRP A 72 -4.461 4.977 -4.714 1.00 22.24 C ATOM 1115 CG TRP A 72 -4.684 5.833 -3.498 1.00 53.22 C ATOM 1116 CD1 TRP A 72 -5.713 6.701 -3.286 1.00 30.40 C ATOM 1117 CD2 TRP A 72 -3.858 5.899 -2.327 1.00 13.42 C ATOM 1118 NE1 TRP A 72 -5.581 7.301 -2.058 1.00 61.43 N ATOM 1119 CE2 TRP A 72 -4.448 6.826 -1.451 1.00 74.24 C ATOM 1120 CE3 TRP A 72 -2.677 5.263 -1.935 1.00 12.54 C ATOM 1121 CZ2 TRP A 72 -3.899 7.136 -0.209 1.00 62.43 C ATOM 1122 CZ3 TRP A 72 -2.132 5.572 -0.702 1.00 63.13 C ATOM 1123 CH2 TRP A 72 -2.743 6.501 0.148 1.00 22.44 C ATOM 0 H TRP A 72 -3.752 3.799 -6.760 1.00 23.03 H new ATOM 0 HA TRP A 72 -4.384 6.506 -6.237 1.00 14.31 H new ATOM 0 HB2 TRP A 72 -5.424 4.611 -5.070 1.00 22.24 H new ATOM 0 HB3 TRP A 72 -3.874 4.104 -4.428 1.00 22.24 H new ATOM 0 HD1 TRP A 72 -6.516 6.890 -3.983 1.00 30.40 H new ATOM 0 HE1 TRP A 72 -6.222 7.988 -1.662 1.00 61.43 H new ATOM 0 HE3 TRP A 72 -2.199 4.543 -2.583 1.00 12.54 H new ATOM 0 HZ2 TRP A 72 -4.370 7.852 0.448 1.00 62.43 H new ATOM 0 HZ3 TRP A 72 -1.219 5.088 -0.389 1.00 63.13 H new ATOM 0 HH2 TRP A 72 -2.292 6.720 1.105 1.00 22.44 H new ATOM 1134 N TYR A 73 -1.465 5.475 -5.035 1.00 1.22 N ATOM 1135 CA TYR A 73 -0.176 5.933 -4.513 1.00 54.35 C ATOM 1136 C TYR A 73 0.570 6.815 -5.529 1.00 11.24 C ATOM 1137 O TYR A 73 1.330 7.706 -5.146 1.00 61.33 O ATOM 1138 CB TYR A 73 0.698 4.737 -4.112 1.00 30.43 C ATOM 1139 CG TYR A 73 2.021 5.135 -3.479 1.00 22.40 C ATOM 1140 CD1 TYR A 73 2.061 5.679 -2.198 1.00 24.31 C ATOM 1141 CD2 TYR A 73 3.226 4.983 -4.163 1.00 1.34 C ATOM 1142 CE1 TYR A 73 3.257 6.053 -1.617 1.00 72.14 C ATOM 1143 CE2 TYR A 73 4.425 5.358 -3.586 1.00 34.21 C ATOM 1144 CZ TYR A 73 4.435 5.892 -2.314 1.00 70.43 C ATOM 1145 OH TYR A 73 5.629 6.274 -1.739 1.00 1.31 O ATOM 0 H TYR A 73 -1.548 4.462 -5.118 1.00 1.22 H new ATOM 0 HA TYR A 73 -0.379 6.539 -3.630 1.00 54.35 H new ATOM 0 HB2 TYR A 73 0.144 4.111 -3.412 1.00 30.43 H new ATOM 0 HB3 TYR A 73 0.896 4.130 -4.995 1.00 30.43 H new ATOM 0 HD1 TYR A 73 1.140 5.811 -1.649 1.00 24.31 H new ATOM 0 HD2 TYR A 73 3.223 4.566 -5.159 1.00 1.34 H new ATOM 0 HE1 TYR A 73 3.269 6.470 -0.621 1.00 72.14 H new ATOM 0 HE2 TYR A 73 5.350 5.233 -4.129 1.00 34.21 H new ATOM 0 HH TYR A 73 6.364 6.093 -2.361 1.00 1.31 H new ATOM 1155 N LYS A 74 0.341 6.568 -6.821 1.00 30.25 N ATOM 1156 CA LYS A 74 0.994 7.337 -7.889 1.00 74.33 C ATOM 1157 C LYS A 74 0.632 8.832 -7.809 1.00 24.01 C ATOM 1158 O LYS A 74 1.410 9.695 -8.222 1.00 72.24 O ATOM 1159 CB LYS A 74 0.615 6.764 -9.265 1.00 62.15 C ATOM 1160 CG LYS A 74 1.459 7.312 -10.413 1.00 62.40 C ATOM 1161 CD LYS A 74 1.109 6.651 -11.745 1.00 13.12 C ATOM 1162 CE LYS A 74 2.015 7.140 -12.870 1.00 2.42 C ATOM 1163 NZ LYS A 74 1.942 8.615 -13.046 1.00 21.42 N ATOM 0 H LYS A 74 -0.292 5.841 -7.155 1.00 30.25 H new ATOM 0 HA LYS A 74 2.072 7.250 -7.754 1.00 74.33 H new ATOM 0 HB2 LYS A 74 0.717 5.679 -9.237 1.00 62.15 H new ATOM 0 HB3 LYS A 74 -0.435 6.981 -9.462 1.00 62.15 H new ATOM 0 HG2 LYS A 74 1.309 8.389 -10.492 1.00 62.40 H new ATOM 0 HG3 LYS A 74 2.515 7.152 -10.195 1.00 62.40 H new ATOM 0 HD2 LYS A 74 1.199 5.569 -11.649 1.00 13.12 H new ATOM 0 HD3 LYS A 74 0.070 6.864 -11.995 1.00 13.12 H new ATOM 0 HE2 LYS A 74 3.044 6.851 -12.657 1.00 2.42 H new ATOM 0 HE3 LYS A 74 1.732 6.650 -13.802 1.00 2.42 H new ATOM 0 HZ1 LYS A 74 2.436 8.885 -13.921 1.00 21.42 H new ATOM 0 HZ2 LYS A 74 0.946 8.909 -13.106 1.00 21.42 H new ATOM 0 HZ3 LYS A 74 2.393 9.084 -12.235 1.00 21.42 H new ATOM 1177 N HIS A 75 -0.551 9.133 -7.270 1.00 53.21 N ATOM 1178 CA HIS A 75 -0.952 10.522 -7.019 1.00 70.22 C ATOM 1179 C HIS A 75 -0.483 10.988 -5.634 1.00 24.33 C ATOM 1180 O HIS A 75 -0.106 12.143 -5.453 1.00 43.41 O ATOM 1181 CB HIS A 75 -2.473 10.683 -7.138 1.00 51.12 C ATOM 1182 CG HIS A 75 -2.986 10.479 -8.529 1.00 3.42 C ATOM 1183 ND1 HIS A 75 -2.929 11.455 -9.501 1.00 53.22 N ATOM 1184 CD2 HIS A 75 -3.559 9.404 -9.117 1.00 21.05 C ATOM 1185 CE1 HIS A 75 -3.443 10.990 -10.619 1.00 62.12 C ATOM 1186 NE2 HIS A 75 -3.832 9.749 -10.417 1.00 13.14 N ATOM 0 H HIS A 75 -1.247 8.438 -6.999 1.00 53.21 H new ATOM 0 HA HIS A 75 -0.475 11.145 -7.776 1.00 70.22 H new ATOM 0 HB2 HIS A 75 -2.959 9.971 -6.471 1.00 51.12 H new ATOM 0 HB3 HIS A 75 -2.753 11.680 -6.798 1.00 51.12 H new ATOM 0 HD2 HIS A 75 -3.764 8.452 -8.650 1.00 21.05 H new ATOM 0 HE1 HIS A 75 -3.531 11.535 -11.547 1.00 62.12 H new ATOM 0 HE2 HIS A 75 -4.266 9.143 -11.113 1.00 13.14 H new ATOM 1195 N PHE A 76 -0.500 10.077 -4.662 1.00 11.41 N ATOM 1196 CA PHE A 76 -0.054 10.387 -3.296 1.00 15.54 C ATOM 1197 C PHE A 76 1.425 10.822 -3.269 1.00 40.53 C ATOM 1198 O PHE A 76 1.812 11.686 -2.485 1.00 43.22 O ATOM 1199 CB PHE A 76 -0.269 9.170 -2.386 1.00 21.51 C ATOM 1200 CG PHE A 76 0.051 9.426 -0.932 1.00 24.43 C ATOM 1201 CD1 PHE A 76 -0.829 10.146 -0.133 1.00 0.35 C ATOM 1202 CD2 PHE A 76 1.226 8.948 -0.362 1.00 72.03 C ATOM 1203 CE1 PHE A 76 -0.544 10.384 1.198 1.00 4.10 C ATOM 1204 CE2 PHE A 76 1.514 9.185 0.970 1.00 62.30 C ATOM 1205 CZ PHE A 76 0.629 9.904 1.750 1.00 11.54 C ATOM 0 H PHE A 76 -0.817 9.116 -4.791 1.00 11.41 H new ATOM 0 HA PHE A 76 -0.650 11.222 -2.927 1.00 15.54 H new ATOM 0 HB2 PHE A 76 -1.307 8.847 -2.468 1.00 21.51 H new ATOM 0 HB3 PHE A 76 0.350 8.347 -2.744 1.00 21.51 H new ATOM 0 HD1 PHE A 76 -1.747 10.524 -0.558 1.00 0.35 H new ATOM 0 HD2 PHE A 76 1.922 8.385 -0.966 1.00 72.03 H new ATOM 0 HE1 PHE A 76 -1.238 10.945 1.807 1.00 4.10 H new ATOM 0 HE2 PHE A 76 2.430 8.808 1.400 1.00 62.30 H new ATOM 0 HZ PHE A 76 0.853 10.091 2.790 1.00 11.54 H new ATOM 1215 N LYS A 77 2.238 10.226 -4.143 1.00 5.04 N ATOM 1216 CA LYS A 77 3.665 10.579 -4.264 1.00 1.23 C ATOM 1217 C LYS A 77 3.868 11.873 -5.078 1.00 3.15 C ATOM 1218 O LYS A 77 5.000 12.318 -5.279 1.00 22.44 O ATOM 1219 CB LYS A 77 4.437 9.423 -4.926 1.00 20.04 C ATOM 1220 CG LYS A 77 3.899 9.052 -6.306 1.00 50.54 C ATOM 1221 CD LYS A 77 4.573 7.810 -6.900 1.00 53.32 C ATOM 1222 CE LYS A 77 5.904 8.123 -7.584 1.00 71.41 C ATOM 1223 NZ LYS A 77 6.973 8.492 -6.622 1.00 24.33 N ATOM 0 H LYS A 77 1.936 9.492 -4.783 1.00 5.04 H new ATOM 0 HA LYS A 77 4.049 10.752 -3.259 1.00 1.23 H new ATOM 0 HB2 LYS A 77 5.487 9.700 -5.015 1.00 20.04 H new ATOM 0 HB3 LYS A 77 4.393 8.547 -4.278 1.00 20.04 H new ATOM 0 HG2 LYS A 77 2.825 8.877 -6.236 1.00 50.54 H new ATOM 0 HG3 LYS A 77 4.041 9.894 -6.983 1.00 50.54 H new ATOM 0 HD2 LYS A 77 4.741 7.080 -6.108 1.00 53.32 H new ATOM 0 HD3 LYS A 77 3.900 7.348 -7.622 1.00 53.32 H new ATOM 0 HE2 LYS A 77 6.224 7.255 -8.160 1.00 71.41 H new ATOM 0 HE3 LYS A 77 5.760 8.940 -8.291 1.00 71.41 H new ATOM 0 HZ1 LYS A 77 7.898 8.446 -7.096 1.00 24.33 H new ATOM 0 HZ2 LYS A 77 6.810 9.459 -6.276 1.00 24.33 H new ATOM 0 HZ3 LYS A 77 6.962 7.830 -5.820 1.00 24.33 H new ATOM 1237 N LYS A 78 2.770 12.467 -5.546 1.00 31.44 N ATOM 1238 CA LYS A 78 2.825 13.672 -6.387 1.00 73.01 C ATOM 1239 C LYS A 78 2.209 14.884 -5.654 1.00 24.24 C ATOM 1240 O LYS A 78 2.781 15.973 -5.637 1.00 33.22 O ATOM 1241 CB LYS A 78 2.079 13.399 -7.711 1.00 12.01 C ATOM 1242 CG LYS A 78 2.562 14.221 -8.910 1.00 25.41 C ATOM 1243 CD LYS A 78 2.332 15.720 -8.733 1.00 32.40 C ATOM 1244 CE LYS A 78 2.692 16.502 -9.990 1.00 34.12 C ATOM 1245 NZ LYS A 78 4.096 16.264 -10.418 1.00 32.34 N ATOM 0 H LYS A 78 1.824 12.134 -5.358 1.00 31.44 H new ATOM 0 HA LYS A 78 3.867 13.912 -6.601 1.00 73.01 H new ATOM 0 HB2 LYS A 78 2.176 12.341 -7.953 1.00 12.01 H new ATOM 0 HB3 LYS A 78 1.018 13.596 -7.559 1.00 12.01 H new ATOM 0 HG2 LYS A 78 3.625 14.037 -9.066 1.00 25.41 H new ATOM 0 HG3 LYS A 78 2.045 13.883 -9.808 1.00 25.41 H new ATOM 0 HD2 LYS A 78 1.287 15.900 -8.480 1.00 32.40 H new ATOM 0 HD3 LYS A 78 2.929 16.083 -7.896 1.00 32.40 H new ATOM 0 HE2 LYS A 78 2.016 16.220 -10.797 1.00 34.12 H new ATOM 0 HE3 LYS A 78 2.545 17.567 -9.808 1.00 34.12 H new ATOM 0 HZ1 LYS A 78 4.333 16.904 -11.203 1.00 32.34 H new ATOM 0 HZ2 LYS A 78 4.738 16.444 -9.619 1.00 32.34 H new ATOM 0 HZ3 LYS A 78 4.201 15.278 -10.731 1.00 32.34 H new