USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 346 SER OG : rot -98:sc= 0.247 USER MOD Set 1.2: A 347 LYS NZ :NH3+ 151:sc= -0.248 (180deg=-1.68) USER MOD Set 2.1: A 299 LYS NZ :NH3+ -178:sc= 2.12 (180deg=1.13) USER MOD Set 2.2: A 351 ASN : amide:sc= -2.83! K(o=-0.71!,f=-4.2) USER MOD Set 3.1: A 290 CYS SG : rot 27:sc= 0.739 USER MOD Set 3.2: A 362 ASN : amide:sc= 1.35 K(o=3.1,f=0.98) USER MOD Set 3.3: A 363 SER OG : rot 71:sc= 1.02 USER MOD Single : A 287 THR OG1 : rot 37:sc= 0.227 USER MOD Single : A 289 HIS : no HE2:sc= -4.32! C(o=-4.3!,f=-10!) USER MOD Single : A 292 HIS : no HE2:sc= -1.02 K(o=-1,f=-4.3) USER MOD Single : A 293 MET CE :methyl 152:sc= -1.74 (180deg=-3.78!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 ASN : amide:sc= 1.17 K(o=1.2,f=-0.013) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 310 SER OG : rot 180:sc= -0.243 USER MOD Single : A 313 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 318 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-3.3!) USER MOD Single : A 328 THR OG1 : rot -40:sc= 0.332 USER MOD Single : A 337 THR OG1 : rot -73:sc= 1.26 USER MOD Single : A 338 HIS : no HE2:sc= 0.637 K(o=0.64,f=-2!) USER MOD Single : A 345 MET CE :methyl 139:sc= -3.24! (180deg=-7.61!) USER MOD Single : A 352 MET CE :methyl -133:sc= 0 (180deg=-0.0104) USER MOD Single : A 353 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.21) USER MOD Single : A 354 HIS : no HE2:sc= 0.7 K(o=0.7,f=-4.9!) USER MOD Single : A 356 TYR OH : rot -9:sc= 1.27 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot -36:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 287 -4.659 13.380 9.122 1.00 0.00 N ATOM 2 CA THR A 287 -4.459 12.733 7.805 1.00 0.00 C ATOM 3 C THR A 287 -3.571 13.604 6.927 1.00 0.00 C ATOM 4 O THR A 287 -4.055 14.554 6.309 1.00 0.00 O ATOM 5 CB THR A 287 -5.812 12.417 7.156 1.00 0.00 C ATOM 6 OG1 THR A 287 -6.550 11.658 8.084 1.00 0.00 O ATOM 7 CG2 THR A 287 -5.716 11.570 5.889 1.00 0.00 C ATOM 0 HA THR A 287 -3.944 11.781 7.936 1.00 0.00 H new ATOM 0 HB THR A 287 -6.264 13.371 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 287 -6.372 11.986 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 287 -6.716 11.392 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 287 -5.119 12.096 5.144 1.00 0.00 H new ATOM 0 HG23 THR A 287 -5.244 10.616 6.124 1.00 0.00 H new ATOM 15 N GLY A 288 -2.259 13.325 6.906 1.00 0.00 N ATOM 16 CA GLY A 288 -1.242 14.273 6.414 1.00 0.00 C ATOM 17 C GLY A 288 -0.010 13.700 5.717 1.00 0.00 C ATOM 18 O GLY A 288 0.843 14.470 5.275 1.00 0.00 O ATOM 0 H GLY A 288 -1.871 12.438 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -1.730 14.958 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -0.901 14.867 7.262 1.00 0.00 H new ATOM 22 N HIS A 289 0.069 12.380 5.573 1.00 0.00 N ATOM 23 CA HIS A 289 1.001 11.703 4.675 1.00 0.00 C ATOM 24 C HIS A 289 0.213 10.826 3.697 1.00 0.00 C ATOM 25 O HIS A 289 -0.879 10.387 4.061 1.00 0.00 O ATOM 26 CB HIS A 289 1.939 10.805 5.485 1.00 0.00 C ATOM 27 CG HIS A 289 3.211 10.617 4.717 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.184 11.570 4.562 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.536 9.576 3.897 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.102 11.102 3.707 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.738 9.895 3.264 1.00 0.00 N ATOM 0 H HIS A 289 -0.528 11.735 6.090 1.00 0.00 H new ATOM 0 HA HIS A 289 1.580 12.450 4.132 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.147 11.255 6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.467 9.841 5.675 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.205 12.481 5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.966 8.669 3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.003 11.623 3.418 1.00 0.00 H new ATOM 39 N CYS A 290 0.768 10.453 2.538 1.00 0.00 N ATOM 40 CA CYS A 290 0.282 9.278 1.808 1.00 0.00 C ATOM 41 C CYS A 290 1.333 8.538 0.960 1.00 0.00 C ATOM 42 O CYS A 290 2.421 9.058 0.704 1.00 0.00 O ATOM 43 CB CYS A 290 -0.969 9.642 0.992 1.00 0.00 C ATOM 44 SG CYS A 290 -0.629 10.766 -0.386 1.00 0.00 S ATOM 0 H CYS A 290 1.544 10.941 2.091 1.00 0.00 H new ATOM 0 HA CYS A 290 0.020 8.547 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.418 8.728 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.704 10.102 1.653 1.00 0.00 H new ATOM 0 HG CYS A 290 0.604 10.619 -0.772 1.00 0.00 H new ATOM 50 N VAL A 291 1.018 7.300 0.545 1.00 0.00 N ATOM 51 CA VAL A 291 1.962 6.380 -0.118 1.00 0.00 C ATOM 52 C VAL A 291 1.269 5.625 -1.237 1.00 0.00 C ATOM 53 O VAL A 291 0.172 5.104 -1.044 1.00 0.00 O ATOM 54 CB VAL A 291 2.545 5.335 0.852 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.893 4.808 0.357 1.00 0.00 C ATOM 56 CG2 VAL A 291 2.779 5.924 2.229 1.00 0.00 C ATOM 0 H VAL A 291 0.086 6.902 0.662 1.00 0.00 H new ATOM 0 HA VAL A 291 2.770 7.002 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 291 1.812 4.530 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.278 4.073 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.765 4.341 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.598 5.635 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.191 5.159 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.481 6.755 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.834 6.283 2.637 1.00 0.00 H new ATOM 66 N HIS A 292 1.933 5.543 -2.382 1.00 0.00 N ATOM 67 CA HIS A 292 1.405 4.994 -3.622 1.00 0.00 C ATOM 68 C HIS A 292 1.791 3.521 -3.792 1.00 0.00 C ATOM 69 O HIS A 292 2.840 3.074 -3.315 1.00 0.00 O ATOM 70 CB HIS A 292 1.950 5.872 -4.757 1.00 0.00 C ATOM 71 CG HIS A 292 1.457 5.474 -6.110 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.162 5.147 -6.430 1.00 0.00 N ATOM 73 CD2 HIS A 292 2.227 5.282 -7.223 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.160 4.705 -7.694 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.390 4.799 -8.231 1.00 0.00 N ATOM 0 H HIS A 292 2.894 5.871 -2.475 1.00 0.00 H new ATOM 0 HA HIS A 292 0.315 5.008 -3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.672 6.909 -4.569 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.039 5.828 -4.749 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.649 5.226 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.287 5.469 -7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.709 4.325 -8.211 1.00 0.00 H new ATOM 83 N MET A 293 0.913 2.774 -4.468 1.00 0.00 N ATOM 84 CA MET A 293 0.998 1.327 -4.653 1.00 0.00 C ATOM 85 C MET A 293 0.499 0.933 -6.037 1.00 0.00 C ATOM 86 O MET A 293 -0.658 1.196 -6.382 1.00 0.00 O ATOM 87 CB MET A 293 0.157 0.562 -3.616 1.00 0.00 C ATOM 88 CG MET A 293 -0.033 1.286 -2.290 1.00 0.00 C ATOM 89 SD MET A 293 -0.942 0.299 -1.086 1.00 0.00 S ATOM 90 CE MET A 293 0.370 -0.845 -0.613 1.00 0.00 C ATOM 0 H MET A 293 0.092 3.179 -4.918 1.00 0.00 H new ATOM 0 HA MET A 293 2.048 1.063 -4.531 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.823 0.355 -4.045 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.630 -0.401 -3.424 1.00 0.00 H new ATOM 0 HG2 MET A 293 0.943 1.546 -1.879 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.565 2.221 -2.464 1.00 0.00 H new ATOM 0 HE1 MET A 293 0.204 -1.186 0.409 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.366 -1.702 -1.287 1.00 0.00 H new ATOM 0 HE3 MET A 293 1.334 -0.339 -0.675 1.00 0.00 H new ATOM 100 N ARG A 294 1.342 0.236 -6.805 1.00 0.00 N ATOM 101 CA ARG A 294 0.939 -0.375 -8.081 1.00 0.00 C ATOM 102 C ARG A 294 1.493 -1.782 -8.245 1.00 0.00 C ATOM 103 O ARG A 294 2.650 -2.051 -7.924 1.00 0.00 O ATOM 104 CB ARG A 294 1.318 0.529 -9.265 1.00 0.00 C ATOM 105 CG ARG A 294 0.423 1.761 -9.320 1.00 0.00 C ATOM 106 CD ARG A 294 0.748 2.624 -10.551 1.00 0.00 C ATOM 107 NE ARG A 294 -0.352 3.557 -10.867 1.00 0.00 N ATOM 108 CZ ARG A 294 -1.462 3.267 -11.526 1.00 0.00 C ATOM 109 NH1 ARG A 294 -1.675 2.112 -12.081 1.00 0.00 N ATOM 110 NH2 ARG A 294 -2.432 4.121 -11.645 1.00 0.00 N ATOM 0 H ARG A 294 2.320 0.078 -6.563 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.147 -0.471 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.360 0.836 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 294 1.231 -0.030 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.622 1.454 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 294 0.554 2.351 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 294 1.663 3.188 -10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 294 0.936 1.979 -11.409 1.00 0.00 H new ATOM 0 HE ARG A 294 -0.246 4.519 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 294 -0.969 1.379 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 294 -2.549 1.938 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 294 -2.351 5.047 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 294 -3.275 3.867 -12.160 1.00 0.00 H new ATOM 124 N GLY A 295 0.630 -2.686 -8.700 1.00 0.00 N ATOM 125 CA GLY A 295 0.916 -4.114 -8.822 1.00 0.00 C ATOM 126 C GLY A 295 0.144 -4.949 -7.799 1.00 0.00 C ATOM 127 O GLY A 295 0.404 -6.150 -7.701 1.00 0.00 O ATOM 0 H GLY A 295 -0.313 -2.440 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.662 -4.449 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.985 -4.281 -8.692 1.00 0.00 H new ATOM 131 N LEU A 296 -0.766 -4.337 -7.013 1.00 0.00 N ATOM 132 CA LEU A 296 -1.544 -5.082 -6.011 1.00 0.00 C ATOM 133 C LEU A 296 -2.292 -6.263 -6.660 1.00 0.00 C ATOM 134 O LEU A 296 -2.860 -6.097 -7.740 1.00 0.00 O ATOM 135 CB LEU A 296 -2.578 -4.212 -5.283 1.00 0.00 C ATOM 136 CG LEU A 296 -2.178 -2.856 -4.684 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.443 -2.243 -4.086 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.142 -3.018 -3.578 1.00 0.00 C ATOM 0 H LEU A 296 -0.976 -3.340 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.814 -5.438 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.391 -4.026 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -2.988 -4.813 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.741 -2.228 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.205 -1.274 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.190 -2.113 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.838 -2.904 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.882 -2.038 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.554 -3.639 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.248 -3.493 -3.983 1.00 0.00 H new ATOM 150 N PRO A 297 -2.344 -7.438 -6.017 1.00 0.00 N ATOM 151 CA PRO A 297 -3.047 -8.598 -6.575 1.00 0.00 C ATOM 152 C PRO A 297 -4.575 -8.488 -6.396 1.00 0.00 C ATOM 153 O PRO A 297 -5.076 -7.629 -5.673 1.00 0.00 O ATOM 154 CB PRO A 297 -2.464 -9.783 -5.806 1.00 0.00 C ATOM 155 CG PRO A 297 -2.243 -9.165 -4.430 1.00 0.00 C ATOM 156 CD PRO A 297 -1.808 -7.738 -4.694 1.00 0.00 C ATOM 0 HA PRO A 297 -2.907 -8.692 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.151 -10.629 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.536 -10.144 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.156 -9.194 -3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.482 -9.711 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.202 -7.056 -3.941 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.722 -7.643 -4.673 1.00 0.00 H new ATOM 164 N TYR A 298 -5.333 -9.412 -6.987 1.00 0.00 N ATOM 165 CA TYR A 298 -6.806 -9.477 -6.928 1.00 0.00 C ATOM 166 C TYR A 298 -7.419 -9.511 -5.512 1.00 0.00 C ATOM 167 O TYR A 298 -8.559 -9.073 -5.341 1.00 0.00 O ATOM 168 CB TYR A 298 -7.315 -10.672 -7.759 1.00 0.00 C ATOM 169 CG TYR A 298 -6.288 -11.756 -7.998 1.00 0.00 C ATOM 170 CD1 TYR A 298 -5.934 -12.636 -6.958 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.605 -11.788 -9.229 1.00 0.00 C ATOM 172 CE1 TYR A 298 -4.879 -13.548 -7.144 1.00 0.00 C ATOM 173 CE2 TYR A 298 -4.552 -12.704 -9.418 1.00 0.00 C ATOM 174 CZ TYR A 298 -4.184 -13.584 -8.373 1.00 0.00 C ATOM 175 OH TYR A 298 -3.153 -14.458 -8.537 1.00 0.00 O ATOM 0 H TYR A 298 -4.930 -10.167 -7.542 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.146 -8.532 -7.353 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.175 -11.110 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -7.666 -10.304 -8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.470 -12.611 -6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -5.887 -11.114 -10.024 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -4.600 -14.221 -6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -4.026 -12.735 -10.360 1.00 0.00 H new ATOM 0 HH TYR A 298 -2.780 -14.359 -9.438 1.00 0.00 H new ATOM 185 N LYS A 299 -6.691 -9.986 -4.489 1.00 0.00 N ATOM 186 CA LYS A 299 -7.114 -9.903 -3.073 1.00 0.00 C ATOM 187 C LYS A 299 -7.248 -8.464 -2.529 1.00 0.00 C ATOM 188 O LYS A 299 -7.952 -8.280 -1.536 1.00 0.00 O ATOM 189 CB LYS A 299 -6.169 -10.724 -2.168 1.00 0.00 C ATOM 190 CG LYS A 299 -4.714 -10.263 -2.329 1.00 0.00 C ATOM 191 CD LYS A 299 -3.773 -10.585 -1.168 1.00 0.00 C ATOM 192 CE LYS A 299 -2.577 -9.621 -1.134 1.00 0.00 C ATOM 193 NZ LYS A 299 -1.890 -9.625 0.177 1.00 0.00 N ATOM 0 H LYS A 299 -5.787 -10.441 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.117 -10.329 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.474 -10.619 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -6.249 -11.782 -2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.309 -10.716 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.711 -9.184 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -4.319 -10.523 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -3.414 -11.610 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -1.868 -9.898 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -2.920 -8.611 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -1.112 -8.935 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.566 -9.369 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -1.508 -10.574 0.366 1.00 0.00 H new ATOM 207 N ALA A 300 -6.574 -7.481 -3.146 1.00 0.00 N ATOM 208 CA ALA A 300 -6.380 -6.104 -2.682 1.00 0.00 C ATOM 209 C ALA A 300 -7.585 -5.482 -1.937 1.00 0.00 C ATOM 210 O ALA A 300 -8.508 -4.931 -2.541 1.00 0.00 O ATOM 211 CB ALA A 300 -5.946 -5.234 -3.865 1.00 0.00 C ATOM 0 H ALA A 300 -6.120 -7.642 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.597 -6.142 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.800 -4.208 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -5.012 -5.618 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -6.717 -5.256 -4.635 1.00 0.00 H new ATOM 217 N THR A 301 -7.530 -5.527 -0.607 1.00 0.00 N ATOM 218 CA THR A 301 -8.371 -4.745 0.312 1.00 0.00 C ATOM 219 C THR A 301 -7.550 -3.674 0.982 1.00 0.00 C ATOM 220 O THR A 301 -6.333 -3.766 1.031 1.00 0.00 O ATOM 221 CB THR A 301 -9.000 -5.561 1.456 1.00 0.00 C ATOM 222 OG1 THR A 301 -8.971 -6.958 1.250 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.441 -5.132 1.658 1.00 0.00 C ATOM 0 H THR A 301 -6.873 -6.133 -0.115 1.00 0.00 H new ATOM 0 HA THR A 301 -9.167 -4.351 -0.320 1.00 0.00 H new ATOM 0 HB THR A 301 -8.393 -5.355 2.337 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.385 -7.410 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.883 -5.712 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.473 -4.072 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 301 -11.004 -5.304 0.740 1.00 0.00 H new ATOM 231 N GLU A 302 -8.204 -2.678 1.564 1.00 0.00 N ATOM 232 CA GLU A 302 -7.508 -1.644 2.310 1.00 0.00 C ATOM 233 C GLU A 302 -6.704 -2.217 3.470 1.00 0.00 C ATOM 234 O GLU A 302 -5.507 -1.983 3.574 1.00 0.00 O ATOM 235 CB GLU A 302 -8.480 -0.557 2.743 1.00 0.00 C ATOM 236 CG GLU A 302 -9.878 -0.960 3.208 1.00 0.00 C ATOM 237 CD GLU A 302 -9.968 -1.747 4.522 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.892 -1.135 5.614 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.104 -2.992 4.454 1.00 0.00 O ATOM 0 H GLU A 302 -9.217 -2.566 1.533 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.775 -1.181 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -8.011 0.001 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.597 0.133 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.476 -0.055 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.339 -1.558 2.421 1.00 0.00 H new ATOM 246 N ASN A 303 -7.306 -3.062 4.294 1.00 0.00 N ATOM 247 CA ASN A 303 -6.591 -3.654 5.407 1.00 0.00 C ATOM 248 C ASN A 303 -5.525 -4.641 4.944 1.00 0.00 C ATOM 249 O ASN A 303 -4.441 -4.710 5.518 1.00 0.00 O ATOM 250 CB ASN A 303 -7.603 -4.238 6.386 1.00 0.00 C ATOM 251 CG ASN A 303 -8.182 -5.574 5.949 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.667 -6.637 6.265 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.252 -5.562 5.190 1.00 0.00 N ATOM 0 H ASN A 303 -8.281 -3.350 4.211 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.026 -2.887 5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.125 -4.361 7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.418 -3.526 6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.655 -6.440 4.863 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.681 -4.675 4.927 1.00 0.00 H new ATOM 260 N ASP A 304 -5.805 -5.326 3.838 1.00 0.00 N ATOM 261 CA ASP A 304 -4.864 -6.218 3.179 1.00 0.00 C ATOM 262 C ASP A 304 -3.553 -5.497 2.838 1.00 0.00 C ATOM 263 O ASP A 304 -2.468 -5.967 3.187 1.00 0.00 O ATOM 264 CB ASP A 304 -5.518 -6.809 1.936 1.00 0.00 C ATOM 265 CG ASP A 304 -4.582 -7.733 1.160 1.00 0.00 C ATOM 266 OD1 ASP A 304 -3.991 -8.663 1.758 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.439 -7.506 -0.061 1.00 0.00 O ATOM 0 H ASP A 304 -6.709 -5.273 3.369 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.605 -7.028 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.409 -7.364 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.846 -6.000 1.284 1.00 0.00 H new ATOM 272 N ILE A 305 -3.648 -4.309 2.237 1.00 0.00 N ATOM 273 CA ILE A 305 -2.466 -3.580 1.784 1.00 0.00 C ATOM 274 C ILE A 305 -1.674 -2.971 2.932 1.00 0.00 C ATOM 275 O ILE A 305 -0.450 -3.089 2.967 1.00 0.00 O ATOM 276 CB ILE A 305 -2.821 -2.510 0.746 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.903 -1.535 1.201 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.258 -3.242 -0.526 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.956 -0.246 0.420 1.00 0.00 C ATOM 0 H ILE A 305 -4.531 -3.833 2.054 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.824 -4.320 1.306 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.940 -1.890 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.872 -2.029 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.743 -1.300 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.520 -2.513 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.441 -3.868 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.124 -3.866 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.754 0.385 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -3.003 0.275 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.150 -0.465 -0.630 1.00 0.00 H new ATOM 291 N TYR A 306 -2.332 -2.337 3.904 1.00 0.00 N ATOM 292 CA TYR A 306 -1.569 -1.587 4.891 1.00 0.00 C ATOM 293 C TYR A 306 -1.000 -2.483 5.984 1.00 0.00 C ATOM 294 O TYR A 306 0.031 -2.156 6.568 1.00 0.00 O ATOM 295 CB TYR A 306 -2.358 -0.418 5.441 1.00 0.00 C ATOM 296 CG TYR A 306 -3.427 -0.746 6.456 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.050 -1.062 7.774 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.782 -0.584 6.118 1.00 0.00 C ATOM 299 CE1 TYR A 306 -4.040 -1.228 8.762 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.774 -0.720 7.110 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.403 -1.052 8.434 1.00 0.00 C ATOM 302 OH TYR A 306 -6.355 -1.203 9.395 1.00 0.00 O ATOM 0 H TYR A 306 -3.345 -2.327 4.025 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.708 -1.163 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.658 0.282 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.828 0.100 4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -2.006 -1.177 8.027 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.062 -0.356 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.757 -1.490 9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.814 -0.571 6.860 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.241 -1.047 9.006 1.00 0.00 H new ATOM 312 N ASN A 307 -1.645 -3.625 6.227 1.00 0.00 N ATOM 313 CA ASN A 307 -1.106 -4.624 7.150 1.00 0.00 C ATOM 314 C ASN A 307 0.002 -5.479 6.513 1.00 0.00 C ATOM 315 O ASN A 307 0.828 -6.026 7.247 1.00 0.00 O ATOM 316 CB ASN A 307 -2.229 -5.462 7.781 1.00 0.00 C ATOM 317 CG ASN A 307 -2.370 -6.861 7.200 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.001 -7.857 7.806 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.869 -6.977 5.997 1.00 0.00 N ATOM 0 H ASN A 307 -2.536 -3.880 5.800 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.620 -4.087 7.964 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.047 -5.543 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.174 -4.933 7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -2.950 -7.897 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.177 -6.147 5.490 1.00 0.00 H new ATOM 326 N PHE A 308 0.062 -5.572 5.173 1.00 0.00 N ATOM 327 CA PHE A 308 1.263 -6.104 4.530 1.00 0.00 C ATOM 328 C PHE A 308 2.385 -5.083 4.678 1.00 0.00 C ATOM 329 O PHE A 308 3.471 -5.499 5.085 1.00 0.00 O ATOM 330 CB PHE A 308 1.065 -6.500 3.050 1.00 0.00 C ATOM 331 CG PHE A 308 1.895 -5.699 2.054 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.306 -5.778 2.035 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.260 -4.761 1.231 1.00 0.00 C ATOM 334 CE1 PHE A 308 4.057 -4.898 1.248 1.00 0.00 C ATOM 335 CE2 PHE A 308 2.000 -3.883 0.443 1.00 0.00 C ATOM 336 CZ PHE A 308 3.393 -3.938 0.480 1.00 0.00 C ATOM 0 H PHE A 308 -0.685 -5.294 4.536 1.00 0.00 H new ATOM 0 HA PHE A 308 1.519 -7.036 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.308 -7.556 2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 308 0.011 -6.386 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.809 -6.524 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.181 -4.718 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.135 -4.960 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.500 -3.166 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 308 3.968 -3.227 -0.094 1.00 0.00 H new ATOM 346 N PHE A 309 2.118 -3.797 4.342 1.00 0.00 N ATOM 347 CA PHE A 309 3.106 -2.715 4.327 1.00 0.00 C ATOM 348 C PHE A 309 3.955 -2.867 5.591 1.00 0.00 C ATOM 349 O PHE A 309 5.114 -3.232 5.533 1.00 0.00 O ATOM 350 CB PHE A 309 2.429 -1.325 4.326 1.00 0.00 C ATOM 351 CG PHE A 309 2.460 -0.449 3.088 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.707 -0.137 2.524 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.318 0.254 2.651 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.830 0.882 1.566 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.436 1.250 1.664 1.00 0.00 C ATOM 356 CZ PHE A 309 2.688 1.565 1.122 1.00 0.00 C ATOM 0 H PHE A 309 1.185 -3.487 4.069 1.00 0.00 H new ATOM 0 HA PHE A 309 3.710 -2.781 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.381 -1.479 4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.876 -0.750 5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.584 -0.688 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.351 0.027 3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.802 1.139 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.556 1.774 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.774 2.331 0.365 1.00 0.00 H new ATOM 366 N SER A 310 3.346 -2.708 6.754 1.00 0.00 N ATOM 367 CA SER A 310 3.895 -3.125 8.062 1.00 0.00 C ATOM 368 C SER A 310 2.811 -3.134 9.157 1.00 0.00 C ATOM 369 O SER A 310 1.638 -2.930 8.840 1.00 0.00 O ATOM 370 CB SER A 310 5.122 -2.271 8.474 1.00 0.00 C ATOM 371 OG SER A 310 5.553 -1.323 7.516 1.00 0.00 O ATOM 0 H SER A 310 2.427 -2.273 6.831 1.00 0.00 H new ATOM 0 HA SER A 310 4.247 -4.150 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 310 4.883 -1.745 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 310 5.952 -2.942 8.695 1.00 0.00 H new ATOM 0 HG SER A 310 6.327 -0.834 7.865 1.00 0.00 H new ATOM 377 N PRO A 311 3.143 -3.349 10.446 1.00 0.00 N ATOM 378 CA PRO A 311 2.264 -3.089 11.599 1.00 0.00 C ATOM 379 C PRO A 311 1.743 -1.631 11.782 1.00 0.00 C ATOM 380 O PRO A 311 1.580 -1.152 12.908 1.00 0.00 O ATOM 381 CB PRO A 311 3.057 -3.579 12.821 1.00 0.00 C ATOM 382 CG PRO A 311 3.975 -4.653 12.249 1.00 0.00 C ATOM 383 CD PRO A 311 4.335 -4.064 10.889 1.00 0.00 C ATOM 0 HA PRO A 311 1.325 -3.620 11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 311 3.625 -2.770 13.280 1.00 0.00 H new ATOM 0 HB3 PRO A 311 2.399 -3.983 13.590 1.00 0.00 H new ATOM 0 HG2 PRO A 311 4.855 -4.812 12.872 1.00 0.00 H new ATOM 0 HG3 PRO A 311 3.471 -5.615 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.190 -3.392 10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.608 -4.847 10.182 1.00 0.00 H new ATOM 391 N LEU A 312 1.539 -0.894 10.688 1.00 0.00 N ATOM 392 CA LEU A 312 1.227 0.534 10.601 1.00 0.00 C ATOM 393 C LEU A 312 -0.243 0.869 10.903 1.00 0.00 C ATOM 394 O LEU A 312 -1.109 -0.006 10.974 1.00 0.00 O ATOM 395 CB LEU A 312 1.540 1.005 9.175 1.00 0.00 C ATOM 396 CG LEU A 312 2.903 0.619 8.593 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.055 1.352 7.282 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.123 1.002 9.414 1.00 0.00 C ATOM 0 H LEU A 312 1.592 -1.317 9.762 1.00 0.00 H new ATOM 0 HA LEU A 312 1.831 1.038 11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.767 0.614 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.459 2.092 9.153 1.00 0.00 H new ATOM 0 HG LEU A 312 2.888 -0.469 8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.017 1.102 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.253 1.057 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.005 2.427 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.026 0.675 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.150 2.084 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.070 0.522 10.391 1.00 0.00 H new ATOM 410 N ASN A 313 -0.538 2.166 10.990 1.00 0.00 N ATOM 411 CA ASN A 313 -1.863 2.770 11.151 1.00 0.00 C ATOM 412 C ASN A 313 -2.057 3.945 10.152 1.00 0.00 C ATOM 413 O ASN A 313 -1.855 5.116 10.493 1.00 0.00 O ATOM 414 CB ASN A 313 -2.078 3.207 12.613 1.00 0.00 C ATOM 415 CG ASN A 313 -2.634 2.150 13.558 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.238 2.464 14.575 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.484 0.876 13.276 1.00 0.00 N ATOM 0 H ASN A 313 0.195 2.874 10.947 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.624 2.025 10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.124 3.554 13.010 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.755 4.061 12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.868 0.167 13.900 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.983 0.596 12.433 1.00 0.00 H new ATOM 424 N PRO A 314 -2.463 3.654 8.901 1.00 0.00 N ATOM 425 CA PRO A 314 -3.119 4.580 8.001 1.00 0.00 C ATOM 426 C PRO A 314 -4.347 5.129 8.694 1.00 0.00 C ATOM 427 O PRO A 314 -5.307 4.428 9.023 1.00 0.00 O ATOM 428 CB PRO A 314 -3.488 3.849 6.716 1.00 0.00 C ATOM 429 CG PRO A 314 -2.979 2.442 6.917 1.00 0.00 C ATOM 430 CD PRO A 314 -2.669 2.332 8.411 1.00 0.00 C ATOM 0 HA PRO A 314 -2.460 5.409 7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.565 3.861 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.026 4.317 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.726 1.707 6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.089 2.257 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.492 1.851 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.783 1.719 8.575 1.00 0.00 H new ATOM 438 N VAL A 315 -4.277 6.426 8.911 1.00 0.00 N ATOM 439 CA VAL A 315 -5.382 7.251 9.372 1.00 0.00 C ATOM 440 C VAL A 315 -6.433 7.436 8.270 1.00 0.00 C ATOM 441 O VAL A 315 -7.564 7.833 8.563 1.00 0.00 O ATOM 442 CB VAL A 315 -4.797 8.549 9.941 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.870 8.137 11.096 1.00 0.00 C ATOM 444 CG2 VAL A 315 -3.979 9.365 8.932 1.00 0.00 C ATOM 0 H VAL A 315 -3.418 6.957 8.767 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.935 6.767 10.177 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.625 9.189 10.246 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.424 9.027 11.540 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.446 7.604 11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.082 7.487 10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.601 10.267 9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.141 8.767 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.613 9.642 8.090 1.00 0.00 H new ATOM 454 N ARG A 316 -6.097 7.035 7.030 1.00 0.00 N ATOM 455 CA ARG A 316 -7.026 6.750 5.929 1.00 0.00 C ATOM 456 C ARG A 316 -6.446 5.731 4.915 1.00 0.00 C ATOM 457 O ARG A 316 -5.234 5.541 4.853 1.00 0.00 O ATOM 458 CB ARG A 316 -7.352 8.108 5.280 1.00 0.00 C ATOM 459 CG ARG A 316 -8.395 8.018 4.148 1.00 0.00 C ATOM 460 CD ARG A 316 -8.927 9.380 3.690 1.00 0.00 C ATOM 461 NE ARG A 316 -9.991 9.224 2.676 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.848 9.062 1.371 1.00 0.00 C ATOM 463 NH1 ARG A 316 -8.687 8.999 0.785 1.00 0.00 N ATOM 464 NH2 ARG A 316 -10.897 8.959 0.604 1.00 0.00 N ATOM 0 H ARG A 316 -5.124 6.895 6.759 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.933 6.273 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -7.720 8.789 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.434 8.541 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -7.949 7.507 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -9.232 7.406 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.316 9.929 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -8.111 9.972 3.276 1.00 0.00 H new ATOM 0 HE ARG A 316 -10.950 9.244 3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -7.832 9.076 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -8.632 8.873 -0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -11.832 9.003 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -10.783 8.834 -0.402 1.00 0.00 H new ATOM 478 N VAL A 317 -7.277 5.115 4.067 1.00 0.00 N ATOM 479 CA VAL A 317 -6.856 4.339 2.872 1.00 0.00 C ATOM 480 C VAL A 317 -7.782 4.658 1.687 1.00 0.00 C ATOM 481 O VAL A 317 -8.972 4.917 1.890 1.00 0.00 O ATOM 482 CB VAL A 317 -6.883 2.805 3.112 1.00 0.00 C ATOM 483 CG1 VAL A 317 -6.050 2.050 2.062 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.364 2.323 4.468 1.00 0.00 C ATOM 0 H VAL A 317 -8.290 5.137 4.187 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.828 4.633 2.658 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.950 2.589 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.094 0.980 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.451 2.249 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.014 2.386 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.432 1.236 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.324 2.627 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -6.965 2.762 5.264 1.00 0.00 H new ATOM 494 N HIS A 318 -7.276 4.573 0.453 1.00 0.00 N ATOM 495 CA HIS A 318 -8.080 4.558 -0.778 1.00 0.00 C ATOM 496 C HIS A 318 -7.596 3.449 -1.720 1.00 0.00 C ATOM 497 O HIS A 318 -6.575 3.539 -2.403 1.00 0.00 O ATOM 498 CB HIS A 318 -8.209 5.966 -1.385 1.00 0.00 C ATOM 499 CG HIS A 318 -7.564 6.270 -2.712 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.181 6.556 -3.911 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.230 6.468 -2.904 1.00 0.00 C ATOM 502 CE1 HIS A 318 -7.235 6.896 -4.803 1.00 0.00 C ATOM 503 NE2 HIS A 318 -6.020 6.856 -4.233 1.00 0.00 N ATOM 0 H HIS A 318 -6.273 4.511 0.276 1.00 0.00 H new ATOM 0 HA HIS A 318 -9.112 4.290 -0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -9.273 6.182 -1.483 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -7.807 6.672 -0.658 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -9.184 6.516 -4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.461 6.346 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.425 7.163 -5.832 1.00 0.00 H new ATOM 511 N ILE A 319 -8.325 2.337 -1.675 1.00 0.00 N ATOM 512 CA ILE A 319 -7.971 1.020 -2.224 1.00 0.00 C ATOM 513 C ILE A 319 -8.298 0.871 -3.723 1.00 0.00 C ATOM 514 O ILE A 319 -8.884 -0.084 -4.231 1.00 0.00 O ATOM 515 CB ILE A 319 -8.625 -0.025 -1.313 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.163 -1.444 -1.626 1.00 0.00 C ATOM 517 CG2 ILE A 319 -10.165 0.039 -1.305 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.651 -1.674 -1.697 1.00 0.00 C ATOM 0 H ILE A 319 -9.240 2.326 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.891 0.876 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 319 -8.285 0.237 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.574 -2.111 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.598 -1.741 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.558 -0.729 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.487 1.020 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.541 -0.129 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.453 -2.721 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.223 -1.045 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.199 -1.420 -0.738 1.00 0.00 H new ATOM 530 N GLU A 320 -7.964 1.931 -4.422 1.00 0.00 N ATOM 531 CA GLU A 320 -8.363 2.217 -5.797 1.00 0.00 C ATOM 532 C GLU A 320 -7.747 1.243 -6.817 1.00 0.00 C ATOM 533 O GLU A 320 -6.568 0.887 -6.744 1.00 0.00 O ATOM 534 CB GLU A 320 -8.029 3.682 -6.118 1.00 0.00 C ATOM 535 CG GLU A 320 -9.173 4.411 -6.839 1.00 0.00 C ATOM 536 CD GLU A 320 -10.400 4.630 -5.923 1.00 0.00 C ATOM 537 OE1 GLU A 320 -10.469 5.673 -5.229 1.00 0.00 O ATOM 538 OE2 GLU A 320 -11.306 3.763 -5.901 1.00 0.00 O ATOM 0 H GLU A 320 -7.372 2.664 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.439 2.066 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -7.796 4.208 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -7.134 3.718 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -8.816 5.375 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -9.474 3.834 -7.714 1.00 0.00 H new ATOM 545 N ILE A 321 -8.575 0.793 -7.763 1.00 0.00 N ATOM 546 CA ILE A 321 -8.295 -0.306 -8.700 1.00 0.00 C ATOM 547 C ILE A 321 -9.194 -0.217 -9.949 1.00 0.00 C ATOM 548 O ILE A 321 -10.082 0.633 -10.030 1.00 0.00 O ATOM 549 CB ILE A 321 -8.421 -1.660 -7.927 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.023 -2.155 -7.489 1.00 0.00 C ATOM 551 CG2 ILE A 321 -9.182 -2.787 -8.648 1.00 0.00 C ATOM 552 CD1 ILE A 321 -6.847 -3.670 -7.291 1.00 0.00 C ATOM 0 H ILE A 321 -9.499 1.200 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 321 -7.277 -0.233 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 321 -9.044 -1.423 -7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -6.299 -1.825 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -6.767 -1.659 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -9.204 -3.674 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -10.202 -2.463 -8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -8.680 -3.023 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -5.822 -3.880 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -7.535 -4.019 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -7.059 -4.186 -8.227 1.00 0.00 H new ATOM 564 N GLY A 322 -8.954 -1.139 -10.889 1.00 0.00 N ATOM 565 CA GLY A 322 -9.757 -1.500 -12.053 1.00 0.00 C ATOM 566 C GLY A 322 -11.288 -1.307 -11.940 1.00 0.00 C ATOM 567 O GLY A 322 -11.785 -0.211 -12.223 1.00 0.00 O ATOM 0 H GLY A 322 -8.106 -1.705 -10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -9.404 -0.915 -12.902 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -9.564 -2.547 -12.285 1.00 0.00 H new ATOM 571 N PRO A 323 -12.054 -2.359 -11.573 1.00 0.00 N ATOM 572 CA PRO A 323 -13.514 -2.294 -11.461 1.00 0.00 C ATOM 573 C PRO A 323 -14.014 -1.866 -10.065 1.00 0.00 C ATOM 574 O PRO A 323 -14.831 -0.950 -9.955 1.00 0.00 O ATOM 575 CB PRO A 323 -13.982 -3.715 -11.811 1.00 0.00 C ATOM 576 CG PRO A 323 -12.837 -4.616 -11.340 1.00 0.00 C ATOM 577 CD PRO A 323 -11.601 -3.745 -11.538 1.00 0.00 C ATOM 0 HA PRO A 323 -13.920 -1.530 -12.124 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -14.916 -3.962 -11.306 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -14.159 -3.823 -12.881 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.959 -4.910 -10.298 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -12.780 -5.534 -11.925 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -10.889 -3.897 -10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -11.090 -4.007 -12.464 1.00 0.00 H new ATOM 585 N ASP A 324 -13.557 -2.540 -8.999 1.00 0.00 N ATOM 586 CA ASP A 324 -14.173 -2.506 -7.654 1.00 0.00 C ATOM 587 C ASP A 324 -13.214 -2.947 -6.514 1.00 0.00 C ATOM 588 O ASP A 324 -13.626 -3.050 -5.359 1.00 0.00 O ATOM 589 CB ASP A 324 -15.426 -3.414 -7.717 1.00 0.00 C ATOM 590 CG ASP A 324 -16.312 -3.402 -6.456 1.00 0.00 C ATOM 591 OD1 ASP A 324 -16.766 -2.309 -6.038 1.00 0.00 O ATOM 592 OD2 ASP A 324 -16.603 -4.498 -5.915 1.00 0.00 O ATOM 0 H ASP A 324 -12.732 -3.138 -9.044 1.00 0.00 H new ATOM 0 HA ASP A 324 -14.432 -1.477 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -16.032 -3.110 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -15.103 -4.438 -7.905 1.00 0.00 H new ATOM 597 N GLY A 325 -11.940 -3.246 -6.823 1.00 0.00 N ATOM 598 CA GLY A 325 -10.953 -3.807 -5.874 1.00 0.00 C ATOM 599 C GLY A 325 -10.462 -5.224 -6.165 1.00 0.00 C ATOM 600 O GLY A 325 -10.294 -5.970 -5.201 1.00 0.00 O ATOM 0 H GLY A 325 -11.557 -3.103 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -10.088 -3.144 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -11.393 -3.796 -4.877 1.00 0.00 H new ATOM 604 N ARG A 326 -10.371 -5.674 -7.437 1.00 0.00 N ATOM 605 CA ARG A 326 -10.224 -7.116 -7.730 1.00 0.00 C ATOM 606 C ARG A 326 -9.140 -7.469 -8.776 1.00 0.00 C ATOM 607 O ARG A 326 -9.230 -8.527 -9.394 1.00 0.00 O ATOM 608 CB ARG A 326 -11.580 -7.802 -8.062 1.00 0.00 C ATOM 609 CG ARG A 326 -12.626 -7.821 -6.930 1.00 0.00 C ATOM 610 CD ARG A 326 -13.439 -6.528 -6.961 1.00 0.00 C ATOM 611 NE ARG A 326 -14.381 -6.340 -5.845 1.00 0.00 N ATOM 612 CZ ARG A 326 -14.131 -6.113 -4.569 1.00 0.00 C ATOM 613 NH1 ARG A 326 -12.962 -6.274 -4.011 1.00 0.00 N ATOM 614 NH2 ARG A 326 -15.105 -5.682 -3.825 1.00 0.00 N ATOM 0 H ARG A 326 -10.396 -5.073 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 326 -9.857 -7.531 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -12.017 -7.299 -8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -11.380 -8.831 -8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -13.286 -8.680 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -12.130 -7.928 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -12.747 -5.686 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -14.000 -6.495 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 326 -15.369 -6.393 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -12.170 -6.594 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -12.840 -6.079 -3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -16.028 -5.529 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -14.947 -5.496 -2.835 1.00 0.00 H new ATOM 628 N VAL A 327 -8.155 -6.593 -9.049 1.00 0.00 N ATOM 629 CA VAL A 327 -7.279 -6.704 -10.252 1.00 0.00 C ATOM 630 C VAL A 327 -5.774 -6.508 -9.990 1.00 0.00 C ATOM 631 O VAL A 327 -5.111 -7.445 -9.551 1.00 0.00 O ATOM 632 CB VAL A 327 -7.847 -5.871 -11.427 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.056 -6.012 -12.731 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.258 -6.357 -11.746 1.00 0.00 C ATOM 0 H VAL A 327 -7.938 -5.793 -8.455 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.312 -7.749 -10.559 1.00 0.00 H new ATOM 0 HB VAL A 327 -7.802 -4.833 -11.097 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -7.517 -5.398 -13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.029 -5.683 -12.571 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.058 -7.055 -13.047 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -9.665 -5.775 -12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.226 -7.410 -12.025 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -9.892 -6.233 -10.868 1.00 0.00 H new ATOM 644 N THR A 328 -5.232 -5.331 -10.315 1.00 0.00 N ATOM 645 CA THR A 328 -3.783 -5.089 -10.548 1.00 0.00 C ATOM 646 C THR A 328 -3.206 -3.935 -9.722 1.00 0.00 C ATOM 647 O THR A 328 -1.999 -3.693 -9.747 1.00 0.00 O ATOM 648 CB THR A 328 -3.493 -4.864 -12.047 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.113 -4.934 -12.337 1.00 0.00 O ATOM 650 CG2 THR A 328 -4.030 -3.523 -12.570 1.00 0.00 C ATOM 0 H THR A 328 -5.795 -4.488 -10.430 1.00 0.00 H new ATOM 0 HA THR A 328 -3.279 -5.994 -10.209 1.00 0.00 H new ATOM 0 HB THR A 328 -4.018 -5.673 -12.555 1.00 0.00 H new ATOM 0 HG1 THR A 328 -1.606 -4.495 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 328 -3.794 -3.425 -13.630 1.00 0.00 H new ATOM 0 HG22 THR A 328 -5.111 -3.486 -12.434 1.00 0.00 H new ATOM 0 HG23 THR A 328 -3.567 -2.705 -12.018 1.00 0.00 H new ATOM 658 N GLY A 329 -4.056 -3.230 -8.973 1.00 0.00 N ATOM 659 CA GLY A 329 -3.630 -2.308 -7.919 1.00 0.00 C ATOM 660 C GLY A 329 -3.209 -0.928 -8.378 1.00 0.00 C ATOM 661 O GLY A 329 -2.247 -0.800 -9.132 1.00 0.00 O ATOM 0 H GLY A 329 -5.069 -3.284 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -4.447 -2.199 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -2.797 -2.761 -7.382 1.00 0.00 H new ATOM 665 N GLU A 330 -3.890 0.107 -7.882 1.00 0.00 N ATOM 666 CA GLU A 330 -3.635 1.490 -8.291 1.00 0.00 C ATOM 667 C GLU A 330 -3.875 2.514 -7.150 1.00 0.00 C ATOM 668 O GLU A 330 -4.435 3.594 -7.363 1.00 0.00 O ATOM 669 CB GLU A 330 -4.508 1.841 -9.518 1.00 0.00 C ATOM 670 CG GLU A 330 -4.521 0.823 -10.666 1.00 0.00 C ATOM 671 CD GLU A 330 -5.138 1.434 -11.934 1.00 0.00 C ATOM 672 OE1 GLU A 330 -4.426 2.219 -12.614 1.00 0.00 O ATOM 673 OE2 GLU A 330 -6.308 1.127 -12.263 1.00 0.00 O ATOM 0 H GLU A 330 -4.631 0.011 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.579 1.558 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -5.534 1.983 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -4.169 2.798 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -3.504 0.492 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -5.089 -0.059 -10.369 1.00 0.00 H new ATOM 680 N ALA A 331 -3.520 2.156 -5.914 1.00 0.00 N ATOM 681 CA ALA A 331 -4.081 2.709 -4.685 1.00 0.00 C ATOM 682 C ALA A 331 -3.116 3.657 -3.967 1.00 0.00 C ATOM 683 O ALA A 331 -1.911 3.668 -4.241 1.00 0.00 O ATOM 684 CB ALA A 331 -4.433 1.495 -3.815 1.00 0.00 C ATOM 0 H ALA A 331 -2.808 1.447 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.955 3.323 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -4.861 1.835 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.157 0.870 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.531 0.916 -3.616 1.00 0.00 H new ATOM 690 N ASP A 332 -3.647 4.410 -2.999 1.00 0.00 N ATOM 691 CA ASP A 332 -2.841 5.212 -2.085 1.00 0.00 C ATOM 692 C ASP A 332 -3.382 5.120 -0.654 1.00 0.00 C ATOM 693 O ASP A 332 -4.556 4.830 -0.409 1.00 0.00 O ATOM 694 CB ASP A 332 -2.737 6.678 -2.548 1.00 0.00 C ATOM 695 CG ASP A 332 -1.556 6.983 -3.479 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.617 6.648 -4.687 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.589 7.626 -3.008 1.00 0.00 O ATOM 0 H ASP A 332 -4.651 4.478 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.832 4.801 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.661 6.948 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.660 7.316 -1.668 1.00 0.00 H new ATOM 702 N VAL A 333 -2.495 5.337 0.311 1.00 0.00 N ATOM 703 CA VAL A 333 -2.736 5.035 1.727 1.00 0.00 C ATOM 704 C VAL A 333 -2.114 6.104 2.581 1.00 0.00 C ATOM 705 O VAL A 333 -1.053 6.614 2.251 1.00 0.00 O ATOM 706 CB VAL A 333 -2.216 3.631 2.113 1.00 0.00 C ATOM 707 CG1 VAL A 333 -1.979 2.698 0.929 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.963 3.552 2.972 1.00 0.00 C ATOM 0 H VAL A 333 -1.572 5.734 0.134 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.812 5.024 1.900 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.062 3.309 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.615 1.736 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.914 2.552 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.238 3.138 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.718 2.507 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.134 4.030 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.139 4.062 3.919 1.00 0.00 H new ATOM 718 N GLU A 334 -2.781 6.465 3.663 1.00 0.00 N ATOM 719 CA GLU A 334 -2.674 7.802 4.226 1.00 0.00 C ATOM 720 C GLU A 334 -2.371 7.725 5.712 1.00 0.00 C ATOM 721 O GLU A 334 -3.191 7.259 6.497 1.00 0.00 O ATOM 722 CB GLU A 334 -3.994 8.524 3.977 1.00 0.00 C ATOM 723 CG GLU A 334 -3.964 9.459 2.773 1.00 0.00 C ATOM 724 CD GLU A 334 -5.372 9.874 2.316 1.00 0.00 C ATOM 725 OE1 GLU A 334 -6.135 9.004 1.836 1.00 0.00 O ATOM 726 OE2 GLU A 334 -5.719 11.076 2.405 1.00 0.00 O ATOM 0 H GLU A 334 -3.409 5.845 4.175 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.858 8.349 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.781 7.784 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.257 9.098 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.389 10.351 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.448 8.968 1.948 1.00 0.00 H new ATOM 733 N PHE A 335 -1.177 8.160 6.099 1.00 0.00 N ATOM 734 CA PHE A 335 -0.504 7.671 7.300 1.00 0.00 C ATOM 735 C PHE A 335 -0.172 8.767 8.325 1.00 0.00 C ATOM 736 O PHE A 335 -0.122 9.954 7.997 1.00 0.00 O ATOM 737 CB PHE A 335 0.829 7.023 6.874 1.00 0.00 C ATOM 738 CG PHE A 335 0.802 5.568 6.455 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.224 4.585 7.272 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.489 5.172 5.301 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.235 3.243 6.870 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.480 3.831 4.879 1.00 0.00 C ATOM 743 CZ PHE A 335 0.794 2.875 5.640 1.00 0.00 C ATOM 0 H PHE A 335 -0.645 8.864 5.588 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.192 6.974 7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.234 7.603 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.529 7.120 7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.230 4.863 8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.034 5.907 4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.191 2.487 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.997 3.540 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.697 1.861 5.280 1.00 0.00 H new ATOM 753 N ALA A 336 0.212 8.339 9.533 1.00 0.00 N ATOM 754 CA ALA A 336 0.923 9.125 10.527 1.00 0.00 C ATOM 755 C ALA A 336 2.426 9.274 10.220 1.00 0.00 C ATOM 756 O ALA A 336 3.307 8.895 10.998 1.00 0.00 O ATOM 757 CB ALA A 336 0.759 8.486 11.892 1.00 0.00 C ATOM 0 H ALA A 336 0.023 7.389 9.851 1.00 0.00 H new ATOM 0 HA ALA A 336 0.487 10.124 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.293 9.076 12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.299 8.447 12.151 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.165 7.475 11.872 1.00 0.00 H new ATOM 763 N THR A 337 2.734 9.801 9.048 1.00 0.00 N ATOM 764 CA THR A 337 3.826 10.718 8.728 1.00 0.00 C ATOM 765 C THR A 337 4.690 10.147 7.623 1.00 0.00 C ATOM 766 O THR A 337 4.501 8.999 7.211 1.00 0.00 O ATOM 767 CB THR A 337 4.655 11.199 9.935 1.00 0.00 C ATOM 768 OG1 THR A 337 5.433 10.215 10.551 1.00 0.00 O ATOM 769 CG2 THR A 337 3.848 12.017 10.939 1.00 0.00 C ATOM 0 H THR A 337 2.180 9.582 8.220 1.00 0.00 H new ATOM 0 HA THR A 337 3.350 11.630 8.369 1.00 0.00 H new ATOM 0 HB THR A 337 5.379 11.880 9.487 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.853 9.610 11.059 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.494 12.323 11.762 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.444 12.902 10.447 1.00 0.00 H new ATOM 0 HG23 THR A 337 3.028 11.412 11.326 1.00 0.00 H new ATOM 777 N HIS A 338 5.676 10.932 7.177 1.00 0.00 N ATOM 778 CA HIS A 338 6.822 10.389 6.458 1.00 0.00 C ATOM 779 C HIS A 338 7.314 9.137 7.158 1.00 0.00 C ATOM 780 O HIS A 338 7.497 8.119 6.536 1.00 0.00 O ATOM 781 CB HIS A 338 7.956 11.430 6.416 1.00 0.00 C ATOM 782 CG HIS A 338 9.217 10.890 5.799 1.00 0.00 C ATOM 783 ND1 HIS A 338 10.454 10.693 6.374 1.00 0.00 N ATOM 784 CD2 HIS A 338 9.280 10.382 4.543 1.00 0.00 C ATOM 785 CE1 HIS A 338 11.247 10.110 5.457 1.00 0.00 C ATOM 786 NE2 HIS A 338 10.574 9.903 4.311 1.00 0.00 N ATOM 0 H HIS A 338 5.699 11.944 7.303 1.00 0.00 H new ATOM 0 HA HIS A 338 6.520 10.144 5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.624 12.301 5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.169 11.770 7.429 1.00 0.00 H new ATOM 0 HD1 HIS A 338 10.721 10.945 7.326 1.00 0.00 H new ATOM 0 HD2 HIS A 338 8.464 10.352 3.836 1.00 0.00 H new ATOM 0 HE1 HIS A 338 12.281 9.845 5.619 1.00 0.00 H new ATOM 794 N GLU A 339 7.444 9.189 8.469 1.00 0.00 N ATOM 795 CA GLU A 339 8.058 8.167 9.283 1.00 0.00 C ATOM 796 C GLU A 339 7.179 6.907 9.457 1.00 0.00 C ATOM 797 O GLU A 339 7.718 5.800 9.499 1.00 0.00 O ATOM 798 CB GLU A 339 8.498 8.800 10.604 1.00 0.00 C ATOM 799 CG GLU A 339 9.504 9.941 10.368 1.00 0.00 C ATOM 800 CD GLU A 339 10.892 9.498 9.867 1.00 0.00 C ATOM 801 OE1 GLU A 339 11.443 8.480 10.351 1.00 0.00 O ATOM 802 OE2 GLU A 339 11.448 10.200 8.986 1.00 0.00 O ATOM 0 H GLU A 339 7.109 9.981 9.017 1.00 0.00 H new ATOM 0 HA GLU A 339 8.939 7.784 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.626 9.184 11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.949 8.040 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 339 9.078 10.635 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.630 10.491 11.300 1.00 0.00 H new ATOM 809 N GLU A 340 5.840 7.013 9.457 1.00 0.00 N ATOM 810 CA GLU A 340 4.970 5.842 9.282 1.00 0.00 C ATOM 811 C GLU A 340 5.122 5.201 7.892 1.00 0.00 C ATOM 812 O GLU A 340 5.298 3.992 7.746 1.00 0.00 O ATOM 813 CB GLU A 340 3.537 6.277 9.559 1.00 0.00 C ATOM 814 CG GLU A 340 2.432 5.233 9.468 1.00 0.00 C ATOM 815 CD GLU A 340 2.371 4.375 10.749 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.410 3.864 11.226 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.263 4.236 11.310 1.00 0.00 O ATOM 0 H GLU A 340 5.340 7.894 9.576 1.00 0.00 H new ATOM 0 HA GLU A 340 5.262 5.063 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.508 6.705 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.293 7.080 8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.473 5.727 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.605 4.591 8.604 1.00 0.00 H new ATOM 824 N ALA A 341 5.112 6.035 6.858 1.00 0.00 N ATOM 825 CA ALA A 341 5.157 5.643 5.456 1.00 0.00 C ATOM 826 C ALA A 341 6.527 5.163 4.946 1.00 0.00 C ATOM 827 O ALA A 341 6.627 4.352 4.028 1.00 0.00 O ATOM 828 CB ALA A 341 4.767 6.901 4.720 1.00 0.00 C ATOM 0 H ALA A 341 5.070 7.047 6.981 1.00 0.00 H new ATOM 0 HA ALA A 341 4.504 4.784 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.770 6.711 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.769 7.210 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.480 7.693 4.950 1.00 0.00 H new ATOM 834 N VAL A 342 7.599 5.664 5.541 1.00 0.00 N ATOM 835 CA VAL A 342 8.990 5.316 5.253 1.00 0.00 C ATOM 836 C VAL A 342 9.345 4.007 5.942 1.00 0.00 C ATOM 837 O VAL A 342 10.121 3.206 5.426 1.00 0.00 O ATOM 838 CB VAL A 342 9.934 6.437 5.711 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.273 6.410 7.183 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.257 6.395 4.983 1.00 0.00 C ATOM 0 H VAL A 342 7.522 6.363 6.279 1.00 0.00 H new ATOM 0 HA VAL A 342 9.107 5.194 4.176 1.00 0.00 H new ATOM 0 HB VAL A 342 9.368 7.341 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.944 7.237 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.359 6.507 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.761 5.466 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.894 7.205 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.746 5.440 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.087 6.510 3.912 1.00 0.00 H new ATOM 850 N ALA A 343 8.703 3.738 7.079 1.00 0.00 N ATOM 851 CA ALA A 343 8.742 2.399 7.643 1.00 0.00 C ATOM 852 C ALA A 343 7.940 1.412 6.774 1.00 0.00 C ATOM 853 O ALA A 343 8.266 0.228 6.716 1.00 0.00 O ATOM 854 CB ALA A 343 8.242 2.450 9.079 1.00 0.00 C ATOM 0 H ALA A 343 8.162 4.417 7.614 1.00 0.00 H new ATOM 0 HA ALA A 343 9.768 2.031 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.268 1.449 9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.880 3.113 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.219 2.825 9.095 1.00 0.00 H new ATOM 860 N ALA A 344 6.961 1.908 6.010 1.00 0.00 N ATOM 861 CA ALA A 344 6.277 1.168 4.954 1.00 0.00 C ATOM 862 C ALA A 344 7.137 0.959 3.682 1.00 0.00 C ATOM 863 O ALA A 344 6.968 -0.033 2.980 1.00 0.00 O ATOM 864 CB ALA A 344 4.975 1.900 4.628 1.00 0.00 C ATOM 0 H ALA A 344 6.616 2.862 6.115 1.00 0.00 H new ATOM 0 HA ALA A 344 6.074 0.162 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.445 1.365 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.350 1.945 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.201 2.912 4.291 1.00 0.00 H new ATOM 870 N MET A 345 8.105 1.835 3.389 1.00 0.00 N ATOM 871 CA MET A 345 9.056 1.669 2.262 1.00 0.00 C ATOM 872 C MET A 345 9.958 0.444 2.410 1.00 0.00 C ATOM 873 O MET A 345 10.233 -0.279 1.455 1.00 0.00 O ATOM 874 CB MET A 345 9.973 2.901 2.128 1.00 0.00 C ATOM 875 CG MET A 345 9.378 4.196 1.563 1.00 0.00 C ATOM 876 SD MET A 345 8.737 4.111 -0.124 1.00 0.00 S ATOM 877 CE MET A 345 7.182 3.265 0.237 1.00 0.00 C ATOM 0 H MET A 345 8.259 2.688 3.926 1.00 0.00 H new ATOM 0 HA MET A 345 8.431 1.543 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.375 3.124 3.116 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.816 2.620 1.497 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.570 4.517 2.221 1.00 0.00 H new ATOM 0 HG3 MET A 345 10.145 4.970 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.382 3.705 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.278 2.207 -0.009 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.947 3.372 1.296 1.00 0.00 H new ATOM 887 N SER A 346 10.403 0.221 3.641 1.00 0.00 N ATOM 888 CA SER A 346 11.632 -0.482 4.037 1.00 0.00 C ATOM 889 C SER A 346 11.735 -2.004 3.749 1.00 0.00 C ATOM 890 O SER A 346 12.673 -2.669 4.193 1.00 0.00 O ATOM 891 CB SER A 346 11.794 -0.132 5.516 1.00 0.00 C ATOM 892 OG SER A 346 11.032 -1.005 6.332 1.00 0.00 O ATOM 0 H SER A 346 9.880 0.548 4.453 1.00 0.00 H new ATOM 0 HA SER A 346 12.452 -0.144 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.846 -0.194 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.479 0.898 5.686 1.00 0.00 H new ATOM 0 HG SER A 346 10.187 -0.571 6.575 1.00 0.00 H new ATOM 898 N LYS A 347 10.769 -2.553 2.996 1.00 0.00 N ATOM 899 CA LYS A 347 10.609 -3.973 2.603 1.00 0.00 C ATOM 900 C LYS A 347 10.337 -4.215 1.117 1.00 0.00 C ATOM 901 O LYS A 347 10.579 -5.322 0.666 1.00 0.00 O ATOM 902 CB LYS A 347 9.530 -4.691 3.445 1.00 0.00 C ATOM 903 CG LYS A 347 8.093 -4.440 2.953 1.00 0.00 C ATOM 904 CD LYS A 347 7.668 -2.987 3.004 1.00 0.00 C ATOM 905 CE LYS A 347 7.455 -2.558 4.450 1.00 0.00 C ATOM 906 NZ LYS A 347 8.625 -1.990 5.151 1.00 0.00 N ATOM 0 H LYS A 347 10.019 -1.977 2.614 1.00 0.00 H new ATOM 0 HA LYS A 347 11.590 -4.401 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.727 -5.763 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.612 -4.363 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.004 -4.798 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.405 -5.030 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.429 -2.360 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.748 -2.848 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.653 -1.820 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.107 -3.423 5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.303 -1.317 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.163 -2.756 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 9.234 -1.497 4.467 1.00 0.00 H new ATOM 920 N ASP A 348 9.787 -3.224 0.408 1.00 0.00 N ATOM 921 CA ASP A 348 9.038 -3.236 -0.857 1.00 0.00 C ATOM 922 C ASP A 348 8.400 -4.535 -1.419 1.00 0.00 C ATOM 923 O ASP A 348 7.196 -4.561 -1.683 1.00 0.00 O ATOM 924 CB ASP A 348 9.878 -2.486 -1.895 1.00 0.00 C ATOM 925 CG ASP A 348 11.302 -3.050 -2.084 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.452 -4.169 -2.625 1.00 0.00 O ATOM 927 OD2 ASP A 348 12.280 -2.366 -1.696 1.00 0.00 O ATOM 0 H ASP A 348 9.867 -2.267 0.753 1.00 0.00 H new ATOM 0 HA ASP A 348 8.100 -2.745 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.359 -2.512 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 348 9.950 -1.439 -1.600 1.00 0.00 H new ATOM 932 N ARG A 349 9.159 -5.612 -1.601 1.00 0.00 N ATOM 933 CA ARG A 349 8.816 -6.890 -2.248 1.00 0.00 C ATOM 934 C ARG A 349 7.668 -7.742 -1.664 1.00 0.00 C ATOM 935 O ARG A 349 7.576 -8.921 -1.991 1.00 0.00 O ATOM 936 CB ARG A 349 10.103 -7.703 -2.381 1.00 0.00 C ATOM 937 CG ARG A 349 10.665 -8.085 -1.011 1.00 0.00 C ATOM 938 CD ARG A 349 11.494 -9.349 -1.171 1.00 0.00 C ATOM 939 NE ARG A 349 11.951 -9.856 0.135 1.00 0.00 N ATOM 940 CZ ARG A 349 12.883 -9.358 0.929 1.00 0.00 C ATOM 941 NH1 ARG A 349 13.624 -8.337 0.598 1.00 0.00 N ATOM 942 NH2 ARG A 349 13.082 -9.886 2.102 1.00 0.00 N ATOM 0 H ARG A 349 10.124 -5.620 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 349 8.381 -6.606 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 349 9.907 -8.605 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 349 10.845 -7.125 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 349 11.278 -7.276 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 349 9.855 -8.250 -0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 349 10.902 -10.114 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 349 12.356 -9.144 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 349 11.488 -10.701 0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 349 13.497 -7.887 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 349 14.331 -7.989 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 349 12.520 -10.681 2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 349 13.800 -9.505 2.718 1.00 0.00 H new ATOM 956 N ALA A 350 6.819 -7.237 -0.771 1.00 0.00 N ATOM 957 CA ALA A 350 6.428 -8.068 0.384 1.00 0.00 C ATOM 958 C ALA A 350 4.944 -8.366 0.625 1.00 0.00 C ATOM 959 O ALA A 350 4.570 -8.937 1.650 1.00 0.00 O ATOM 960 CB ALA A 350 7.132 -7.507 1.618 1.00 0.00 C ATOM 0 H ALA A 350 6.403 -6.307 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 350 6.760 -9.076 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.863 -8.101 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.211 -7.546 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.825 -6.473 1.774 1.00 0.00 H new ATOM 966 N ASN A 351 4.104 -8.026 -0.339 1.00 0.00 N ATOM 967 CA ASN A 351 2.656 -8.140 -0.235 1.00 0.00 C ATOM 968 C ASN A 351 2.082 -9.454 -0.763 1.00 0.00 C ATOM 969 O ASN A 351 1.223 -10.090 -0.149 1.00 0.00 O ATOM 970 CB ASN A 351 2.171 -7.005 -1.128 1.00 0.00 C ATOM 971 CG ASN A 351 0.667 -6.773 -1.076 1.00 0.00 C ATOM 972 OD1 ASN A 351 -0.105 -7.494 -0.465 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.183 -5.751 -1.726 1.00 0.00 N ATOM 0 H ASN A 351 4.416 -7.655 -1.236 1.00 0.00 H new ATOM 0 HA ASN A 351 2.344 -8.102 0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.680 -6.086 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.460 -7.218 -2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -0.821 -5.569 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.808 -5.134 -2.244 1.00 0.00 H new ATOM 980 N MET A 352 2.521 -9.800 -1.969 1.00 0.00 N ATOM 981 CA MET A 352 1.710 -10.576 -2.910 1.00 0.00 C ATOM 982 C MET A 352 2.388 -11.903 -3.186 1.00 0.00 C ATOM 983 O MET A 352 3.291 -12.019 -4.007 1.00 0.00 O ATOM 984 CB MET A 352 1.250 -9.747 -4.122 1.00 0.00 C ATOM 985 CG MET A 352 2.248 -9.020 -5.030 1.00 0.00 C ATOM 986 SD MET A 352 3.076 -9.974 -6.331 1.00 0.00 S ATOM 987 CE MET A 352 1.714 -10.168 -7.515 1.00 0.00 C ATOM 0 H MET A 352 3.445 -9.553 -2.324 1.00 0.00 H new ATOM 0 HA MET A 352 0.751 -10.839 -2.463 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.673 -10.416 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.560 -8.992 -3.744 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.722 -8.193 -5.507 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.019 -8.584 -4.395 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.660 -11.207 -7.840 1.00 0.00 H new ATOM 0 HE2 MET A 352 0.775 -9.887 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.888 -9.526 -8.379 1.00 0.00 H new ATOM 997 N GLN A 353 2.002 -12.895 -2.381 1.00 0.00 N ATOM 998 CA GLN A 353 2.655 -14.205 -2.309 1.00 0.00 C ATOM 999 C GLN A 353 4.163 -14.085 -1.962 1.00 0.00 C ATOM 1000 O GLN A 353 4.960 -14.942 -2.353 1.00 0.00 O ATOM 1001 CB GLN A 353 2.355 -15.016 -3.597 1.00 0.00 C ATOM 1002 CG GLN A 353 1.004 -14.735 -4.301 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.245 -14.854 -3.421 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.271 -15.500 -2.380 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.336 -14.212 -3.797 1.00 0.00 N ATOM 0 H GLN A 353 1.208 -12.808 -1.746 1.00 0.00 H new ATOM 0 HA GLN A 353 2.234 -14.773 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 353 3.156 -14.827 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 353 2.394 -16.076 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 353 1.036 -13.729 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.902 -15.425 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.336 -13.668 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.179 -14.260 -3.224 1.00 0.00 H new ATOM 1014 N HIS A 354 4.548 -13.002 -1.257 1.00 0.00 N ATOM 1015 CA HIS A 354 5.924 -12.520 -1.038 1.00 0.00 C ATOM 1016 C HIS A 354 6.726 -12.450 -2.358 1.00 0.00 C ATOM 1017 O HIS A 354 7.406 -13.410 -2.732 1.00 0.00 O ATOM 1018 CB HIS A 354 6.581 -13.354 0.079 1.00 0.00 C ATOM 1019 CG HIS A 354 7.926 -12.879 0.586 1.00 0.00 C ATOM 1020 ND1 HIS A 354 8.706 -13.557 1.498 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.591 -11.718 0.285 1.00 0.00 C ATOM 1022 CE1 HIS A 354 9.809 -12.832 1.739 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.787 -11.697 1.019 1.00 0.00 N ATOM 0 H HIS A 354 3.862 -12.404 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 354 5.909 -11.487 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 354 5.893 -13.391 0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.696 -14.376 -0.283 1.00 0.00 H new ATOM 0 HD1 HIS A 354 8.482 -14.459 1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.253 -10.953 -0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 354 10.601 -13.119 2.415 1.00 0.00 H new ATOM 1031 N ARG A 355 6.605 -11.335 -3.102 1.00 0.00 N ATOM 1032 CA ARG A 355 7.145 -11.220 -4.481 1.00 0.00 C ATOM 1033 C ARG A 355 7.498 -9.794 -4.932 1.00 0.00 C ATOM 1034 O ARG A 355 8.685 -9.605 -5.186 1.00 0.00 O ATOM 1035 CB ARG A 355 6.212 -11.922 -5.492 1.00 0.00 C ATOM 1036 CG ARG A 355 6.943 -12.630 -6.651 1.00 0.00 C ATOM 1037 CD ARG A 355 7.868 -13.784 -6.220 1.00 0.00 C ATOM 1038 NE ARG A 355 7.212 -14.694 -5.259 1.00 0.00 N ATOM 1039 CZ ARG A 355 6.675 -15.880 -5.471 1.00 0.00 C ATOM 1040 NH1 ARG A 355 6.748 -16.492 -6.620 1.00 0.00 N ATOM 1041 NH2 ARG A 355 6.036 -16.476 -4.507 1.00 0.00 N ATOM 0 H ARG A 355 6.135 -10.492 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 355 8.105 -11.735 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.606 -12.655 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 355 5.527 -11.184 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 355 6.200 -13.019 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 355 7.534 -11.892 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 355 8.177 -14.348 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 355 8.773 -13.374 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 355 7.168 -14.358 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 355 7.236 -16.054 -7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 355 6.317 -17.409 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 355 5.953 -16.026 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 355 5.618 -17.393 -4.663 1.00 0.00 H new ATOM 1055 N TYR A 356 6.540 -8.838 -4.986 1.00 0.00 N ATOM 1056 CA TYR A 356 6.713 -7.351 -5.064 1.00 0.00 C ATOM 1057 C TYR A 356 5.504 -6.508 -5.506 1.00 0.00 C ATOM 1058 O TYR A 356 4.654 -6.932 -6.285 1.00 0.00 O ATOM 1059 CB TYR A 356 7.966 -6.938 -5.893 1.00 0.00 C ATOM 1060 CG TYR A 356 8.249 -5.461 -6.137 1.00 0.00 C ATOM 1061 CD1 TYR A 356 7.684 -4.797 -7.247 1.00 0.00 C ATOM 1062 CD2 TYR A 356 9.146 -4.770 -5.297 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.041 -3.464 -7.532 1.00 0.00 C ATOM 1064 CE2 TYR A 356 9.511 -3.442 -5.587 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.959 -2.782 -6.703 1.00 0.00 C ATOM 1066 OH TYR A 356 9.315 -1.497 -6.972 1.00 0.00 O ATOM 0 H TYR A 356 5.553 -9.094 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 356 6.846 -7.105 -4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.840 -7.361 -5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.887 -7.421 -6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 356 6.976 -5.312 -7.880 1.00 0.00 H new ATOM 0 HD2 TYR A 356 9.555 -5.262 -4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 356 7.612 -2.962 -8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 356 10.217 -2.927 -4.952 1.00 0.00 H new ATOM 0 HH TYR A 356 8.959 -1.235 -7.847 1.00 0.00 H new ATOM 1076 N ILE A 357 5.516 -5.259 -5.015 1.00 0.00 N ATOM 1077 CA ILE A 357 4.650 -4.120 -5.344 1.00 0.00 C ATOM 1078 C ILE A 357 5.521 -2.865 -5.495 1.00 0.00 C ATOM 1079 O ILE A 357 6.480 -2.672 -4.745 1.00 0.00 O ATOM 1080 CB ILE A 357 3.677 -3.852 -4.180 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.809 -5.059 -3.804 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.781 -2.624 -4.422 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.794 -5.485 -4.859 1.00 0.00 C ATOM 0 H ILE A 357 6.202 -4.997 -4.307 1.00 0.00 H new ATOM 0 HA ILE A 357 4.104 -4.344 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 357 4.332 -3.645 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.464 -5.904 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.275 -4.829 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 357 2.117 -2.485 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.404 -1.738 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 357 2.187 -2.779 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.232 -6.345 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.109 -4.661 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.315 -5.753 -5.778 1.00 0.00 H new ATOM 1095 N GLU A 358 5.123 -1.961 -6.386 1.00 0.00 N ATOM 1096 CA GLU A 358 5.635 -0.587 -6.470 1.00 0.00 C ATOM 1097 C GLU A 358 5.184 0.247 -5.266 1.00 0.00 C ATOM 1098 O GLU A 358 4.274 1.073 -5.366 1.00 0.00 O ATOM 1099 CB GLU A 358 5.196 0.084 -7.795 1.00 0.00 C ATOM 1100 CG GLU A 358 5.524 -0.641 -9.112 1.00 0.00 C ATOM 1101 CD GLU A 358 6.892 -0.244 -9.698 1.00 0.00 C ATOM 1102 OE1 GLU A 358 7.929 -0.451 -9.024 1.00 0.00 O ATOM 1103 OE2 GLU A 358 6.941 0.255 -10.849 1.00 0.00 O ATOM 0 H GLU A 358 4.415 -2.165 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 358 6.724 -0.636 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.117 0.231 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.651 1.074 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 358 5.508 -1.717 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.746 -0.423 -9.843 1.00 0.00 H new ATOM 1110 N LEU A 359 5.816 0.014 -4.114 1.00 0.00 N ATOM 1111 CA LEU A 359 5.684 0.827 -2.917 1.00 0.00 C ATOM 1112 C LEU A 359 6.538 2.103 -2.972 1.00 0.00 C ATOM 1113 O LEU A 359 7.769 2.015 -2.964 1.00 0.00 O ATOM 1114 CB LEU A 359 6.147 -0.029 -1.734 1.00 0.00 C ATOM 1115 CG LEU A 359 5.238 -1.177 -1.271 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.810 -1.642 0.064 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.791 -0.696 -1.270 1.00 0.00 C ATOM 0 H LEU A 359 6.453 -0.773 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 359 4.645 1.142 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 359 7.117 -0.455 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.305 0.635 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 359 5.217 -2.046 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.207 -2.463 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.836 -1.981 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.796 -0.815 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.139 -1.505 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.689 0.150 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.509 -0.388 -2.277 1.00 0.00 H new ATOM 1129 N PHE A 360 5.898 3.279 -2.976 1.00 0.00 N ATOM 1130 CA PHE A 360 6.593 4.570 -3.109 1.00 0.00 C ATOM 1131 C PHE A 360 5.942 5.732 -2.349 1.00 0.00 C ATOM 1132 O PHE A 360 4.762 6.047 -2.528 1.00 0.00 O ATOM 1133 CB PHE A 360 6.690 4.934 -4.593 1.00 0.00 C ATOM 1134 CG PHE A 360 7.725 4.122 -5.336 1.00 0.00 C ATOM 1135 CD1 PHE A 360 9.065 4.550 -5.382 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.359 2.889 -5.903 1.00 0.00 C ATOM 1137 CE1 PHE A 360 10.039 3.739 -5.990 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.335 2.078 -6.504 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.674 2.502 -6.553 1.00 0.00 C ATOM 0 H PHE A 360 4.885 3.365 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 360 7.575 4.430 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.717 4.787 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.932 5.993 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.344 5.500 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.329 2.566 -5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.068 4.065 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 360 8.056 1.126 -6.930 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.422 1.880 -7.022 1.00 0.00 H new ATOM 1149 N LEU A 361 6.759 6.427 -1.552 1.00 0.00 N ATOM 1150 CA LEU A 361 6.440 7.742 -0.994 1.00 0.00 C ATOM 1151 C LEU A 361 6.254 8.787 -2.088 1.00 0.00 C ATOM 1152 O LEU A 361 6.801 8.704 -3.192 1.00 0.00 O ATOM 1153 CB LEU A 361 7.580 8.244 -0.086 1.00 0.00 C ATOM 1154 CG LEU A 361 7.790 7.427 1.179 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.210 7.553 1.736 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.855 7.894 2.269 1.00 0.00 C ATOM 0 H LEU A 361 7.678 6.084 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 361 5.516 7.617 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.508 8.247 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.375 9.277 0.195 1.00 0.00 H new ATOM 0 HG LEU A 361 7.600 6.392 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.302 6.949 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.925 7.204 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.416 8.596 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.018 7.299 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.048 8.944 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.823 7.776 1.938 1.00 0.00 H new ATOM 1168 N ASN A 362 5.507 9.815 -1.710 1.00 0.00 N ATOM 1169 CA ASN A 362 5.145 10.948 -2.549 1.00 0.00 C ATOM 1170 C ASN A 362 4.852 12.213 -1.710 1.00 0.00 C ATOM 1171 O ASN A 362 4.374 13.217 -2.244 1.00 0.00 O ATOM 1172 CB ASN A 362 3.946 10.464 -3.376 1.00 0.00 C ATOM 1173 CG ASN A 362 2.757 10.112 -2.504 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.175 10.951 -1.837 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.416 8.847 -2.440 1.00 0.00 N ATOM 0 H ASN A 362 5.120 9.885 -0.769 1.00 0.00 H new ATOM 0 HA ASN A 362 5.959 11.259 -3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.658 11.240 -4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 362 4.238 9.591 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.655 8.554 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.911 8.156 -3.004 1.00 0.00 H new ATOM 1182 N SER A 363 5.117 12.149 -0.396 1.00 0.00 N ATOM 1183 CA SER A 363 4.534 13.066 0.603 1.00 0.00 C ATOM 1184 C SER A 363 5.551 13.575 1.644 1.00 0.00 C ATOM 1185 O SER A 363 6.735 13.231 1.603 1.00 0.00 O ATOM 1186 CB SER A 363 3.366 12.331 1.282 1.00 0.00 C ATOM 1187 OG SER A 363 2.162 12.470 0.553 1.00 0.00 O ATOM 0 H SER A 363 5.746 11.455 0.009 1.00 0.00 H new ATOM 0 HA SER A 363 4.189 13.964 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.611 11.273 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.228 12.722 2.290 1.00 0.00 H new ATOM 0 HG SER A 363 2.216 11.944 -0.272 1.00 0.00 H new ATOM 1193 N THR A 364 5.073 14.367 2.614 1.00 0.00 N ATOM 1194 CA THR A 364 5.851 15.001 3.703 1.00 0.00 C ATOM 1195 C THR A 364 5.234 14.656 5.065 1.00 0.00 C ATOM 1196 O THR A 364 4.062 14.295 5.147 1.00 0.00 O ATOM 1197 CB THR A 364 5.864 16.535 3.525 1.00 0.00 C ATOM 1198 OG1 THR A 364 6.168 16.882 2.186 1.00 0.00 O ATOM 1199 CG2 THR A 364 6.898 17.255 4.399 1.00 0.00 C ATOM 0 H THR A 364 4.081 14.599 2.669 1.00 0.00 H new ATOM 0 HA THR A 364 6.872 14.623 3.662 1.00 0.00 H new ATOM 0 HB THR A 364 4.864 16.852 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 364 6.170 17.858 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 364 6.845 18.328 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.689 17.055 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 364 7.897 16.894 4.153 1.00 0.00 H new ATOM 1207 N THR A 365 5.999 14.735 6.155 1.00 0.00 N ATOM 1208 CA THR A 365 5.559 14.566 7.563 1.00 0.00 C ATOM 1209 C THR A 365 4.656 15.715 8.067 1.00 0.00 C ATOM 1210 O THR A 365 4.967 16.451 9.006 1.00 0.00 O ATOM 1211 CB THR A 365 6.755 14.172 8.466 1.00 0.00 C ATOM 1212 OG1 THR A 365 6.547 14.346 9.847 1.00 0.00 O ATOM 1213 CG2 THR A 365 8.112 14.750 8.053 1.00 0.00 C ATOM 0 H THR A 365 6.998 14.929 6.088 1.00 0.00 H new ATOM 0 HA THR A 365 4.877 13.717 7.619 1.00 0.00 H new ATOM 0 HB THR A 365 6.803 13.099 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 365 6.004 15.148 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.879 14.413 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 365 8.361 14.410 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 365 8.063 15.839 8.066 1.00 0.00 H new ATOM 1221 N GLY A 366 3.482 15.829 7.440 1.00 0.00 N ATOM 1222 CA GLY A 366 2.219 16.043 8.156 1.00 0.00 C ATOM 1223 C GLY A 366 1.686 14.720 8.725 1.00 0.00 C ATOM 1224 O GLY A 366 2.226 13.656 8.411 1.00 0.00 O ATOM 0 H GLY A 366 3.379 15.776 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 366 2.371 16.758 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 366 1.482 16.477 7.481 1.00 0.00 H new ATOM 1228 N ALA A 367 0.623 14.766 9.534 1.00 0.00 N ATOM 1229 CA ALA A 367 0.037 13.592 10.200 1.00 0.00 C ATOM 1230 C ALA A 367 -1.489 13.506 10.030 1.00 0.00 C ATOM 1231 O ALA A 367 -1.987 12.424 9.655 1.00 0.00 O ATOM 1232 CB ALA A 367 0.455 13.589 11.679 1.00 0.00 C ATOM 0 H ALA A 367 0.135 15.635 9.750 1.00 0.00 H new ATOM 0 HA ALA A 367 0.427 12.696 9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 367 0.023 12.721 12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 367 1.542 13.545 11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 367 0.097 14.499 12.160 1.00 0.00 H new TER 1238 ALA A 367