USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 556 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 32 ASN : amide:sc= -4.13 K(o=-5.2,f=-7.2!) USER MOD Set 1.2: A 76 MET CE :methyl -150:sc= -1.05 (180deg=-0.385) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0217) USER MOD Single : A 34 MET CE :methyl 158:sc= -1.14 (180deg=-1.64) USER MOD Single : A 37 TYR OH : rot -130:sc= -0.784 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.83! USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.679 F(o=-1.7,f=-0.68) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.23) USER MOD Single : A 51 ASN : amide:sc= -2.15 X(o=-2.2,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot -44:sc= 0.36 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= -0.287 (180deg=-0.493) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0.129 (180deg=0.12) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.156 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= 0.121 (180deg=-0.311) USER MOD Single : A 82 MET CE :methyl -110:sc= -0.614 (180deg=-2.23!) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.663 4.873 -28.109 1.00 0.00 N ATOM 179 CA LYS A 15 21.870 5.450 -28.691 1.00 0.00 C ATOM 180 C LYS A 15 21.877 6.967 -28.533 1.00 0.00 C ATOM 181 O LYS A 15 22.902 7.559 -28.195 1.00 0.00 O ATOM 182 CB LYS A 15 21.974 5.080 -30.172 1.00 0.00 C ATOM 183 CG LYS A 15 22.322 3.621 -30.412 1.00 0.00 C ATOM 184 CD LYS A 15 22.069 3.217 -31.854 1.00 0.00 C ATOM 185 CE LYS A 15 22.815 1.942 -32.215 1.00 0.00 C ATOM 186 NZ LYS A 15 22.110 1.167 -33.273 1.00 0.00 N ATOM 0 HA LYS A 15 22.731 5.043 -28.160 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.026 5.304 -30.661 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.731 5.707 -30.642 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.370 3.450 -30.164 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.731 2.991 -29.748 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.000 3.071 -32.010 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.381 4.023 -32.519 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.819 2.193 -32.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.927 1.323 -31.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.650 0.305 -33.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.161 0.905 -32.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.025 1.748 -34.131 1.00 0.00 H new ATOM 200 N GLU A 16 20.729 7.589 -28.779 1.00 0.00 N ATOM 201 CA GLU A 16 20.605 9.038 -28.664 1.00 0.00 C ATOM 202 C GLU A 16 20.348 9.448 -27.216 1.00 0.00 C ATOM 203 O GLU A 16 21.002 10.347 -26.689 1.00 0.00 O ATOM 204 CB GLU A 16 19.474 9.548 -29.558 1.00 0.00 C ATOM 205 CG GLU A 16 18.375 8.525 -29.794 1.00 0.00 C ATOM 206 CD GLU A 16 17.162 9.120 -30.482 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.321 9.673 -31.591 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.054 9.033 -29.913 1.00 0.00 O ATOM 0 H GLU A 16 19.871 7.113 -29.059 1.00 0.00 H new ATOM 0 HA GLU A 16 21.545 9.485 -28.989 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.038 10.439 -29.105 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.890 9.850 -30.519 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.768 7.709 -30.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.072 8.096 -28.839 1.00 0.00 H new ATOM 215 N VAL A 17 19.390 8.781 -26.580 1.00 0.00 N ATOM 216 CA VAL A 17 19.046 9.074 -25.193 1.00 0.00 C ATOM 217 C VAL A 17 19.234 10.555 -24.882 1.00 0.00 C ATOM 218 O VAL A 17 19.562 10.927 -23.756 1.00 0.00 O ATOM 219 CB VAL A 17 19.899 8.244 -24.216 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.280 8.861 -24.054 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.199 8.121 -22.871 1.00 0.00 C ATOM 0 H VAL A 17 18.838 8.034 -27.003 1.00 0.00 H new ATOM 0 HA VAL A 17 17.997 8.808 -25.064 1.00 0.00 H new ATOM 0 HB VAL A 17 20.022 7.243 -24.629 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.868 8.260 -23.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.781 8.891 -25.022 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.182 9.874 -23.664 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.816 7.531 -22.193 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.043 9.114 -22.450 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.236 7.629 -23.006 1.00 0.00 H new ATOM 231 N VAL A 18 19.022 11.397 -25.889 1.00 0.00 N ATOM 232 CA VAL A 18 19.166 12.838 -25.723 1.00 0.00 C ATOM 233 C VAL A 18 17.862 13.561 -26.039 1.00 0.00 C ATOM 234 O VAL A 18 17.483 14.510 -25.352 1.00 0.00 O ATOM 235 CB VAL A 18 20.282 13.399 -26.625 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.649 12.967 -26.114 1.00 0.00 C ATOM 237 CG2 VAL A 18 20.077 12.953 -28.065 1.00 0.00 C ATOM 0 H VAL A 18 18.750 11.106 -26.828 1.00 0.00 H new ATOM 0 HA VAL A 18 19.431 13.011 -24.680 1.00 0.00 H new ATOM 0 HB VAL A 18 20.237 14.488 -26.596 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.425 13.372 -26.763 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.793 13.340 -25.100 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.709 11.879 -26.112 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.874 13.358 -28.688 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.095 11.864 -28.115 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.115 13.317 -28.425 1.00 0.00 H new ATOM 247 N TYR A 19 17.178 13.106 -27.083 1.00 0.00 N ATOM 248 CA TYR A 19 15.916 13.711 -27.493 1.00 0.00 C ATOM 249 C TYR A 19 14.749 13.123 -26.705 1.00 0.00 C ATOM 250 O TYR A 19 13.586 13.397 -27.000 1.00 0.00 O ATOM 251 CB TYR A 19 15.690 13.504 -28.991 1.00 0.00 C ATOM 252 CG TYR A 19 16.904 13.818 -29.836 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.181 15.121 -30.233 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.775 12.813 -30.238 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.288 15.413 -31.005 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.886 13.095 -31.009 1.00 0.00 C ATOM 257 CZ TYR A 19 19.138 14.397 -31.390 1.00 0.00 C ATOM 258 OH TYR A 19 20.243 14.682 -32.159 1.00 0.00 O ATOM 0 H TYR A 19 17.476 12.320 -27.661 1.00 0.00 H new ATOM 0 HA TYR A 19 15.970 14.780 -27.285 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.394 12.470 -29.166 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.860 14.132 -29.315 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.519 15.919 -29.932 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.580 11.793 -29.942 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.487 16.431 -31.306 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.553 12.301 -31.312 1.00 0.00 H new ATOM 0 HH TYR A 19 20.737 13.855 -32.342 1.00 0.00 H new ATOM 268 N TRP A 20 15.070 12.314 -25.702 1.00 0.00 N ATOM 269 CA TRP A 20 14.049 11.687 -24.870 1.00 0.00 C ATOM 270 C TRP A 20 13.097 12.731 -24.297 1.00 0.00 C ATOM 271 O TRP A 20 13.425 13.916 -24.237 1.00 0.00 O ATOM 272 CB TRP A 20 14.701 10.895 -23.736 1.00 0.00 C ATOM 273 CG TRP A 20 15.147 9.525 -24.147 1.00 0.00 C ATOM 274 CD1 TRP A 20 15.128 9.001 -25.409 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.675 8.503 -23.294 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.613 7.716 -25.391 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.956 7.387 -24.106 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.940 8.423 -21.925 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.487 6.207 -23.591 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.466 7.252 -21.415 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.736 6.157 -22.247 1.00 0.00 C ATOM 0 H TRP A 20 16.028 12.077 -25.445 1.00 0.00 H new ATOM 0 HA TRP A 20 13.475 11.004 -25.496 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.560 11.452 -23.361 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.994 10.807 -22.911 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.783 9.521 -26.291 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.703 7.105 -26.203 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.737 9.262 -21.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.695 5.362 -24.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.673 7.179 -20.357 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.149 5.256 -21.818 1.00 0.00 H new ATOM 292 N SER A 21 11.918 12.283 -23.876 1.00 0.00 N ATOM 293 CA SER A 21 10.918 13.181 -23.310 1.00 0.00 C ATOM 294 C SER A 21 11.178 13.417 -21.825 1.00 0.00 C ATOM 295 O SER A 21 11.971 12.722 -21.189 1.00 0.00 O ATOM 296 CB SER A 21 9.515 12.604 -23.507 1.00 0.00 C ATOM 297 OG SER A 21 9.565 11.205 -23.731 1.00 0.00 O ATOM 0 H SER A 21 11.632 11.305 -23.916 1.00 0.00 H new ATOM 0 HA SER A 21 10.988 14.136 -23.830 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.906 12.813 -22.628 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.033 13.094 -24.353 1.00 0.00 H new ATOM 0 HG SER A 21 8.656 10.860 -23.852 1.00 0.00 H new ATOM 303 N PRO A 22 10.495 14.422 -21.258 1.00 0.00 N ATOM 304 CA PRO A 22 10.634 14.775 -19.842 1.00 0.00 C ATOM 305 C PRO A 22 10.036 13.718 -18.920 1.00 0.00 C ATOM 306 O PRO A 22 10.307 13.702 -17.719 1.00 0.00 O ATOM 307 CB PRO A 22 9.857 16.088 -19.725 1.00 0.00 C ATOM 308 CG PRO A 22 8.865 16.041 -20.836 1.00 0.00 C ATOM 309 CD PRO A 22 9.533 15.292 -21.956 1.00 0.00 C ATOM 0 HA PRO A 22 11.679 14.855 -19.543 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.363 16.171 -18.757 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.518 16.949 -19.821 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.950 15.538 -20.521 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.584 17.046 -21.151 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.815 14.713 -22.537 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.032 15.968 -22.650 1.00 0.00 H new ATOM 317 N LYS A 23 9.222 12.835 -19.489 1.00 0.00 N ATOM 318 CA LYS A 23 8.587 11.773 -18.719 1.00 0.00 C ATOM 319 C LYS A 23 9.377 10.473 -18.830 1.00 0.00 C ATOM 320 O LYS A 23 9.404 9.669 -17.897 1.00 0.00 O ATOM 321 CB LYS A 23 7.152 11.552 -19.203 1.00 0.00 C ATOM 322 CG LYS A 23 6.203 11.097 -18.108 1.00 0.00 C ATOM 323 CD LYS A 23 5.962 12.195 -17.086 1.00 0.00 C ATOM 324 CE LYS A 23 4.851 11.821 -16.117 1.00 0.00 C ATOM 325 NZ LYS A 23 5.267 10.736 -15.187 1.00 0.00 N ATOM 0 H LYS A 23 8.987 12.834 -20.481 1.00 0.00 H new ATOM 0 HA LYS A 23 8.569 12.079 -17.673 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.777 12.480 -19.635 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.157 10.808 -20.000 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.253 10.796 -18.550 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.615 10.219 -17.610 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.881 12.385 -16.532 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.702 13.121 -17.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.560 12.700 -15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.973 11.501 -16.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.482 10.511 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.521 9.888 -15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.089 11.050 -14.633 1.00 0.00 H new ATOM 339 N LYS A 24 10.020 10.273 -19.975 1.00 0.00 N ATOM 340 CA LYS A 24 10.813 9.072 -20.208 1.00 0.00 C ATOM 341 C LYS A 24 12.026 9.033 -19.284 1.00 0.00 C ATOM 342 O LYS A 24 12.237 8.059 -18.561 1.00 0.00 O ATOM 343 CB LYS A 24 11.269 9.012 -21.668 1.00 0.00 C ATOM 344 CG LYS A 24 12.469 8.108 -21.893 1.00 0.00 C ATOM 345 CD LYS A 24 12.213 6.702 -21.378 1.00 0.00 C ATOM 346 CE LYS A 24 13.390 5.781 -21.660 1.00 0.00 C ATOM 347 NZ LYS A 24 13.357 4.561 -20.807 1.00 0.00 N ATOM 0 H LYS A 24 10.007 10.928 -20.757 1.00 0.00 H new ATOM 0 HA LYS A 24 10.187 8.206 -19.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.441 8.663 -22.285 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.515 10.019 -22.005 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.702 8.070 -22.957 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.341 8.527 -21.391 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.025 6.735 -20.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.315 6.300 -21.847 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.380 5.490 -22.710 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.322 6.320 -21.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.210 3.993 -20.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.324 4.839 -19.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.513 3.998 -21.038 1.00 0.00 H new ATOM 361 N VAL A 25 12.820 10.099 -19.311 1.00 0.00 N ATOM 362 CA VAL A 25 14.011 10.187 -18.474 1.00 0.00 C ATOM 363 C VAL A 25 13.740 9.646 -17.074 1.00 0.00 C ATOM 364 O VAL A 25 14.586 8.978 -16.481 1.00 0.00 O ATOM 365 CB VAL A 25 14.513 11.639 -18.363 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.626 11.742 -17.332 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.983 12.144 -19.719 1.00 0.00 C ATOM 0 H VAL A 25 12.660 10.914 -19.903 1.00 0.00 H new ATOM 0 HA VAL A 25 14.780 9.580 -18.952 1.00 0.00 H new ATOM 0 HB VAL A 25 13.686 12.267 -18.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.968 12.775 -17.268 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.252 11.422 -16.359 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.457 11.103 -17.629 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.334 13.171 -19.623 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.796 11.514 -20.080 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.155 12.109 -20.427 1.00 0.00 H new ATOM 377 N ALA A 26 12.553 9.940 -16.552 1.00 0.00 N ATOM 378 CA ALA A 26 12.170 9.481 -15.223 1.00 0.00 C ATOM 379 C ALA A 26 11.998 7.966 -15.193 1.00 0.00 C ATOM 380 O ALA A 26 12.648 7.274 -14.409 1.00 0.00 O ATOM 381 CB ALA A 26 10.887 10.168 -14.777 1.00 0.00 C ATOM 0 H ALA A 26 11.841 10.493 -17.029 1.00 0.00 H new ATOM 0 HA ALA A 26 12.970 9.743 -14.531 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.612 9.816 -13.783 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.042 11.247 -14.750 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.086 9.934 -15.479 1.00 0.00 H new ATOM 387 N ASP A 27 11.121 7.457 -16.051 1.00 0.00 N ATOM 388 CA ASP A 27 10.864 6.024 -16.122 1.00 0.00 C ATOM 389 C ASP A 27 12.172 5.239 -16.153 1.00 0.00 C ATOM 390 O ASP A 27 12.253 4.129 -15.627 1.00 0.00 O ATOM 391 CB ASP A 27 10.028 5.695 -17.360 1.00 0.00 C ATOM 392 CG ASP A 27 8.539 5.744 -17.083 1.00 0.00 C ATOM 393 OD1 ASP A 27 7.947 6.837 -17.205 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.964 4.688 -16.744 1.00 0.00 O ATOM 0 H ASP A 27 10.576 8.016 -16.707 1.00 0.00 H new ATOM 0 HA ASP A 27 10.308 5.734 -15.230 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.270 6.400 -18.156 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.295 4.702 -17.722 1.00 0.00 H new ATOM 399 N TRP A 28 13.191 5.822 -16.773 1.00 0.00 N ATOM 400 CA TRP A 28 14.495 5.176 -16.873 1.00 0.00 C ATOM 401 C TRP A 28 15.165 5.088 -15.506 1.00 0.00 C ATOM 402 O TRP A 28 15.904 4.144 -15.225 1.00 0.00 O ATOM 403 CB TRP A 28 15.393 5.942 -17.846 1.00 0.00 C ATOM 404 CG TRP A 28 16.813 5.462 -17.847 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.297 4.333 -18.445 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.932 6.096 -17.218 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.649 4.228 -18.226 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.063 5.297 -17.477 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.089 7.262 -16.464 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.331 5.628 -17.006 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.348 7.589 -15.998 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.456 6.775 -16.271 1.00 0.00 C ATOM 0 H TRP A 28 13.140 6.740 -17.214 1.00 0.00 H new ATOM 0 HA TRP A 28 14.344 4.164 -17.249 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.986 5.852 -18.853 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.375 7.001 -17.589 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.704 3.627 -19.007 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.248 3.476 -18.566 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.242 7.896 -16.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.186 5.001 -17.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.481 8.487 -15.413 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.427 7.059 -15.894 1.00 0.00 H new ATOM 423 N LEU A 29 14.903 6.077 -14.659 1.00 0.00 N ATOM 424 CA LEU A 29 15.481 6.111 -13.320 1.00 0.00 C ATOM 425 C LEU A 29 14.928 4.980 -12.459 1.00 0.00 C ATOM 426 O LEU A 29 15.664 4.081 -12.048 1.00 0.00 O ATOM 427 CB LEU A 29 15.197 7.459 -12.654 1.00 0.00 C ATOM 428 CG LEU A 29 15.782 8.688 -13.351 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.151 9.960 -12.807 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.294 8.726 -13.184 1.00 0.00 C ATOM 0 H LEU A 29 14.294 6.866 -14.875 1.00 0.00 H new ATOM 0 HA LEU A 29 16.559 5.978 -13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.117 7.586 -12.583 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.582 7.426 -11.635 1.00 0.00 H new ATOM 0 HG LEU A 29 15.556 8.621 -14.415 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.579 10.824 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.075 9.935 -12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.346 10.034 -11.737 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.693 9.607 -13.686 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.542 8.769 -12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.731 7.829 -13.623 1.00 0.00 H new ATOM 442 N LEU A 30 13.628 5.028 -12.192 1.00 0.00 N ATOM 443 CA LEU A 30 12.975 4.005 -11.382 1.00 0.00 C ATOM 444 C LEU A 30 13.319 2.608 -11.887 1.00 0.00 C ATOM 445 O LEU A 30 13.423 1.663 -11.105 1.00 0.00 O ATOM 446 CB LEU A 30 11.458 4.206 -11.397 1.00 0.00 C ATOM 447 CG LEU A 30 10.971 5.650 -11.272 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.904 6.452 -10.378 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.859 6.296 -12.645 1.00 0.00 C ATOM 0 H LEU A 30 13.005 5.764 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 30 13.338 4.101 -10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.066 3.790 -12.325 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.027 3.626 -10.581 1.00 0.00 H new ATOM 0 HG LEU A 30 9.981 5.641 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.542 7.477 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.933 6.002 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.906 6.453 -10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.511 7.323 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.835 6.293 -13.129 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.150 5.735 -13.254 1.00 0.00 H new ATOM 461 N GLU A 31 13.498 2.486 -13.199 1.00 0.00 N ATOM 462 CA GLU A 31 13.833 1.204 -13.808 1.00 0.00 C ATOM 463 C GLU A 31 15.070 0.598 -13.153 1.00 0.00 C ATOM 464 O GLU A 31 15.221 -0.622 -13.097 1.00 0.00 O ATOM 465 CB GLU A 31 14.068 1.374 -15.310 1.00 0.00 C ATOM 466 CG GLU A 31 14.629 0.132 -15.982 1.00 0.00 C ATOM 467 CD GLU A 31 16.145 0.095 -15.969 1.00 0.00 C ATOM 468 OE1 GLU A 31 16.761 0.696 -16.874 1.00 0.00 O ATOM 469 OE2 GLU A 31 16.715 -0.535 -15.054 1.00 0.00 O ATOM 0 H GLU A 31 13.417 3.259 -13.860 1.00 0.00 H new ATOM 0 HA GLU A 31 12.993 0.526 -13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.126 1.642 -15.789 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.755 2.205 -15.470 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.243 -0.754 -15.478 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.277 0.091 -17.013 1.00 0.00 H new ATOM 476 N ASN A 32 15.953 1.459 -12.658 1.00 0.00 N ATOM 477 CA ASN A 32 17.179 1.010 -12.008 1.00 0.00 C ATOM 478 C ASN A 32 17.165 1.357 -10.522 1.00 0.00 C ATOM 479 O ASN A 32 18.195 1.300 -9.851 1.00 0.00 O ATOM 480 CB ASN A 32 18.399 1.642 -12.679 1.00 0.00 C ATOM 481 CG ASN A 32 18.492 1.296 -14.153 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.934 0.207 -14.519 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.076 2.225 -15.006 1.00 0.00 N ATOM 0 H ASN A 32 15.842 2.472 -12.695 1.00 0.00 H new ATOM 0 HA ASN A 32 17.238 -0.074 -12.110 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.353 2.725 -12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.304 1.307 -12.172 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.115 2.050 -16.010 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.717 3.114 -14.657 1.00 0.00 H new ATOM 490 N ALA A 33 15.990 1.716 -10.015 1.00 0.00 N ATOM 491 CA ALA A 33 15.841 2.069 -8.609 1.00 0.00 C ATOM 492 C ALA A 33 16.509 3.406 -8.305 1.00 0.00 C ATOM 493 O ALA A 33 17.288 3.520 -7.359 1.00 0.00 O ATOM 494 CB ALA A 33 16.419 0.974 -7.725 1.00 0.00 C ATOM 0 H ALA A 33 15.128 1.770 -10.557 1.00 0.00 H new ATOM 0 HA ALA A 33 14.777 2.168 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.301 1.252 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.893 0.038 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.478 0.847 -7.949 1.00 0.00 H new ATOM 500 N MET A 34 16.200 4.414 -9.113 1.00 0.00 N ATOM 501 CA MET A 34 16.772 5.743 -8.930 1.00 0.00 C ATOM 502 C MET A 34 15.676 6.799 -8.831 1.00 0.00 C ATOM 503 O MET A 34 15.716 7.834 -9.496 1.00 0.00 O ATOM 504 CB MET A 34 17.717 6.079 -10.086 1.00 0.00 C ATOM 505 CG MET A 34 18.704 4.968 -10.407 1.00 0.00 C ATOM 506 SD MET A 34 20.261 5.592 -11.069 1.00 0.00 S ATOM 507 CE MET A 34 19.828 5.823 -12.791 1.00 0.00 C ATOM 0 H MET A 34 15.557 4.336 -9.901 1.00 0.00 H new ATOM 0 HA MET A 34 17.336 5.742 -7.997 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.126 6.297 -10.976 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.270 6.986 -9.840 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.903 4.392 -9.503 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.255 4.285 -11.128 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.510 6.542 -13.244 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.903 4.871 -13.316 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.807 6.197 -12.862 1.00 0.00 H new ATOM 517 N PRO A 35 14.672 6.532 -7.983 1.00 0.00 N ATOM 518 CA PRO A 35 13.545 7.447 -7.778 1.00 0.00 C ATOM 519 C PRO A 35 13.957 8.719 -7.045 1.00 0.00 C ATOM 520 O PRO A 35 13.188 9.677 -6.966 1.00 0.00 O ATOM 521 CB PRO A 35 12.574 6.628 -6.923 1.00 0.00 C ATOM 522 CG PRO A 35 13.434 5.641 -6.213 1.00 0.00 C ATOM 523 CD PRO A 35 14.559 5.318 -7.157 1.00 0.00 C ATOM 0 HA PRO A 35 13.120 7.788 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.035 7.262 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.826 6.130 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.815 6.055 -5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.870 4.744 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.485 5.109 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.336 4.440 -7.762 1.00 0.00 H new ATOM 531 N GLU A 36 15.174 8.722 -6.512 1.00 0.00 N ATOM 532 CA GLU A 36 15.687 9.877 -5.785 1.00 0.00 C ATOM 533 C GLU A 36 16.068 11.000 -6.746 1.00 0.00 C ATOM 534 O GLU A 36 16.033 12.177 -6.387 1.00 0.00 O ATOM 535 CB GLU A 36 16.899 9.480 -4.941 1.00 0.00 C ATOM 536 CG GLU A 36 17.795 8.450 -5.609 1.00 0.00 C ATOM 537 CD GLU A 36 17.376 7.026 -5.301 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.227 6.828 -4.854 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.198 6.108 -5.508 1.00 0.00 O ATOM 0 H GLU A 36 15.823 7.938 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 36 14.898 10.238 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.486 10.372 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.552 9.083 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.778 8.604 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.823 8.601 -5.281 1.00 0.00 H new ATOM 546 N TYR A 37 16.432 10.627 -7.967 1.00 0.00 N ATOM 547 CA TYR A 37 16.823 11.601 -8.979 1.00 0.00 C ATOM 548 C TYR A 37 15.622 12.026 -9.819 1.00 0.00 C ATOM 549 O TYR A 37 15.699 12.980 -10.593 1.00 0.00 O ATOM 550 CB TYR A 37 17.912 11.019 -9.883 1.00 0.00 C ATOM 551 CG TYR A 37 19.234 10.810 -9.181 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.026 11.890 -8.813 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.691 9.531 -8.884 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.236 11.703 -8.172 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.898 9.335 -8.242 1.00 0.00 C ATOM 556 CZ TYR A 37 21.667 10.424 -7.888 1.00 0.00 C ATOM 557 OH TYR A 37 22.871 10.234 -7.249 1.00 0.00 O ATOM 0 H TYR A 37 16.465 9.657 -8.280 1.00 0.00 H new ATOM 0 HA TYR A 37 17.215 12.480 -8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.568 10.065 -10.284 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.062 11.686 -10.732 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.691 12.893 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.092 8.676 -9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.841 12.554 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.238 8.335 -8.018 1.00 0.00 H new ATOM 0 HH TYR A 37 23.401 9.572 -7.740 1.00 0.00 H new ATOM 567 N CYS A 38 14.514 11.311 -9.659 1.00 0.00 N ATOM 568 CA CYS A 38 13.296 11.612 -10.402 1.00 0.00 C ATOM 569 C CYS A 38 12.818 13.031 -10.110 1.00 0.00 C ATOM 570 O CYS A 38 12.308 13.718 -10.994 1.00 0.00 O ATOM 571 CB CYS A 38 12.197 10.608 -10.050 1.00 0.00 C ATOM 572 SG CYS A 38 10.960 10.382 -11.349 1.00 0.00 S ATOM 0 H CYS A 38 14.434 10.519 -9.021 1.00 0.00 H new ATOM 0 HA CYS A 38 13.521 11.535 -11.466 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.657 9.645 -9.830 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.696 10.938 -9.140 1.00 0.00 H new ATOM 0 HG CYS A 38 10.075 9.514 -10.959 1.00 0.00 H new ATOM 578 N GLU A 39 12.985 13.461 -8.863 1.00 0.00 N ATOM 579 CA GLU A 39 12.569 14.798 -8.455 1.00 0.00 C ATOM 580 C GLU A 39 13.299 15.866 -9.265 1.00 0.00 C ATOM 581 O GLU A 39 12.689 16.677 -9.962 1.00 0.00 O ATOM 582 CB GLU A 39 12.834 15.005 -6.962 1.00 0.00 C ATOM 583 CG GLU A 39 11.635 14.694 -6.082 1.00 0.00 C ATOM 584 CD GLU A 39 11.995 14.617 -4.611 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.522 13.569 -4.183 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.750 15.605 -3.888 1.00 0.00 O ATOM 0 H GLU A 39 13.405 12.904 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 39 11.499 14.891 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.670 14.374 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.138 16.038 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.874 15.461 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.196 13.747 -6.395 1.00 0.00 H new ATOM 593 N PRO A 40 14.637 15.868 -9.172 1.00 0.00 N ATOM 594 CA PRO A 40 15.479 16.830 -9.889 1.00 0.00 C ATOM 595 C PRO A 40 15.486 16.585 -11.394 1.00 0.00 C ATOM 596 O PRO A 40 15.857 17.463 -12.174 1.00 0.00 O ATOM 597 CB PRO A 40 16.872 16.589 -9.301 1.00 0.00 C ATOM 598 CG PRO A 40 16.841 15.180 -8.818 1.00 0.00 C ATOM 599 CD PRO A 40 15.431 14.930 -8.360 1.00 0.00 C ATOM 0 HA PRO A 40 15.122 17.853 -9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.649 16.733 -10.052 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.083 17.282 -8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.121 14.489 -9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.548 15.032 -8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.130 13.896 -8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.315 15.124 -7.294 1.00 0.00 H new ATOM 607 N LEU A 41 15.074 15.388 -11.796 1.00 0.00 N ATOM 608 CA LEU A 41 15.034 15.027 -13.209 1.00 0.00 C ATOM 609 C LEU A 41 13.596 14.970 -13.715 1.00 0.00 C ATOM 610 O LEU A 41 13.338 14.506 -14.825 1.00 0.00 O ATOM 611 CB LEU A 41 15.719 13.677 -13.431 1.00 0.00 C ATOM 612 CG LEU A 41 17.163 13.568 -12.939 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.647 12.129 -13.020 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.071 14.485 -13.746 1.00 0.00 C ATOM 0 H LEU A 41 14.763 14.651 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 41 15.568 15.794 -13.770 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.128 12.907 -12.935 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.702 13.455 -14.498 1.00 0.00 H new ATOM 0 HG LEU A 41 17.197 13.882 -11.896 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.676 12.071 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.013 11.496 -12.399 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.599 11.787 -14.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.095 14.395 -13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.033 14.201 -14.798 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.737 15.517 -13.636 1.00 0.00 H new ATOM 626 N GLU A 42 12.666 15.447 -12.894 1.00 0.00 N ATOM 627 CA GLU A 42 11.254 15.451 -13.261 1.00 0.00 C ATOM 628 C GLU A 42 11.044 16.136 -14.609 1.00 0.00 C ATOM 629 O GLU A 42 10.290 15.651 -15.453 1.00 0.00 O ATOM 630 CB GLU A 42 10.427 16.157 -12.184 1.00 0.00 C ATOM 631 CG GLU A 42 10.780 17.624 -12.009 1.00 0.00 C ATOM 632 CD GLU A 42 10.184 18.221 -10.749 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.509 17.481 -10.003 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.393 19.429 -10.509 1.00 0.00 O ATOM 0 H GLU A 42 12.864 15.835 -11.972 1.00 0.00 H new ATOM 0 HA GLU A 42 10.923 14.416 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.370 16.074 -12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.568 15.642 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.864 17.732 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.427 18.185 -12.874 1.00 0.00 H new ATOM 641 N HIS A 43 11.716 17.266 -14.803 1.00 0.00 N ATOM 642 CA HIS A 43 11.604 18.018 -16.048 1.00 0.00 C ATOM 643 C HIS A 43 12.904 17.951 -16.843 1.00 0.00 C ATOM 644 O HIS A 43 13.227 18.864 -17.603 1.00 0.00 O ATOM 645 CB HIS A 43 11.244 19.475 -15.757 1.00 0.00 C ATOM 646 CG HIS A 43 11.921 20.028 -14.541 1.00 0.00 C ATOM 647 ND1 HIS A 43 11.414 20.433 -13.353 1.00 0.00 N flip ATOM 648 CD2 HIS A 43 13.284 20.218 -14.459 1.00 0.00 C flip ATOM 649 CE1 HIS A 43 12.469 20.856 -12.583 1.00 0.00 C flip ATOM 650 NE2 HIS A 43 13.587 20.715 -13.273 1.00 0.00 N flip ATOM 0 H HIS A 43 12.344 17.681 -14.114 1.00 0.00 H new ATOM 0 HA HIS A 43 10.811 17.568 -16.645 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.510 20.086 -16.620 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.164 19.555 -15.630 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.993 19.995 -15.242 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.397 21.241 -11.577 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.524 20.950 -12.946 1.00 0.00 H new ATOM 658 N PHE A 44 13.648 16.864 -16.661 1.00 0.00 N ATOM 659 CA PHE A 44 14.914 16.680 -17.360 1.00 0.00 C ATOM 660 C PHE A 44 14.723 15.843 -18.621 1.00 0.00 C ATOM 661 O PHE A 44 13.910 14.919 -18.651 1.00 0.00 O ATOM 662 CB PHE A 44 15.935 16.008 -16.439 1.00 0.00 C ATOM 663 CG PHE A 44 16.792 16.982 -15.682 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.216 17.957 -14.883 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.173 16.923 -15.768 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.002 18.855 -14.186 1.00 0.00 C ATOM 667 CE2 PHE A 44 18.965 17.818 -15.073 1.00 0.00 C ATOM 668 CZ PHE A 44 18.378 18.785 -14.280 1.00 0.00 C ATOM 0 H PHE A 44 13.396 16.098 -16.036 1.00 0.00 H new ATOM 0 HA PHE A 44 15.286 17.662 -17.650 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.408 15.372 -15.728 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.577 15.358 -17.034 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.140 18.016 -14.804 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.637 16.168 -16.386 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.540 19.611 -13.568 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.041 17.761 -15.150 1.00 0.00 H new ATOM 0 HZ PHE A 44 18.994 19.485 -13.735 1.00 0.00 H new ATOM 678 N THR A 45 15.479 16.174 -19.664 1.00 0.00 N ATOM 679 CA THR A 45 15.392 15.457 -20.930 1.00 0.00 C ATOM 680 C THR A 45 16.656 14.646 -21.190 1.00 0.00 C ATOM 681 O THR A 45 17.757 15.060 -20.829 1.00 0.00 O ATOM 682 CB THR A 45 15.163 16.422 -22.108 1.00 0.00 C ATOM 683 OG1 THR A 45 16.033 17.553 -21.990 1.00 0.00 O ATOM 684 CG2 THR A 45 13.717 16.890 -22.151 1.00 0.00 C ATOM 0 H THR A 45 16.159 16.935 -19.656 1.00 0.00 H new ATOM 0 HA THR A 45 14.540 14.782 -20.853 1.00 0.00 H new ATOM 0 HB THR A 45 15.383 15.890 -23.033 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.883 18.161 -22.743 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.580 17.571 -22.991 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.059 16.029 -22.270 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.474 17.406 -21.222 1.00 0.00 H new ATOM 692 N GLY A 46 16.490 13.486 -21.819 1.00 0.00 N ATOM 693 CA GLY A 46 17.627 12.634 -22.116 1.00 0.00 C ATOM 694 C GLY A 46 18.905 13.424 -22.323 1.00 0.00 C ATOM 695 O GLY A 46 19.950 13.080 -21.771 1.00 0.00 O ATOM 0 H GLY A 46 15.589 13.121 -22.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.769 11.926 -21.300 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.415 12.050 -23.012 1.00 0.00 H new ATOM 699 N GLN A 47 18.821 14.484 -23.120 1.00 0.00 N ATOM 700 CA GLN A 47 19.980 15.322 -23.400 1.00 0.00 C ATOM 701 C GLN A 47 20.524 15.945 -22.118 1.00 0.00 C ATOM 702 O GLN A 47 21.719 15.862 -21.834 1.00 0.00 O ATOM 703 CB GLN A 47 19.613 16.421 -24.399 1.00 0.00 C ATOM 704 CG GLN A 47 20.782 17.316 -24.777 1.00 0.00 C ATOM 705 CD GLN A 47 21.633 16.726 -25.885 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.325 16.880 -27.068 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.710 16.048 -25.508 1.00 0.00 N ATOM 0 H GLN A 47 17.963 14.783 -23.583 1.00 0.00 H new ATOM 0 HA GLN A 47 20.756 14.691 -23.834 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.212 15.960 -25.302 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.819 17.035 -23.975 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.403 18.288 -25.093 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.404 17.486 -23.898 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.927 15.945 -24.517 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.321 15.630 -26.210 1.00 0.00 H new ATOM 716 N ASP A 48 19.639 16.569 -21.348 1.00 0.00 N ATOM 717 CA ASP A 48 20.030 17.205 -20.095 1.00 0.00 C ATOM 718 C ASP A 48 20.513 16.167 -19.087 1.00 0.00 C ATOM 719 O ASP A 48 21.456 16.411 -18.332 1.00 0.00 O ATOM 720 CB ASP A 48 18.857 17.994 -19.511 1.00 0.00 C ATOM 721 CG ASP A 48 18.705 19.361 -20.148 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.043 19.453 -21.203 1.00 0.00 O ATOM 723 OD2 ASP A 48 19.248 20.339 -19.593 1.00 0.00 O ATOM 0 H ASP A 48 18.646 16.648 -21.569 1.00 0.00 H new ATOM 0 HA ASP A 48 20.851 17.891 -20.305 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.936 17.427 -19.650 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.000 18.111 -18.437 1.00 0.00 H new ATOM 728 N LEU A 49 19.861 15.010 -19.078 1.00 0.00 N ATOM 729 CA LEU A 49 20.224 13.934 -18.162 1.00 0.00 C ATOM 730 C LEU A 49 21.665 13.488 -18.389 1.00 0.00 C ATOM 731 O LEU A 49 22.467 13.449 -17.455 1.00 0.00 O ATOM 732 CB LEU A 49 19.277 12.746 -18.339 1.00 0.00 C ATOM 733 CG LEU A 49 19.643 11.475 -17.571 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.389 10.718 -17.163 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.554 10.590 -18.408 1.00 0.00 C ATOM 0 H LEU A 49 19.078 14.793 -19.695 1.00 0.00 H new ATOM 0 HA LEU A 49 20.136 14.312 -17.144 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.277 13.055 -18.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.226 12.503 -19.400 1.00 0.00 H new ATOM 0 HG LEU A 49 20.179 11.762 -16.667 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.669 9.817 -16.618 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.773 11.351 -16.525 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.824 10.442 -18.054 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.804 9.690 -17.846 1.00 0.00 H new ATOM 0 HD22 LEU A 49 20.044 10.311 -19.330 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.468 11.133 -18.649 1.00 0.00 H new ATOM 747 N ILE A 50 21.987 13.155 -19.634 1.00 0.00 N ATOM 748 CA ILE A 50 23.332 12.717 -19.984 1.00 0.00 C ATOM 749 C ILE A 50 24.342 13.846 -19.806 1.00 0.00 C ATOM 750 O ILE A 50 25.543 13.606 -19.696 1.00 0.00 O ATOM 751 CB ILE A 50 23.399 12.208 -21.436 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.221 13.369 -22.415 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.340 11.141 -21.672 1.00 0.00 C ATOM 754 CD1 ILE A 50 24.001 13.202 -23.700 1.00 0.00 C ATOM 0 H ILE A 50 21.334 13.180 -20.418 1.00 0.00 H new ATOM 0 HA ILE A 50 23.582 11.899 -19.309 1.00 0.00 H new ATOM 0 HB ILE A 50 24.379 11.763 -21.605 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.162 13.473 -22.653 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.531 14.294 -21.929 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.400 10.791 -22.703 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.509 10.304 -20.994 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.352 11.562 -21.489 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.827 14.063 -24.346 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.065 13.128 -23.473 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.675 12.295 -24.208 1.00 0.00 H new ATOM 766 N ASN A 51 23.844 15.078 -19.777 1.00 0.00 N ATOM 767 CA ASN A 51 24.703 16.245 -19.612 1.00 0.00 C ATOM 768 C ASN A 51 25.067 16.450 -18.144 1.00 0.00 C ATOM 769 O ASN A 51 25.682 17.453 -17.779 1.00 0.00 O ATOM 770 CB ASN A 51 24.009 17.496 -20.156 1.00 0.00 C ATOM 771 CG ASN A 51 23.954 17.513 -21.671 1.00 0.00 C ATOM 772 OD1 ASN A 51 24.730 16.830 -22.340 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.032 18.296 -22.220 1.00 0.00 N ATOM 0 H ASN A 51 22.851 15.294 -19.866 1.00 0.00 H new ATOM 0 HA ASN A 51 25.620 16.072 -20.175 1.00 0.00 H new ATOM 0 HB2 ASN A 51 22.996 17.548 -19.758 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.536 18.383 -19.804 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.946 18.348 -23.235 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.410 18.845 -21.627 1.00 0.00 H new ATOM 780 N LEU A 52 24.684 15.492 -17.307 1.00 0.00 N ATOM 781 CA LEU A 52 24.971 15.566 -15.878 1.00 0.00 C ATOM 782 C LEU A 52 26.385 15.076 -15.581 1.00 0.00 C ATOM 783 O LEU A 52 26.820 14.048 -16.100 1.00 0.00 O ATOM 784 CB LEU A 52 23.955 14.736 -15.091 1.00 0.00 C ATOM 785 CG LEU A 52 22.537 15.303 -15.018 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.659 14.434 -14.131 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.561 16.736 -14.507 1.00 0.00 C ATOM 0 H LEU A 52 24.175 14.656 -17.592 1.00 0.00 H new ATOM 0 HA LEU A 52 24.896 16.609 -15.570 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.905 13.742 -15.536 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.328 14.611 -14.074 1.00 0.00 H new ATOM 0 HG LEU A 52 22.115 15.304 -16.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.654 14.853 -14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.615 13.424 -14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.078 14.400 -13.125 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.543 17.123 -14.462 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.003 16.760 -13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.154 17.353 -15.182 1.00 0.00 H new ATOM 799 N THR A 53 27.098 15.818 -14.739 1.00 0.00 N ATOM 800 CA THR A 53 28.461 15.459 -14.370 1.00 0.00 C ATOM 801 C THR A 53 28.680 15.603 -12.868 1.00 0.00 C ATOM 802 O THR A 53 27.851 16.177 -12.164 1.00 0.00 O ATOM 803 CB THR A 53 29.492 16.330 -15.113 1.00 0.00 C ATOM 804 OG1 THR A 53 29.342 17.701 -14.731 1.00 0.00 O ATOM 805 CG2 THR A 53 29.326 16.197 -16.620 1.00 0.00 C ATOM 0 H THR A 53 26.753 16.672 -14.300 1.00 0.00 H new ATOM 0 HA THR A 53 28.602 14.417 -14.657 1.00 0.00 H new ATOM 0 HB THR A 53 30.490 15.985 -14.841 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.390 17.933 -14.712 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.064 16.821 -17.124 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.470 15.157 -16.912 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.324 16.518 -16.905 1.00 0.00 H new ATOM 813 N GLN A 54 29.803 15.078 -12.386 1.00 0.00 N ATOM 814 CA GLN A 54 30.130 15.149 -10.967 1.00 0.00 C ATOM 815 C GLN A 54 30.120 16.593 -10.477 1.00 0.00 C ATOM 816 O GLN A 54 29.951 16.853 -9.286 1.00 0.00 O ATOM 817 CB GLN A 54 31.499 14.519 -10.706 1.00 0.00 C ATOM 818 CG GLN A 54 31.669 13.999 -9.288 1.00 0.00 C ATOM 819 CD GLN A 54 33.023 13.355 -9.060 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.965 14.007 -8.610 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.126 12.068 -9.371 1.00 0.00 N ATOM 0 H GLN A 54 30.500 14.600 -12.957 1.00 0.00 H new ATOM 0 HA GLN A 54 29.371 14.593 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.651 13.697 -11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.274 15.258 -10.909 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.540 14.822 -8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.885 13.272 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.319 11.567 -9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.012 11.581 -9.239 1.00 0.00 H new ATOM 830 N GLU A 55 30.302 17.529 -11.404 1.00 0.00 N ATOM 831 CA GLU A 55 30.314 18.947 -11.065 1.00 0.00 C ATOM 832 C GLU A 55 28.897 19.461 -10.828 1.00 0.00 C ATOM 833 O GLU A 55 28.699 20.491 -10.184 1.00 0.00 O ATOM 834 CB GLU A 55 30.981 19.755 -12.180 1.00 0.00 C ATOM 835 CG GLU A 55 30.008 20.264 -13.230 1.00 0.00 C ATOM 836 CD GLU A 55 29.418 21.614 -12.873 1.00 0.00 C ATOM 837 OE1 GLU A 55 30.193 22.517 -12.490 1.00 0.00 O ATOM 838 OE2 GLU A 55 28.184 21.769 -12.975 1.00 0.00 O ATOM 0 H GLU A 55 30.443 17.331 -12.395 1.00 0.00 H new ATOM 0 HA GLU A 55 30.886 19.070 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.503 20.604 -11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.734 19.135 -12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 55 30.520 20.338 -14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.202 19.541 -13.354 1.00 0.00 H new ATOM 845 N ASP A 56 27.915 18.736 -11.353 1.00 0.00 N ATOM 846 CA ASP A 56 26.516 19.118 -11.199 1.00 0.00 C ATOM 847 C ASP A 56 25.961 18.620 -9.868 1.00 0.00 C ATOM 848 O ASP A 56 24.885 19.036 -9.438 1.00 0.00 O ATOM 849 CB ASP A 56 25.683 18.561 -12.354 1.00 0.00 C ATOM 850 CG ASP A 56 25.962 19.270 -13.665 1.00 0.00 C ATOM 851 OD1 ASP A 56 25.393 20.360 -13.883 1.00 0.00 O ATOM 852 OD2 ASP A 56 26.752 18.736 -14.471 1.00 0.00 O ATOM 0 H ASP A 56 28.062 17.881 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 56 26.458 20.206 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.891 17.497 -12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.624 18.654 -12.112 1.00 0.00 H new ATOM 857 N PHE A 57 26.701 17.726 -9.221 1.00 0.00 N ATOM 858 CA PHE A 57 26.283 17.170 -7.940 1.00 0.00 C ATOM 859 C PHE A 57 26.651 18.108 -6.794 1.00 0.00 C ATOM 860 O PHE A 57 25.817 18.433 -5.949 1.00 0.00 O ATOM 861 CB PHE A 57 26.926 15.800 -7.720 1.00 0.00 C ATOM 862 CG PHE A 57 26.292 14.704 -8.528 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.672 14.485 -9.842 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.317 13.891 -7.972 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.090 13.478 -10.588 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.731 12.881 -8.713 1.00 0.00 C ATOM 867 CZ PHE A 57 25.119 12.674 -10.022 1.00 0.00 C ATOM 0 H PHE A 57 27.594 17.371 -9.563 1.00 0.00 H new ATOM 0 HA PHE A 57 25.199 17.055 -7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.985 15.860 -7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.863 15.544 -6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.432 15.109 -10.289 1.00 0.00 H new ATOM 0 HD2 PHE A 57 25.011 14.048 -6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.394 13.319 -11.612 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.971 12.255 -8.269 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.664 11.885 -10.603 1.00 0.00 H new ATOM 877 N LYS A 58 27.908 18.539 -6.771 1.00 0.00 N ATOM 878 CA LYS A 58 28.390 19.439 -5.730 1.00 0.00 C ATOM 879 C LYS A 58 27.407 20.583 -5.503 1.00 0.00 C ATOM 880 O LYS A 58 27.413 21.221 -4.449 1.00 0.00 O ATOM 881 CB LYS A 58 29.763 20.000 -6.108 1.00 0.00 C ATOM 882 CG LYS A 58 29.947 20.202 -7.602 1.00 0.00 C ATOM 883 CD LYS A 58 31.086 21.164 -7.898 1.00 0.00 C ATOM 884 CE LYS A 58 32.421 20.608 -7.428 1.00 0.00 C ATOM 885 NZ LYS A 58 32.685 19.253 -7.986 1.00 0.00 N ATOM 0 H LYS A 58 28.612 18.279 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 58 28.479 18.870 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.909 20.953 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.536 19.323 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.147 19.242 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.023 20.586 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.129 21.360 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 58 30.895 22.118 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 58 33.221 21.285 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 58 32.432 20.561 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.657 18.966 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.016 18.572 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.567 19.274 -9.019 1.00 0.00 H new ATOM 899 N LYS A 59 26.563 20.838 -6.497 1.00 0.00 N ATOM 900 CA LYS A 59 25.571 21.903 -6.405 1.00 0.00 C ATOM 901 C LYS A 59 24.184 21.389 -6.777 1.00 0.00 C ATOM 902 O LYS A 59 24.032 20.336 -7.396 1.00 0.00 O ATOM 903 CB LYS A 59 25.957 23.068 -7.320 1.00 0.00 C ATOM 904 CG LYS A 59 26.806 22.652 -8.509 1.00 0.00 C ATOM 905 CD LYS A 59 26.918 23.769 -9.532 1.00 0.00 C ATOM 906 CE LYS A 59 27.268 23.230 -10.911 1.00 0.00 C ATOM 907 NZ LYS A 59 27.424 24.322 -11.911 1.00 0.00 N ATOM 0 H LYS A 59 26.546 20.321 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 59 25.545 22.252 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 59 25.049 23.550 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.501 23.811 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.802 22.371 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.370 21.770 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.975 24.314 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.681 24.480 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 59 28.193 22.657 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.488 22.544 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.761 23.923 -12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.507 24.789 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.113 25.017 -11.561 1.00 0.00 H new ATOM 921 N PRO A 60 23.148 22.149 -6.392 1.00 0.00 N ATOM 922 CA PRO A 60 21.755 21.791 -6.677 1.00 0.00 C ATOM 923 C PRO A 60 21.418 21.908 -8.159 1.00 0.00 C ATOM 924 O PRO A 60 22.163 22.493 -8.946 1.00 0.00 O ATOM 925 CB PRO A 60 20.953 22.810 -5.863 1.00 0.00 C ATOM 926 CG PRO A 60 21.864 23.980 -5.720 1.00 0.00 C ATOM 927 CD PRO A 60 23.256 23.416 -5.650 1.00 0.00 C ATOM 0 HA PRO A 60 21.539 20.754 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.030 23.086 -6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.671 22.406 -4.891 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.761 24.660 -6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.629 24.550 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.985 24.087 -6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.572 23.253 -4.620 1.00 0.00 H new ATOM 935 N PRO A 61 20.267 21.341 -8.552 1.00 0.00 N ATOM 936 CA PRO A 61 19.373 20.641 -7.625 1.00 0.00 C ATOM 937 C PRO A 61 19.966 19.327 -7.128 1.00 0.00 C ATOM 938 O PRO A 61 19.706 18.903 -6.001 1.00 0.00 O ATOM 939 CB PRO A 61 18.123 20.379 -8.468 1.00 0.00 C ATOM 940 CG PRO A 61 18.612 20.359 -9.875 1.00 0.00 C ATOM 941 CD PRO A 61 19.752 21.338 -9.931 1.00 0.00 C ATOM 0 HA PRO A 61 19.182 21.224 -6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.655 19.432 -8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.375 21.158 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.941 19.360 -10.159 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.820 20.643 -10.568 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.515 21.026 -10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.416 22.329 -10.237 1.00 0.00 H new ATOM 949 N LEU A 62 20.763 18.685 -7.975 1.00 0.00 N ATOM 950 CA LEU A 62 21.395 17.419 -7.622 1.00 0.00 C ATOM 951 C LEU A 62 22.450 17.620 -6.539 1.00 0.00 C ATOM 952 O LEU A 62 23.568 18.053 -6.821 1.00 0.00 O ATOM 953 CB LEU A 62 22.031 16.781 -8.858 1.00 0.00 C ATOM 954 CG LEU A 62 21.113 16.599 -10.067 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.911 16.676 -11.359 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.367 15.276 -9.976 1.00 0.00 C ATOM 0 H LEU A 62 20.987 19.021 -8.912 1.00 0.00 H new ATOM 0 HA LEU A 62 20.625 16.753 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.881 17.392 -9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.425 15.805 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 62 20.381 17.406 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.241 16.544 -12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.398 17.649 -11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.666 15.890 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.718 15.164 -10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.084 14.455 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.764 15.260 -9.068 1.00 0.00 H new ATOM 968 N TYR A 63 22.089 17.302 -5.301 1.00 0.00 N ATOM 969 CA TYR A 63 23.005 17.448 -4.176 1.00 0.00 C ATOM 970 C TYR A 63 22.668 16.455 -3.068 1.00 0.00 C ATOM 971 O TYR A 63 21.510 16.314 -2.676 1.00 0.00 O ATOM 972 CB TYR A 63 22.952 18.876 -3.630 1.00 0.00 C ATOM 973 CG TYR A 63 23.967 19.146 -2.543 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.330 19.078 -2.805 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.564 19.469 -1.253 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.261 19.324 -1.814 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.487 19.717 -0.256 1.00 0.00 C ATOM 978 CZ TYR A 63 25.835 19.643 -0.542 1.00 0.00 C ATOM 979 OH TYR A 63 26.758 19.888 0.448 1.00 0.00 O ATOM 0 H TYR A 63 21.168 16.941 -5.051 1.00 0.00 H new ATOM 0 HA TYR A 63 24.014 17.240 -4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 63 23.115 19.576 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.953 19.070 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.667 18.829 -3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.510 19.527 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.317 19.267 -2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.156 19.967 0.741 1.00 0.00 H new ATOM 0 HH TYR A 63 26.293 20.099 1.284 1.00 0.00 H new ATOM 989 N ARG A 64 23.691 15.770 -2.565 1.00 0.00 N ATOM 990 CA ARG A 64 23.505 14.789 -1.503 1.00 0.00 C ATOM 991 C ARG A 64 22.280 13.921 -1.774 1.00 0.00 C ATOM 992 O ARG A 64 21.675 13.377 -0.850 1.00 0.00 O ATOM 993 CB ARG A 64 23.357 15.491 -0.152 1.00 0.00 C ATOM 994 CG ARG A 64 24.517 16.413 0.185 1.00 0.00 C ATOM 995 CD ARG A 64 25.759 15.627 0.575 1.00 0.00 C ATOM 996 NE ARG A 64 25.770 15.288 1.995 1.00 0.00 N ATOM 997 CZ ARG A 64 25.965 16.178 2.962 1.00 0.00 C ATOM 998 NH1 ARG A 64 26.165 17.454 2.662 1.00 0.00 N ATOM 999 NH2 ARG A 64 25.960 15.792 4.231 1.00 0.00 N ATOM 0 H ARG A 64 24.656 15.877 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 64 24.385 14.147 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.433 16.069 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.263 14.738 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.741 17.046 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.232 17.074 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.809 14.713 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.647 16.211 0.335 1.00 0.00 H new ATOM 0 HE ARG A 64 25.620 14.314 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.169 17.754 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 64 26.314 18.135 3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 64 25.806 14.811 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.110 16.476 4.973 1.00 0.00 H new ATOM 1013 N VAL A 65 21.919 13.795 -3.047 1.00 0.00 N ATOM 1014 CA VAL A 65 20.768 12.991 -3.440 1.00 0.00 C ATOM 1015 C VAL A 65 20.981 11.521 -3.098 1.00 0.00 C ATOM 1016 O VAL A 65 20.044 10.820 -2.717 1.00 0.00 O ATOM 1017 CB VAL A 65 20.482 13.120 -4.948 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.217 12.361 -5.318 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.372 14.584 -5.346 1.00 0.00 C ATOM 0 H VAL A 65 22.407 14.240 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 65 19.912 13.370 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 65 21.314 12.680 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.031 12.463 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.340 11.307 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.373 12.768 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.170 14.656 -6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.559 15.052 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.308 15.094 -5.119 1.00 0.00 H new ATOM 1029 N SER A 66 22.220 11.061 -3.235 1.00 0.00 N ATOM 1030 CA SER A 66 22.557 9.673 -2.944 1.00 0.00 C ATOM 1031 C SER A 66 23.730 9.591 -1.971 1.00 0.00 C ATOM 1032 O SER A 66 24.589 10.471 -1.942 1.00 0.00 O ATOM 1033 CB SER A 66 22.898 8.926 -4.235 1.00 0.00 C ATOM 1034 OG SER A 66 23.387 7.625 -3.958 1.00 0.00 O ATOM 0 H SER A 66 23.008 11.630 -3.546 1.00 0.00 H new ATOM 0 HA SER A 66 21.689 9.204 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.011 8.858 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.645 9.487 -4.797 1.00 0.00 H new ATOM 0 HG SER A 66 23.596 7.168 -4.799 1.00 0.00 H new ATOM 1040 N SER A 67 23.757 8.526 -1.175 1.00 0.00 N ATOM 1041 CA SER A 67 24.822 8.329 -0.198 1.00 0.00 C ATOM 1042 C SER A 67 26.105 7.865 -0.880 1.00 0.00 C ATOM 1043 O SER A 67 27.134 7.680 -0.230 1.00 0.00 O ATOM 1044 CB SER A 67 24.392 7.307 0.856 1.00 0.00 C ATOM 1045 OG SER A 67 24.066 6.065 0.258 1.00 0.00 O ATOM 0 H SER A 67 23.054 7.787 -1.188 1.00 0.00 H new ATOM 0 HA SER A 67 25.016 9.284 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 67 25.195 7.166 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.531 7.687 1.406 1.00 0.00 H new ATOM 0 HG SER A 67 23.796 5.428 0.952 1.00 0.00 H new ATOM 1051 N ASP A 68 26.036 7.680 -2.194 1.00 0.00 N ATOM 1052 CA ASP A 68 27.192 7.239 -2.966 1.00 0.00 C ATOM 1053 C ASP A 68 27.876 8.422 -3.644 1.00 0.00 C ATOM 1054 O ASP A 68 28.549 8.263 -4.661 1.00 0.00 O ATOM 1055 CB ASP A 68 26.769 6.209 -4.014 1.00 0.00 C ATOM 1056 CG ASP A 68 26.798 4.791 -3.477 1.00 0.00 C ATOM 1057 OD1 ASP A 68 26.131 4.531 -2.453 1.00 0.00 O ATOM 1058 OD2 ASP A 68 27.486 3.942 -4.081 1.00 0.00 O ATOM 0 H ASP A 68 25.192 7.829 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 68 27.902 6.777 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.763 6.442 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.430 6.281 -4.878 1.00 0.00 H new ATOM 1063 N ASN A 69 27.697 9.609 -3.073 1.00 0.00 N ATOM 1064 CA ASN A 69 28.294 10.820 -3.625 1.00 0.00 C ATOM 1065 C ASN A 69 27.841 11.043 -5.065 1.00 0.00 C ATOM 1066 O ASN A 69 28.547 11.662 -5.860 1.00 0.00 O ATOM 1067 CB ASN A 69 29.820 10.733 -3.566 1.00 0.00 C ATOM 1068 CG ASN A 69 30.322 10.290 -2.205 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.557 11.112 -1.320 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.490 8.983 -2.034 1.00 0.00 N ATOM 0 H ASN A 69 27.144 9.758 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 69 27.961 11.666 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.171 10.034 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.246 11.707 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.827 8.625 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 69 30.282 8.338 -2.796 1.00 0.00 H new ATOM 1077 N GLY A 70 26.658 10.534 -5.393 1.00 0.00 N ATOM 1078 CA GLY A 70 26.130 10.688 -6.736 1.00 0.00 C ATOM 1079 C GLY A 70 26.890 9.862 -7.755 1.00 0.00 C ATOM 1080 O GLY A 70 26.974 10.234 -8.925 1.00 0.00 O ATOM 0 H GLY A 70 26.055 10.017 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.080 10.396 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.171 11.739 -7.021 1.00 0.00 H new ATOM 1084 N GLN A 71 27.445 8.740 -7.310 1.00 0.00 N ATOM 1085 CA GLN A 71 28.204 7.861 -8.192 1.00 0.00 C ATOM 1086 C GLN A 71 27.276 6.921 -8.954 1.00 0.00 C ATOM 1087 O GLN A 71 27.361 6.805 -10.177 1.00 0.00 O ATOM 1088 CB GLN A 71 29.221 7.050 -7.387 1.00 0.00 C ATOM 1089 CG GLN A 71 29.769 5.846 -8.136 1.00 0.00 C ATOM 1090 CD GLN A 71 30.721 6.235 -9.250 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.924 6.380 -9.031 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.187 6.405 -10.453 1.00 0.00 N ATOM 0 H GLN A 71 27.384 8.418 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 71 28.734 8.482 -8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.049 7.700 -7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.753 6.710 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.285 5.191 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.940 5.275 -8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.185 6.274 -10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 71 30.779 6.666 -11.241 1.00 0.00 H new ATOM 1101 N ARG A 72 26.390 6.251 -8.224 1.00 0.00 N ATOM 1102 CA ARG A 72 25.448 5.319 -8.831 1.00 0.00 C ATOM 1103 C ARG A 72 24.870 5.893 -10.121 1.00 0.00 C ATOM 1104 O ARG A 72 24.912 5.252 -11.172 1.00 0.00 O ATOM 1105 CB ARG A 72 24.317 4.995 -7.853 1.00 0.00 C ATOM 1106 CG ARG A 72 23.168 4.226 -8.484 1.00 0.00 C ATOM 1107 CD ARG A 72 22.430 3.383 -7.456 1.00 0.00 C ATOM 1108 NE ARG A 72 23.253 2.283 -6.958 1.00 0.00 N ATOM 1109 CZ ARG A 72 22.789 1.314 -6.176 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.516 1.308 -5.806 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.600 0.348 -5.764 1.00 0.00 N ATOM 0 H ARG A 72 26.305 6.337 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 72 25.986 4.402 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.720 4.413 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.934 5.925 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.473 4.925 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.551 3.583 -9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.125 4.014 -6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.520 2.982 -7.902 1.00 0.00 H new ATOM 0 HE ARG A 72 24.237 2.258 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.890 2.049 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.163 0.563 -5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.580 0.349 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.244 -0.396 -5.164 1.00 0.00 H new ATOM 1125 N LEU A 73 24.331 7.104 -10.034 1.00 0.00 N ATOM 1126 CA LEU A 73 23.743 7.764 -11.195 1.00 0.00 C ATOM 1127 C LEU A 73 24.783 7.968 -12.291 1.00 0.00 C ATOM 1128 O LEU A 73 24.639 7.454 -13.401 1.00 0.00 O ATOM 1129 CB LEU A 73 23.142 9.112 -10.789 1.00 0.00 C ATOM 1130 CG LEU A 73 22.462 9.906 -11.905 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.358 9.083 -12.549 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.907 11.216 -11.364 1.00 0.00 C ATOM 0 H LEU A 73 24.289 7.649 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 73 22.953 7.123 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.413 8.939 -9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.935 9.727 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 73 23.206 10.136 -12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.886 9.664 -13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.782 8.172 -12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.613 8.822 -11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.426 11.769 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.176 11.007 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.720 11.812 -10.950 1.00 0.00 H new ATOM 1144 N LEU A 74 25.832 8.718 -11.973 1.00 0.00 N ATOM 1145 CA LEU A 74 26.899 8.988 -12.930 1.00 0.00 C ATOM 1146 C LEU A 74 27.252 7.732 -13.720 1.00 0.00 C ATOM 1147 O LEU A 74 27.471 7.789 -14.930 1.00 0.00 O ATOM 1148 CB LEU A 74 28.139 9.516 -12.207 1.00 0.00 C ATOM 1149 CG LEU A 74 28.101 10.988 -11.797 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.334 11.347 -10.982 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.993 11.881 -13.025 1.00 0.00 C ATOM 0 H LEU A 74 25.967 9.150 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 74 26.544 9.746 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.297 8.914 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.004 9.361 -12.852 1.00 0.00 H new ATOM 0 HG LEU A 74 27.220 11.150 -11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.290 12.399 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.368 10.731 -10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.229 11.169 -11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.967 12.925 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.855 11.716 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.080 11.642 -13.570 1.00 0.00 H new ATOM 1163 N ASP A 75 27.305 6.600 -13.028 1.00 0.00 N ATOM 1164 CA ASP A 75 27.628 5.328 -13.665 1.00 0.00 C ATOM 1165 C ASP A 75 26.505 4.888 -14.599 1.00 0.00 C ATOM 1166 O ASP A 75 26.757 4.391 -15.696 1.00 0.00 O ATOM 1167 CB ASP A 75 27.879 4.253 -12.607 1.00 0.00 C ATOM 1168 CG ASP A 75 28.867 3.201 -13.074 1.00 0.00 C ATOM 1169 OD1 ASP A 75 29.730 3.529 -13.915 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.777 2.050 -12.598 1.00 0.00 O ATOM 0 H ASP A 75 27.128 6.537 -12.025 1.00 0.00 H new ATOM 0 HA ASP A 75 28.534 5.465 -14.255 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.255 4.723 -11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.935 3.772 -12.350 1.00 0.00 H new ATOM 1175 N MET A 76 25.266 5.073 -14.156 1.00 0.00 N ATOM 1176 CA MET A 76 24.105 4.695 -14.953 1.00 0.00 C ATOM 1177 C MET A 76 23.979 5.585 -16.185 1.00 0.00 C ATOM 1178 O MET A 76 23.505 5.145 -17.233 1.00 0.00 O ATOM 1179 CB MET A 76 22.831 4.786 -14.111 1.00 0.00 C ATOM 1180 CG MET A 76 22.689 3.661 -13.099 1.00 0.00 C ATOM 1181 SD MET A 76 22.831 2.029 -13.851 1.00 0.00 S ATOM 1182 CE MET A 76 21.478 2.077 -15.024 1.00 0.00 C ATOM 0 H MET A 76 25.040 5.482 -13.249 1.00 0.00 H new ATOM 0 HA MET A 76 24.241 3.665 -15.283 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.821 5.740 -13.585 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.966 4.778 -14.774 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.454 3.770 -12.330 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.723 3.745 -12.602 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.088 1.070 -15.171 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.686 2.720 -14.640 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.835 2.470 -15.976 1.00 0.00 H new ATOM 1192 N ILE A 77 24.406 6.836 -16.053 1.00 0.00 N ATOM 1193 CA ILE A 77 24.341 7.786 -17.157 1.00 0.00 C ATOM 1194 C ILE A 77 25.530 7.619 -18.097 1.00 0.00 C ATOM 1195 O ILE A 77 25.386 7.700 -19.316 1.00 0.00 O ATOM 1196 CB ILE A 77 24.304 9.239 -16.648 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.118 9.440 -15.702 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.226 10.208 -17.818 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.078 10.813 -15.067 1.00 0.00 C ATOM 0 H ILE A 77 24.801 7.216 -15.193 1.00 0.00 H new ATOM 0 HA ILE A 77 23.419 7.576 -17.700 1.00 0.00 H new ATOM 0 HB ILE A 77 25.223 9.440 -16.097 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.192 9.276 -16.253 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.159 8.686 -14.916 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.201 11.231 -17.442 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.099 10.078 -18.457 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.322 10.011 -18.394 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.212 10.885 -14.409 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.988 10.973 -14.488 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.006 11.572 -15.846 1.00 0.00 H new ATOM 1211 N GLU A 78 26.705 7.383 -17.520 1.00 0.00 N ATOM 1212 CA GLU A 78 27.919 7.202 -18.307 1.00 0.00 C ATOM 1213 C GLU A 78 27.667 6.269 -19.488 1.00 0.00 C ATOM 1214 O GLU A 78 28.159 6.500 -20.594 1.00 0.00 O ATOM 1215 CB GLU A 78 29.042 6.643 -17.432 1.00 0.00 C ATOM 1216 CG GLU A 78 30.430 7.084 -17.867 1.00 0.00 C ATOM 1217 CD GLU A 78 31.033 6.165 -18.912 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.708 5.189 -18.525 1.00 0.00 O ATOM 1219 OE2 GLU A 78 30.829 6.424 -20.116 1.00 0.00 O ATOM 0 H GLU A 78 26.841 7.313 -16.512 1.00 0.00 H new ATOM 0 HA GLU A 78 28.220 8.176 -18.693 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.877 6.955 -16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 78 28.995 5.554 -17.447 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.377 8.097 -18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.086 7.118 -16.997 1.00 0.00 H new ATOM 1226 N THR A 79 26.898 5.212 -19.247 1.00 0.00 N ATOM 1227 CA THR A 79 26.581 4.243 -20.288 1.00 0.00 C ATOM 1228 C THR A 79 25.664 4.850 -21.344 1.00 0.00 C ATOM 1229 O THR A 79 25.684 4.444 -22.506 1.00 0.00 O ATOM 1230 CB THR A 79 25.909 2.987 -19.702 1.00 0.00 C ATOM 1231 OG1 THR A 79 25.999 1.903 -20.633 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.450 3.259 -19.370 1.00 0.00 C ATOM 0 H THR A 79 26.483 5.005 -18.339 1.00 0.00 H new ATOM 0 HA THR A 79 27.526 3.958 -20.751 1.00 0.00 H new ATOM 0 HB THR A 79 26.430 2.719 -18.783 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.571 1.108 -20.252 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.997 2.358 -18.958 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.387 4.064 -18.638 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.919 3.550 -20.276 1.00 0.00 H new ATOM 1240 N LEU A 80 24.860 5.824 -20.932 1.00 0.00 N ATOM 1241 CA LEU A 80 23.934 6.489 -21.843 1.00 0.00 C ATOM 1242 C LEU A 80 24.688 7.338 -22.862 1.00 0.00 C ATOM 1243 O LEU A 80 24.203 7.577 -23.968 1.00 0.00 O ATOM 1244 CB LEU A 80 22.955 7.363 -21.058 1.00 0.00 C ATOM 1245 CG LEU A 80 22.078 6.639 -20.036 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.949 7.542 -19.565 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.522 5.352 -20.628 1.00 0.00 C ATOM 0 H LEU A 80 24.830 6.171 -19.973 1.00 0.00 H new ATOM 0 HA LEU A 80 23.376 5.721 -22.379 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.524 8.133 -20.537 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.304 7.873 -21.769 1.00 0.00 H new ATOM 0 HG LEU A 80 22.694 6.383 -19.174 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.336 7.009 -18.838 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.367 8.436 -19.101 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.334 7.830 -20.417 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.900 4.850 -19.887 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.922 5.586 -21.507 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.345 4.698 -20.914 1.00 0.00 H new ATOM 1259 N LYS A 81 25.879 7.790 -22.482 1.00 0.00 N ATOM 1260 CA LYS A 81 26.702 8.610 -23.362 1.00 0.00 C ATOM 1261 C LYS A 81 27.508 7.740 -24.321 1.00 0.00 C ATOM 1262 O LYS A 81 27.362 7.842 -25.539 1.00 0.00 O ATOM 1263 CB LYS A 81 27.646 9.489 -22.538 1.00 0.00 C ATOM 1264 CG LYS A 81 26.982 10.732 -21.973 1.00 0.00 C ATOM 1265 CD LYS A 81 26.444 10.490 -20.573 1.00 0.00 C ATOM 1266 CE LYS A 81 27.558 10.499 -19.538 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.179 11.846 -19.404 1.00 0.00 N ATOM 0 H LYS A 81 26.295 7.602 -21.570 1.00 0.00 H new ATOM 0 HA LYS A 81 26.040 9.247 -23.948 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.053 8.900 -21.716 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.487 9.789 -23.163 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.701 11.551 -21.951 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.167 11.040 -22.628 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.711 11.258 -20.326 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.925 9.532 -20.542 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.160 10.185 -18.573 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.321 9.773 -19.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.660 11.916 -18.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.870 11.987 -20.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.441 12.576 -19.465 1.00 0.00 H new ATOM 1281 N MET A 82 28.357 6.883 -23.764 1.00 0.00 N ATOM 1282 CA MET A 82 29.184 5.993 -24.571 1.00 0.00 C ATOM 1283 C MET A 82 28.405 5.466 -25.771 1.00 0.00 C ATOM 1284 O MET A 82 28.987 5.144 -26.807 1.00 0.00 O ATOM 1285 CB MET A 82 29.691 4.824 -23.723 1.00 0.00 C ATOM 1286 CG MET A 82 28.674 3.706 -23.561 1.00 0.00 C ATOM 1287 SD MET A 82 29.396 2.204 -22.873 1.00 0.00 S ATOM 1288 CE MET A 82 30.038 2.819 -21.318 1.00 0.00 C ATOM 0 H MET A 82 28.491 6.786 -22.757 1.00 0.00 H new ATOM 0 HA MET A 82 30.038 6.564 -24.937 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.594 4.419 -24.180 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.971 5.195 -22.737 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.866 4.046 -22.913 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.231 3.480 -24.531 1.00 0.00 H new ATOM 0 HE1 MET A 82 31.127 2.830 -21.353 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.670 3.831 -21.147 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.708 2.171 -20.506 1.00 0.00 H new