USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 496 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 16 CYS SG : rot 74:sc= -1.8! USER MOD Set 1.2: A 78 CYS SG : rot -138:sc= -1.66! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -118:sc= -0.834 (180deg=-4.32!) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= 1.15 (180deg=0.75) USER MOD Single : A 29 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.011) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -46:sc= 0.311 USER MOD Single : A 37 MET CE :methyl -151:sc= -1.6 (180deg=-2.83!) USER MOD Single : A 39 MET CE :methyl 156:sc= -0.171 (180deg=-1.28) USER MOD Single : A 41 THR OG1 : rot 71:sc= 0.352 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.0907 (180deg=-0.0907) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 47 TYR OH : rot 70:sc= 0.927 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.03) USER MOD Single : A 52 THR OG1 : rot -70:sc= 0.215 USER MOD Single : A 56 MET CE :methyl 139:sc= -0.227 (180deg=-2.94!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.956) USER MOD Single : A 68 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.3!) USER MOD Single : A 76 THR OG1 : rot 163:sc= 1.11 USER MOD Single : A 79 SER OG : rot -31:sc= 0.996 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.657 -30.421 -23.277 1.00 0.00 N ATOM 159 CA GLU A 12 27.885 -29.616 -23.141 1.00 0.00 C ATOM 160 C GLU A 12 28.080 -28.638 -24.315 1.00 0.00 C ATOM 161 O GLU A 12 28.607 -27.536 -24.160 1.00 0.00 O ATOM 162 CB GLU A 12 29.128 -30.504 -22.974 1.00 0.00 C ATOM 163 CG GLU A 12 30.362 -29.701 -22.527 1.00 0.00 C ATOM 164 CD GLU A 12 30.413 -29.493 -21.017 1.00 0.00 C ATOM 165 OE1 GLU A 12 29.486 -29.940 -20.305 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.397 -28.892 -20.534 1.00 0.00 O ATOM 0 HA GLU A 12 27.760 -29.022 -22.235 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.919 -31.284 -22.241 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.345 -31.004 -23.918 1.00 0.00 H new ATOM 0 HG2 GLU A 12 31.265 -30.220 -22.849 1.00 0.00 H new ATOM 0 HG3 GLU A 12 30.358 -28.731 -23.023 1.00 0.00 H new ATOM 173 N LYS A 13 27.629 -29.039 -25.504 1.00 0.00 N ATOM 174 CA LYS A 13 27.612 -28.087 -26.613 1.00 0.00 C ATOM 175 C LYS A 13 26.702 -26.873 -26.366 1.00 0.00 C ATOM 176 O LYS A 13 27.061 -25.738 -26.686 1.00 0.00 O ATOM 177 CB LYS A 13 27.317 -28.751 -27.968 1.00 0.00 C ATOM 178 CG LYS A 13 25.841 -29.141 -28.140 1.00 0.00 C ATOM 179 CD LYS A 13 25.038 -28.004 -28.788 1.00 0.00 C ATOM 180 CE LYS A 13 23.532 -28.262 -28.676 1.00 0.00 C ATOM 181 NZ LYS A 13 22.799 -26.981 -28.692 1.00 0.00 N ATOM 0 H LYS A 13 27.285 -29.975 -25.719 1.00 0.00 H new ATOM 0 HA LYS A 13 28.630 -27.700 -26.663 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.602 -28.069 -28.769 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.936 -29.642 -28.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.768 -30.038 -28.756 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.411 -29.386 -27.169 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.285 -27.058 -28.305 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.317 -27.909 -29.837 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.200 -28.891 -29.502 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.315 -28.804 -27.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.778 -27.164 -28.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 23.107 -26.395 -27.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.995 -26.480 -29.582 1.00 0.00 H new ATOM 195 N ASP A 14 25.494 -27.106 -25.839 1.00 0.00 N ATOM 196 CA ASP A 14 24.657 -25.962 -25.469 1.00 0.00 C ATOM 197 C ASP A 14 25.358 -25.054 -24.457 1.00 0.00 C ATOM 198 O ASP A 14 25.257 -23.831 -24.512 1.00 0.00 O ATOM 199 CB ASP A 14 23.265 -26.355 -24.962 1.00 0.00 C ATOM 200 CG ASP A 14 22.284 -25.197 -25.081 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.683 -25.032 -26.165 1.00 0.00 O ATOM 202 OD2 ASP A 14 22.117 -24.442 -24.098 1.00 0.00 O ATOM 0 H ASP A 14 25.091 -28.027 -25.666 1.00 0.00 H new ATOM 0 HA ASP A 14 24.505 -25.407 -26.395 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.895 -27.207 -25.532 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.331 -26.672 -23.921 1.00 0.00 H new ATOM 207 N GLU A 15 26.101 -25.668 -23.544 1.00 0.00 N ATOM 208 CA GLU A 15 26.926 -24.883 -22.621 1.00 0.00 C ATOM 209 C GLU A 15 27.944 -23.981 -23.316 1.00 0.00 C ATOM 210 O GLU A 15 28.129 -22.825 -22.937 1.00 0.00 O ATOM 211 CB GLU A 15 27.657 -25.784 -21.611 1.00 0.00 C ATOM 212 CG GLU A 15 26.789 -26.106 -20.388 1.00 0.00 C ATOM 213 CD GLU A 15 26.462 -24.866 -19.564 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.245 -24.527 -18.651 1.00 0.00 O ATOM 215 OE2 GLU A 15 25.415 -24.231 -19.819 1.00 0.00 O ATOM 0 H GLU A 15 26.153 -26.679 -23.420 1.00 0.00 H new ATOM 0 HA GLU A 15 26.221 -24.236 -22.099 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.950 -26.712 -22.101 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.573 -25.292 -21.285 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.862 -26.575 -20.717 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.307 -26.830 -19.759 1.00 0.00 H new ATOM 222 N CYS A 16 28.616 -24.498 -24.338 1.00 0.00 N ATOM 223 CA CYS A 16 29.668 -23.670 -24.962 1.00 0.00 C ATOM 224 C CYS A 16 29.029 -22.591 -25.875 1.00 0.00 C ATOM 225 O CYS A 16 29.609 -21.517 -26.023 1.00 0.00 O ATOM 226 CB CYS A 16 30.530 -24.654 -25.772 1.00 0.00 C ATOM 227 SG CYS A 16 30.819 -26.172 -24.805 1.00 0.00 S ATOM 0 H CYS A 16 28.474 -25.425 -24.740 1.00 0.00 H new ATOM 0 HA CYS A 16 30.267 -23.134 -24.226 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.032 -24.900 -26.710 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.482 -24.190 -26.029 1.00 0.00 H new ATOM 0 HG CYS A 16 29.733 -26.887 -24.784 1.00 0.00 H new ATOM 233 N MET A 17 27.839 -22.799 -26.467 1.00 0.00 N ATOM 234 CA MET A 17 27.182 -21.645 -27.124 1.00 0.00 C ATOM 235 C MET A 17 26.559 -20.685 -26.088 1.00 0.00 C ATOM 236 O MET A 17 26.534 -19.467 -26.275 1.00 0.00 O ATOM 237 CB MET A 17 26.139 -21.992 -28.206 1.00 0.00 C ATOM 238 CG MET A 17 26.083 -20.994 -29.387 1.00 0.00 C ATOM 239 SD MET A 17 27.433 -19.788 -29.334 1.00 0.00 S ATOM 240 CE MET A 17 28.466 -20.300 -30.732 1.00 0.00 C ATOM 0 H MET A 17 27.338 -23.687 -26.508 1.00 0.00 H new ATOM 0 HA MET A 17 27.999 -21.155 -27.654 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.357 -22.986 -28.597 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.154 -22.041 -27.741 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.127 -21.544 -30.327 1.00 0.00 H new ATOM 0 HG3 MET A 17 25.128 -20.468 -29.370 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.451 -20.594 -30.368 1.00 0.00 H new ATOM 0 HE2 MET A 17 27.999 -21.145 -31.239 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.570 -19.470 -31.431 1.00 0.00 H new ATOM 250 N LYS A 18 26.053 -21.238 -24.982 1.00 0.00 N ATOM 251 CA LYS A 18 25.558 -20.389 -23.893 1.00 0.00 C ATOM 252 C LYS A 18 26.655 -19.490 -23.309 1.00 0.00 C ATOM 253 O LYS A 18 26.493 -18.275 -23.178 1.00 0.00 O ATOM 254 CB LYS A 18 24.924 -21.250 -22.791 1.00 0.00 C ATOM 255 CG LYS A 18 23.827 -20.517 -22.011 1.00 0.00 C ATOM 256 CD LYS A 18 22.485 -21.243 -22.165 1.00 0.00 C ATOM 257 CE LYS A 18 22.344 -22.403 -21.169 1.00 0.00 C ATOM 258 NZ LYS A 18 22.976 -23.627 -21.701 1.00 0.00 N ATOM 0 H LYS A 18 25.976 -22.242 -24.818 1.00 0.00 H new ATOM 0 HA LYS A 18 24.798 -19.732 -24.316 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.503 -22.150 -23.239 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.701 -21.572 -22.098 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.098 -20.460 -20.957 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.737 -19.493 -22.373 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.670 -20.535 -22.015 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.393 -21.624 -23.182 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.806 -22.132 -20.220 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.289 -22.590 -20.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.501 -24.463 -21.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.891 -23.639 -22.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.982 -23.642 -21.436 1.00 0.00 H new ATOM 272 N ILE A 19 27.792 -20.090 -22.962 1.00 0.00 N ATOM 273 CA ILE A 19 28.930 -19.267 -22.537 1.00 0.00 C ATOM 274 C ILE A 19 29.497 -18.397 -23.667 1.00 0.00 C ATOM 275 O ILE A 19 30.126 -17.371 -23.424 1.00 0.00 O ATOM 276 CB ILE A 19 30.029 -20.044 -21.804 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.967 -19.052 -21.110 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.805 -20.984 -22.731 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.752 -19.702 -19.978 1.00 0.00 C ATOM 0 H ILE A 19 27.951 -21.097 -22.964 1.00 0.00 H new ATOM 0 HA ILE A 19 28.509 -18.588 -21.795 1.00 0.00 H new ATOM 0 HB ILE A 19 29.554 -20.683 -21.059 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.661 -18.638 -21.841 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.385 -18.219 -20.716 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.571 -21.509 -22.159 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.120 -21.709 -23.171 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.278 -20.404 -23.524 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.404 -18.961 -19.515 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.059 -20.093 -19.232 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.355 -20.518 -20.375 1.00 0.00 H new ATOM 291 N PHE A 20 29.290 -18.802 -24.914 1.00 0.00 N ATOM 292 CA PHE A 20 29.639 -17.906 -26.018 1.00 0.00 C ATOM 293 C PHE A 20 28.852 -16.588 -25.930 1.00 0.00 C ATOM 294 O PHE A 20 29.418 -15.502 -26.002 1.00 0.00 O ATOM 295 CB PHE A 20 29.463 -18.592 -27.382 1.00 0.00 C ATOM 296 CG PHE A 20 30.288 -17.951 -28.481 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.637 -17.858 -28.380 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.675 -17.483 -29.593 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.315 -17.025 -29.204 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.342 -16.641 -30.418 1.00 0.00 C ATOM 301 CZ PHE A 20 31.650 -16.363 -30.183 1.00 0.00 C ATOM 0 H PHE A 20 28.899 -19.705 -25.184 1.00 0.00 H new ATOM 0 HA PHE A 20 30.697 -17.660 -25.925 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.741 -19.642 -27.292 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.410 -18.564 -27.663 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.168 -18.446 -27.646 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.662 -17.779 -29.821 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.379 -16.888 -29.082 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.835 -16.192 -31.260 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.160 -15.617 -30.774 1.00 0.00 H new ATOM 311 N ASP A 21 27.550 -16.687 -25.669 1.00 0.00 N ATOM 312 CA ASP A 21 26.748 -15.468 -25.481 1.00 0.00 C ATOM 313 C ASP A 21 27.069 -14.710 -24.181 1.00 0.00 C ATOM 314 O ASP A 21 27.133 -13.481 -24.155 1.00 0.00 O ATOM 315 CB ASP A 21 25.250 -15.792 -25.553 1.00 0.00 C ATOM 316 CG ASP A 21 24.418 -14.586 -25.971 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.300 -14.329 -27.189 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.869 -13.898 -25.084 1.00 0.00 O ATOM 0 H ASP A 21 27.037 -17.564 -25.584 1.00 0.00 H new ATOM 0 HA ASP A 21 27.020 -14.800 -26.299 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.090 -16.605 -26.262 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.910 -16.146 -24.580 1.00 0.00 H new ATOM 323 N ILE A 22 27.277 -15.449 -23.094 1.00 0.00 N ATOM 324 CA ILE A 22 27.646 -14.762 -21.831 1.00 0.00 C ATOM 325 C ILE A 22 29.050 -14.135 -21.909 1.00 0.00 C ATOM 326 O ILE A 22 29.252 -12.962 -21.595 1.00 0.00 O ATOM 327 CB ILE A 22 27.540 -15.583 -20.507 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.115 -16.093 -20.223 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.961 -14.703 -19.323 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.172 -17.323 -19.312 1.00 0.00 C ATOM 0 H ILE A 22 27.206 -16.465 -23.044 1.00 0.00 H new ATOM 0 HA ILE A 22 26.868 -14.002 -21.761 1.00 0.00 H new ATOM 0 HB ILE A 22 28.195 -16.446 -20.629 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.526 -15.307 -19.751 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.617 -16.346 -21.159 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.887 -15.276 -18.399 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.990 -14.372 -19.463 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.306 -13.834 -19.264 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.160 -17.678 -19.116 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.745 -18.111 -19.801 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.652 -17.056 -18.370 1.00 0.00 H new ATOM 342 N PHE A 23 30.027 -14.935 -22.308 1.00 0.00 N ATOM 343 CA PHE A 23 31.416 -14.456 -22.285 1.00 0.00 C ATOM 344 C PHE A 23 31.832 -13.655 -23.532 1.00 0.00 C ATOM 345 O PHE A 23 32.983 -13.228 -23.631 1.00 0.00 O ATOM 346 CB PHE A 23 32.430 -15.600 -22.179 1.00 0.00 C ATOM 347 CG PHE A 23 32.564 -16.161 -20.768 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.506 -16.180 -19.917 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.761 -16.654 -20.360 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.674 -16.568 -18.631 1.00 0.00 C ATOM 351 CE2 PHE A 23 33.934 -17.019 -19.068 1.00 0.00 C ATOM 352 CZ PHE A 23 32.882 -17.010 -18.213 1.00 0.00 C ATOM 0 H PHE A 23 29.900 -15.890 -22.643 1.00 0.00 H new ATOM 0 HA PHE A 23 31.431 -13.813 -21.405 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.133 -16.402 -22.854 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.404 -15.245 -22.515 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.528 -15.885 -20.267 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.573 -16.755 -21.064 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.845 -16.525 -17.940 1.00 0.00 H new ATOM 0 HE2 PHE A 23 34.911 -17.318 -18.718 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.009 -17.356 -17.198 1.00 0.00 H new ATOM 362 N ASP A 24 30.938 -13.474 -24.511 1.00 0.00 N ATOM 363 CA ASP A 24 31.398 -12.913 -25.797 1.00 0.00 C ATOM 364 C ASP A 24 32.136 -11.548 -25.701 1.00 0.00 C ATOM 365 O ASP A 24 32.789 -11.134 -26.657 1.00 0.00 O ATOM 366 CB ASP A 24 30.296 -12.873 -26.886 1.00 0.00 C ATOM 367 CG ASP A 24 30.584 -13.821 -28.045 1.00 0.00 C ATOM 368 OD1 ASP A 24 31.763 -13.959 -28.438 1.00 0.00 O ATOM 369 OD2 ASP A 24 29.624 -14.409 -28.587 1.00 0.00 O ATOM 0 H ASP A 24 29.943 -13.692 -24.452 1.00 0.00 H new ATOM 0 HA ASP A 24 32.152 -13.634 -26.114 1.00 0.00 H new ATOM 0 HB2 ASP A 24 29.337 -13.134 -26.438 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.204 -11.856 -27.267 1.00 0.00 H new ATOM 437 N ASN A 29 32.093 -10.764 -29.772 1.00 0.00 N ATOM 438 CA ASN A 29 32.450 -11.812 -30.736 1.00 0.00 C ATOM 439 C ASN A 29 33.943 -12.157 -30.758 1.00 0.00 C ATOM 440 O ASN A 29 34.472 -12.586 -31.782 1.00 0.00 O ATOM 441 CB ASN A 29 31.930 -11.514 -32.160 1.00 0.00 C ATOM 442 CG ASN A 29 32.244 -10.091 -32.645 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.518 -9.520 -33.456 1.00 0.00 O ATOM 444 ND2 ASN A 29 33.321 -9.497 -32.159 1.00 0.00 N ATOM 0 HA ASN A 29 31.935 -12.701 -30.372 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.368 -12.230 -32.855 1.00 0.00 H new ATOM 0 HB3 ASN A 29 30.851 -11.667 -32.183 1.00 0.00 H new ATOM 0 HD21 ASN A 29 33.560 -8.551 -32.456 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.913 -9.985 -31.487 1.00 0.00 H new ATOM 451 N ILE A 30 34.637 -11.971 -29.637 1.00 0.00 N ATOM 452 CA ILE A 30 36.061 -12.346 -29.605 1.00 0.00 C ATOM 453 C ILE A 30 36.593 -12.413 -28.156 1.00 0.00 C ATOM 454 O ILE A 30 37.020 -11.418 -27.570 1.00 0.00 O ATOM 455 CB ILE A 30 36.909 -11.552 -30.634 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.386 -11.928 -30.602 1.00 0.00 C ATOM 457 CG2 ILE A 30 36.759 -10.038 -30.429 1.00 0.00 C ATOM 458 CD1 ILE A 30 39.050 -11.678 -31.957 1.00 0.00 C ATOM 0 H ILE A 30 34.264 -11.581 -28.771 1.00 0.00 H new ATOM 0 HA ILE A 30 36.169 -13.370 -29.963 1.00 0.00 H new ATOM 0 HB ILE A 30 36.519 -11.825 -31.615 1.00 0.00 H new ATOM 0 HG12 ILE A 30 38.895 -11.348 -29.832 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.491 -12.979 -30.331 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.365 -9.509 -31.165 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.713 -9.756 -30.550 1.00 0.00 H new ATOM 0 HG23 ILE A 30 37.092 -9.772 -29.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 40.103 -11.955 -31.903 1.00 0.00 H new ATOM 0 HD12 ILE A 30 38.555 -12.278 -32.721 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.966 -10.622 -32.214 1.00 0.00 H new ATOM 470 N ALA A 31 36.578 -13.623 -27.588 1.00 0.00 N ATOM 471 CA ALA A 31 36.909 -13.781 -26.156 1.00 0.00 C ATOM 472 C ALA A 31 38.246 -14.529 -25.917 1.00 0.00 C ATOM 473 O ALA A 31 38.479 -15.581 -26.505 1.00 0.00 O ATOM 474 CB ALA A 31 35.790 -14.500 -25.402 1.00 0.00 C ATOM 0 H ALA A 31 36.348 -14.489 -28.076 1.00 0.00 H new ATOM 0 HA ALA A 31 37.021 -12.768 -25.771 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.065 -14.600 -24.352 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.868 -13.924 -25.483 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.638 -15.489 -25.833 1.00 0.00 H new ATOM 480 N PRO A 32 39.093 -14.085 -24.971 1.00 0.00 N ATOM 481 CA PRO A 32 40.485 -14.581 -24.937 1.00 0.00 C ATOM 482 C PRO A 32 40.665 -15.868 -24.099 1.00 0.00 C ATOM 483 O PRO A 32 39.707 -16.534 -23.709 1.00 0.00 O ATOM 484 CB PRO A 32 41.252 -13.407 -24.308 1.00 0.00 C ATOM 485 CG PRO A 32 40.219 -12.489 -23.652 1.00 0.00 C ATOM 486 CD PRO A 32 38.896 -12.779 -24.346 1.00 0.00 C ATOM 0 HA PRO A 32 40.834 -14.867 -25.929 1.00 0.00 H new ATOM 0 HB2 PRO A 32 41.969 -13.767 -23.571 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.819 -12.868 -25.067 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.149 -12.683 -22.582 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.499 -11.442 -23.768 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.070 -12.799 -23.635 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.660 -12.015 -25.087 1.00 0.00 H new ATOM 494 N VAL A 33 41.928 -16.224 -23.838 1.00 0.00 N ATOM 495 CA VAL A 33 42.211 -17.404 -22.974 1.00 0.00 C ATOM 496 C VAL A 33 41.604 -17.275 -21.566 1.00 0.00 C ATOM 497 O VAL A 33 41.101 -18.245 -20.999 1.00 0.00 O ATOM 498 CB VAL A 33 43.706 -17.776 -22.769 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.075 -19.049 -23.543 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.660 -16.637 -23.141 1.00 0.00 C ATOM 0 H VAL A 33 42.753 -15.740 -24.192 1.00 0.00 H new ATOM 0 HA VAL A 33 41.741 -18.197 -23.556 1.00 0.00 H new ATOM 0 HB VAL A 33 43.826 -17.963 -21.702 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.127 -19.282 -23.379 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.460 -19.878 -23.193 1.00 0.00 H new ATOM 0 HG13 VAL A 33 43.900 -18.891 -24.607 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.689 -16.956 -22.977 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.524 -16.377 -24.191 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.447 -15.767 -22.521 1.00 0.00 H new ATOM 510 N SER A 34 41.714 -16.090 -20.960 1.00 0.00 N ATOM 511 CA SER A 34 41.081 -15.897 -19.645 1.00 0.00 C ATOM 512 C SER A 34 39.593 -16.280 -19.643 1.00 0.00 C ATOM 513 O SER A 34 39.051 -16.760 -18.648 1.00 0.00 O ATOM 514 CB SER A 34 41.268 -14.475 -19.107 1.00 0.00 C ATOM 515 OG SER A 34 40.610 -13.541 -19.953 1.00 0.00 O ATOM 0 H SER A 34 42.210 -15.281 -21.334 1.00 0.00 H new ATOM 0 HA SER A 34 41.600 -16.579 -18.972 1.00 0.00 H new ATOM 0 HB2 SER A 34 40.868 -14.405 -18.095 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.330 -14.237 -19.047 1.00 0.00 H new ATOM 0 HG SER A 34 40.734 -12.635 -19.599 1.00 0.00 H new ATOM 521 N ASP A 35 38.932 -16.062 -20.777 1.00 0.00 N ATOM 522 CA ASP A 35 37.569 -16.580 -20.942 1.00 0.00 C ATOM 523 C ASP A 35 37.491 -18.117 -20.784 1.00 0.00 C ATOM 524 O ASP A 35 36.614 -18.632 -20.098 1.00 0.00 O ATOM 525 CB ASP A 35 36.911 -16.002 -22.218 1.00 0.00 C ATOM 526 CG ASP A 35 36.319 -17.041 -23.166 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.084 -17.843 -23.744 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.085 -17.034 -23.363 1.00 0.00 O ATOM 0 H ASP A 35 39.301 -15.546 -21.576 1.00 0.00 H new ATOM 0 HA ASP A 35 36.956 -16.219 -20.117 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.121 -15.312 -21.921 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.656 -15.420 -22.761 1.00 0.00 H new ATOM 533 N THR A 36 38.441 -18.848 -21.371 1.00 0.00 N ATOM 534 CA THR A 36 38.476 -20.314 -21.165 1.00 0.00 C ATOM 535 C THR A 36 38.750 -20.709 -19.688 1.00 0.00 C ATOM 536 O THR A 36 38.265 -21.732 -19.200 1.00 0.00 O ATOM 537 CB THR A 36 39.437 -21.017 -22.162 1.00 0.00 C ATOM 538 OG1 THR A 36 39.072 -20.666 -23.489 1.00 0.00 O ATOM 539 CG2 THR A 36 39.405 -22.549 -22.054 1.00 0.00 C ATOM 0 H THR A 36 39.175 -18.475 -21.973 1.00 0.00 H new ATOM 0 HA THR A 36 37.474 -20.682 -21.386 1.00 0.00 H new ATOM 0 HB THR A 36 40.444 -20.683 -21.913 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.101 -20.749 -23.594 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.098 -22.979 -22.777 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.698 -22.849 -21.048 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.397 -22.907 -22.261 1.00 0.00 H new ATOM 547 N MET A 37 39.493 -19.871 -18.957 1.00 0.00 N ATOM 548 CA MET A 37 39.734 -20.166 -17.530 1.00 0.00 C ATOM 549 C MET A 37 38.501 -19.903 -16.656 1.00 0.00 C ATOM 550 O MET A 37 37.999 -20.796 -15.970 1.00 0.00 O ATOM 551 CB MET A 37 40.928 -19.399 -16.931 1.00 0.00 C ATOM 552 CG MET A 37 42.192 -19.486 -17.786 1.00 0.00 C ATOM 553 SD MET A 37 42.530 -21.199 -18.209 1.00 0.00 S ATOM 554 CE MET A 37 42.452 -21.042 -19.995 1.00 0.00 C ATOM 0 H MET A 37 39.925 -19.015 -19.306 1.00 0.00 H new ATOM 0 HA MET A 37 39.969 -21.230 -17.521 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.653 -18.352 -16.807 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.142 -19.792 -15.937 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.068 -18.896 -18.694 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.038 -19.063 -17.244 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.125 -21.987 -20.429 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.745 -20.256 -20.261 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.439 -20.788 -20.381 1.00 0.00 H new ATOM 564 N ASP A 38 38.035 -18.651 -16.640 1.00 0.00 N ATOM 565 CA ASP A 38 36.773 -18.357 -15.936 1.00 0.00 C ATOM 566 C ASP A 38 35.625 -19.264 -16.401 1.00 0.00 C ATOM 567 O ASP A 38 34.733 -19.630 -15.635 1.00 0.00 O ATOM 568 CB ASP A 38 36.349 -16.890 -16.081 1.00 0.00 C ATOM 569 CG ASP A 38 37.245 -15.954 -15.284 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.315 -15.559 -15.796 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.877 -15.603 -14.143 1.00 0.00 O ATOM 0 H ASP A 38 38.486 -17.851 -17.085 1.00 0.00 H new ATOM 0 HA ASP A 38 36.976 -18.557 -14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.376 -16.608 -17.133 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.318 -16.776 -15.746 1.00 0.00 H new ATOM 576 N MET A 39 35.650 -19.604 -17.685 1.00 0.00 N ATOM 577 CA MET A 39 34.718 -20.599 -18.211 1.00 0.00 C ATOM 578 C MET A 39 34.752 -21.914 -17.453 1.00 0.00 C ATOM 579 O MET A 39 33.763 -22.338 -16.864 1.00 0.00 O ATOM 580 CB MET A 39 35.026 -20.858 -19.690 1.00 0.00 C ATOM 581 CG MET A 39 34.292 -22.068 -20.284 1.00 0.00 C ATOM 582 SD MET A 39 35.423 -23.000 -21.336 1.00 0.00 S ATOM 583 CE MET A 39 34.236 -23.846 -22.396 1.00 0.00 C ATOM 0 H MET A 39 36.294 -19.213 -18.373 1.00 0.00 H new ATOM 0 HA MET A 39 33.716 -20.187 -18.088 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.763 -19.970 -20.265 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.100 -21.006 -19.805 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.913 -22.705 -19.485 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.430 -21.736 -20.863 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.715 -24.113 -23.338 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.884 -24.750 -21.899 1.00 0.00 H new ATOM 0 HE3 MET A 39 33.390 -23.188 -22.593 1.00 0.00 H new ATOM 593 N LEU A 40 35.891 -22.585 -17.478 1.00 0.00 N ATOM 594 CA LEU A 40 35.913 -23.929 -16.888 1.00 0.00 C ATOM 595 C LEU A 40 35.885 -23.935 -15.353 1.00 0.00 C ATOM 596 O LEU A 40 35.671 -24.969 -14.720 1.00 0.00 O ATOM 597 CB LEU A 40 36.976 -24.806 -17.553 1.00 0.00 C ATOM 598 CG LEU A 40 36.710 -24.851 -19.070 1.00 0.00 C ATOM 599 CD1 LEU A 40 37.975 -25.186 -19.848 1.00 0.00 C ATOM 600 CD2 LEU A 40 35.603 -25.855 -19.393 1.00 0.00 C ATOM 0 H LEU A 40 36.771 -22.254 -17.874 1.00 0.00 H new ATOM 0 HA LEU A 40 34.965 -24.414 -17.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.971 -24.406 -17.357 1.00 0.00 H new ATOM 0 HB3 LEU A 40 36.949 -25.813 -17.136 1.00 0.00 H new ATOM 0 HG LEU A 40 36.382 -23.858 -19.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.751 -25.209 -20.914 1.00 0.00 H new ATOM 0 HD12 LEU A 40 38.733 -24.428 -19.653 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.348 -26.161 -19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.430 -25.872 -20.469 1.00 0.00 H new ATOM 0 HD22 LEU A 40 35.903 -26.848 -19.058 1.00 0.00 H new ATOM 0 HD23 LEU A 40 34.686 -25.562 -18.883 1.00 0.00 H new ATOM 612 N THR A 41 36.035 -22.761 -14.751 1.00 0.00 N ATOM 613 CA THR A 41 35.728 -22.641 -13.324 1.00 0.00 C ATOM 614 C THR A 41 34.212 -22.465 -13.084 1.00 0.00 C ATOM 615 O THR A 41 33.650 -23.005 -12.131 1.00 0.00 O ATOM 616 CB THR A 41 36.520 -21.513 -12.641 1.00 0.00 C ATOM 617 OG1 THR A 41 37.887 -21.594 -13.025 1.00 0.00 O ATOM 618 CG2 THR A 41 36.433 -21.622 -11.116 1.00 0.00 C ATOM 0 H THR A 41 36.355 -21.905 -15.205 1.00 0.00 H new ATOM 0 HA THR A 41 36.042 -23.578 -12.865 1.00 0.00 H new ATOM 0 HB THR A 41 36.090 -20.561 -12.952 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.979 -21.332 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.002 -20.812 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.391 -21.553 -10.805 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.844 -22.579 -10.796 1.00 0.00 H new ATOM 626 N LYS A 42 33.540 -21.717 -13.965 1.00 0.00 N ATOM 627 CA LYS A 42 32.107 -21.453 -13.756 1.00 0.00 C ATOM 628 C LYS A 42 31.149 -22.387 -14.512 1.00 0.00 C ATOM 629 O LYS A 42 30.064 -22.700 -14.022 1.00 0.00 O ATOM 630 CB LYS A 42 31.740 -19.989 -14.034 1.00 0.00 C ATOM 631 CG LYS A 42 32.411 -19.036 -13.035 1.00 0.00 C ATOM 632 CD LYS A 42 31.724 -17.664 -13.029 1.00 0.00 C ATOM 633 CE LYS A 42 32.089 -16.837 -14.267 1.00 0.00 C ATOM 634 NZ LYS A 42 33.395 -16.178 -14.070 1.00 0.00 N ATOM 0 H LYS A 42 33.944 -21.296 -14.802 1.00 0.00 H new ATOM 0 HA LYS A 42 31.963 -21.670 -12.698 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.041 -19.725 -15.048 1.00 0.00 H new ATOM 0 HB3 LYS A 42 30.658 -19.869 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.374 -19.468 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 42 33.464 -18.917 -13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 42 30.643 -17.799 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 32.011 -17.118 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.127 -17.481 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.319 -16.088 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.633 -15.620 -14.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.346 -15.550 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.128 -16.899 -13.914 1.00 0.00 H new ATOM 648 N LEU A 43 31.512 -22.807 -15.724 1.00 0.00 N ATOM 649 CA LEU A 43 30.630 -23.741 -16.446 1.00 0.00 C ATOM 650 C LEU A 43 30.420 -25.047 -15.661 1.00 0.00 C ATOM 651 O LEU A 43 29.341 -25.638 -15.671 1.00 0.00 O ATOM 652 CB LEU A 43 31.116 -24.144 -17.856 1.00 0.00 C ATOM 653 CG LEU A 43 31.154 -23.021 -18.915 1.00 0.00 C ATOM 654 CD1 LEU A 43 31.633 -23.620 -20.221 1.00 0.00 C ATOM 655 CD2 LEU A 43 29.796 -22.400 -19.205 1.00 0.00 C ATOM 0 H LEU A 43 32.365 -22.536 -16.212 1.00 0.00 H new ATOM 0 HA LEU A 43 29.705 -23.174 -16.550 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.118 -24.562 -17.765 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.470 -24.941 -18.225 1.00 0.00 H new ATOM 0 HG LEU A 43 31.807 -22.245 -18.516 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.668 -22.844 -20.986 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.629 -24.041 -20.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.947 -24.407 -20.534 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.906 -21.620 -19.958 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.116 -23.168 -19.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.391 -21.966 -18.290 1.00 0.00 H new ATOM 667 N GLY A 44 31.470 -25.504 -14.983 1.00 0.00 N ATOM 668 CA GLY A 44 31.336 -26.750 -14.224 1.00 0.00 C ATOM 669 C GLY A 44 32.567 -26.964 -13.351 1.00 0.00 C ATOM 670 O GLY A 44 32.557 -26.676 -12.154 1.00 0.00 O ATOM 0 H GLY A 44 32.385 -25.056 -14.940 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.441 -26.712 -13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.214 -27.590 -14.907 1.00 0.00 H new ATOM 674 N GLN A 45 33.641 -27.469 -13.949 1.00 0.00 N ATOM 675 CA GLN A 45 34.852 -27.704 -13.146 1.00 0.00 C ATOM 676 C GLN A 45 36.087 -28.004 -14.010 1.00 0.00 C ATOM 677 O GLN A 45 37.065 -27.255 -14.003 1.00 0.00 O ATOM 678 CB GLN A 45 34.669 -28.802 -12.077 1.00 0.00 C ATOM 679 CG GLN A 45 35.708 -28.684 -10.951 1.00 0.00 C ATOM 680 CD GLN A 45 35.214 -27.777 -9.828 1.00 0.00 C ATOM 681 OE1 GLN A 45 34.449 -28.186 -8.957 1.00 0.00 O ATOM 682 NE2 GLN A 45 35.655 -26.534 -9.829 1.00 0.00 N ATOM 0 H GLN A 45 33.708 -27.716 -14.936 1.00 0.00 H new ATOM 0 HA GLN A 45 35.025 -26.763 -12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.666 -28.734 -11.655 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.751 -29.783 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 45 35.927 -29.674 -10.551 1.00 0.00 H new ATOM 0 HG3 GLN A 45 36.641 -28.290 -11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 45 36.289 -26.218 -10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 45 35.362 -25.888 -9.096 1.00 0.00 H new ATOM 691 N THR A 46 36.058 -29.121 -14.736 1.00 0.00 N ATOM 692 CA THR A 46 37.232 -29.503 -15.532 1.00 0.00 C ATOM 693 C THR A 46 36.864 -30.586 -16.595 1.00 0.00 C ATOM 694 O THR A 46 35.743 -31.095 -16.577 1.00 0.00 O ATOM 695 CB THR A 46 38.440 -29.902 -14.644 1.00 0.00 C ATOM 696 OG1 THR A 46 39.382 -30.660 -15.387 1.00 0.00 O ATOM 697 CG2 THR A 46 38.021 -30.718 -13.410 1.00 0.00 C ATOM 0 H THR A 46 35.265 -29.761 -14.793 1.00 0.00 H new ATOM 0 HA THR A 46 37.559 -28.622 -16.085 1.00 0.00 H new ATOM 0 HB THR A 46 38.888 -28.968 -14.305 1.00 0.00 H new ATOM 0 HG1 THR A 46 40.137 -30.900 -14.810 1.00 0.00 H new ATOM 0 HG21 THR A 46 38.904 -30.971 -12.824 1.00 0.00 H new ATOM 0 HG22 THR A 46 37.337 -30.129 -12.799 1.00 0.00 H new ATOM 0 HG23 THR A 46 37.524 -31.634 -13.731 1.00 0.00 H new ATOM 705 N TYR A 47 37.768 -30.963 -17.521 1.00 0.00 N ATOM 706 CA TYR A 47 37.321 -31.885 -18.584 1.00 0.00 C ATOM 707 C TYR A 47 37.740 -33.346 -18.320 1.00 0.00 C ATOM 708 O TYR A 47 37.183 -34.002 -17.440 1.00 0.00 O ATOM 709 CB TYR A 47 37.676 -31.393 -20.003 1.00 0.00 C ATOM 710 CG TYR A 47 36.527 -30.637 -20.666 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.419 -31.304 -21.081 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.660 -29.320 -20.966 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.314 -30.597 -21.447 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.577 -28.618 -21.398 1.00 0.00 C ATOM 715 CZ TYR A 47 34.395 -29.251 -21.591 1.00 0.00 C ATOM 716 OH TYR A 47 33.291 -28.533 -21.968 1.00 0.00 O ATOM 0 H TYR A 47 38.744 -30.669 -17.559 1.00 0.00 H new ATOM 0 HA TYR A 47 36.232 -31.880 -18.546 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.551 -30.745 -19.951 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.949 -32.247 -20.622 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.414 -32.383 -21.120 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.618 -28.833 -20.863 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.378 -31.106 -21.622 1.00 0.00 H new ATOM 0 HE2 TYR A 47 35.660 -27.558 -21.587 1.00 0.00 H new ATOM 0 HH TYR A 47 32.640 -28.526 -21.236 1.00 0.00 H new ATOM 726 N THR A 48 38.712 -33.876 -19.076 1.00 0.00 N ATOM 727 CA THR A 48 39.032 -35.303 -18.909 1.00 0.00 C ATOM 728 C THR A 48 40.539 -35.594 -18.813 1.00 0.00 C ATOM 729 O THR A 48 41.009 -36.213 -17.857 1.00 0.00 O ATOM 730 CB THR A 48 38.339 -36.171 -19.980 1.00 0.00 C ATOM 731 OG1 THR A 48 38.827 -37.505 -19.903 1.00 0.00 O ATOM 732 CG2 THR A 48 38.580 -35.633 -21.396 1.00 0.00 C ATOM 0 H THR A 48 39.264 -33.374 -19.772 1.00 0.00 H new ATOM 0 HA THR A 48 38.624 -35.586 -17.939 1.00 0.00 H new ATOM 0 HB THR A 48 37.267 -36.143 -19.783 1.00 0.00 H new ATOM 0 HG1 THR A 48 38.385 -38.055 -20.583 1.00 0.00 H new ATOM 0 HG21 THR A 48 38.075 -36.273 -22.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 38.187 -34.619 -21.472 1.00 0.00 H new ATOM 0 HG23 THR A 48 39.650 -35.624 -21.605 1.00 0.00 H new ATOM 740 N LYS A 49 41.302 -35.152 -19.805 1.00 0.00 N ATOM 741 CA LYS A 49 42.728 -35.509 -19.838 1.00 0.00 C ATOM 742 C LYS A 49 43.637 -34.282 -20.013 1.00 0.00 C ATOM 743 O LYS A 49 43.178 -33.140 -20.068 1.00 0.00 O ATOM 744 CB LYS A 49 43.002 -36.534 -20.958 1.00 0.00 C ATOM 745 CG LYS A 49 42.601 -37.961 -20.566 1.00 0.00 C ATOM 746 CD LYS A 49 42.354 -38.819 -21.813 1.00 0.00 C ATOM 747 CE LYS A 49 40.872 -38.806 -22.193 1.00 0.00 C ATOM 748 NZ LYS A 49 40.702 -39.113 -23.623 1.00 0.00 N ATOM 0 H LYS A 49 40.980 -34.566 -20.575 1.00 0.00 H new ATOM 0 HA LYS A 49 42.965 -35.954 -18.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.456 -36.241 -21.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.062 -36.515 -21.210 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.387 -38.411 -19.959 1.00 0.00 H new ATOM 0 HG3 LYS A 49 41.700 -37.935 -19.953 1.00 0.00 H new ATOM 0 HD2 LYS A 49 42.951 -38.443 -22.644 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.678 -39.843 -21.626 1.00 0.00 H new ATOM 0 HE2 LYS A 49 40.330 -39.536 -21.592 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.443 -37.829 -21.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 39.740 -38.855 -23.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 41.394 -38.571 -24.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 40.853 -40.130 -23.780 1.00 0.00 H new ATOM 762 N ARG A 50 44.946 -34.516 -20.102 1.00 0.00 N ATOM 763 CA ARG A 50 45.852 -33.412 -20.478 1.00 0.00 C ATOM 764 C ARG A 50 45.597 -32.887 -21.911 1.00 0.00 C ATOM 765 O ARG A 50 46.053 -31.809 -22.295 1.00 0.00 O ATOM 766 CB ARG A 50 47.330 -33.797 -20.309 1.00 0.00 C ATOM 767 CG ARG A 50 47.782 -33.694 -18.845 1.00 0.00 C ATOM 768 CD ARG A 50 48.407 -32.326 -18.547 1.00 0.00 C ATOM 769 NE ARG A 50 49.830 -32.325 -18.924 1.00 0.00 N ATOM 770 CZ ARG A 50 50.655 -31.432 -18.384 1.00 0.00 C ATOM 771 NH1 ARG A 50 50.196 -30.311 -17.857 1.00 0.00 N ATOM 772 NH2 ARG A 50 51.953 -31.659 -18.394 1.00 0.00 N ATOM 0 H ARG A 50 45.396 -35.415 -19.929 1.00 0.00 H new ATOM 0 HA ARG A 50 45.626 -32.601 -19.786 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.484 -34.815 -20.666 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.948 -33.146 -20.927 1.00 0.00 H new ATOM 0 HG2 ARG A 50 46.928 -33.857 -18.187 1.00 0.00 H new ATOM 0 HG3 ARG A 50 48.505 -34.481 -18.630 1.00 0.00 H new ATOM 0 HD2 ARG A 50 47.877 -31.548 -19.097 1.00 0.00 H new ATOM 0 HD3 ARG A 50 48.304 -32.094 -17.487 1.00 0.00 H new ATOM 0 HE ARG A 50 50.182 -33.006 -19.597 1.00 0.00 H new ATOM 0 HH11 ARG A 50 49.194 -30.119 -17.860 1.00 0.00 H new ATOM 0 HH12 ARG A 50 50.843 -29.638 -17.447 1.00 0.00 H new ATOM 0 HH21 ARG A 50 52.318 -32.514 -18.814 1.00 0.00 H new ATOM 0 HH22 ARG A 50 52.593 -30.980 -17.982 1.00 0.00 H new ATOM 786 N GLU A 51 44.877 -33.667 -22.712 1.00 0.00 N ATOM 787 CA GLU A 51 44.496 -33.182 -24.046 1.00 0.00 C ATOM 788 C GLU A 51 43.393 -32.096 -24.003 1.00 0.00 C ATOM 789 O GLU A 51 43.310 -31.233 -24.878 1.00 0.00 O ATOM 790 CB GLU A 51 44.201 -34.329 -25.032 1.00 0.00 C ATOM 791 CG GLU A 51 43.625 -35.574 -24.336 1.00 0.00 C ATOM 792 CD GLU A 51 43.099 -36.600 -25.330 1.00 0.00 C ATOM 793 OE1 GLU A 51 43.707 -36.768 -26.408 1.00 0.00 O ATOM 794 OE2 GLU A 51 42.083 -37.261 -25.024 1.00 0.00 O ATOM 0 H GLU A 51 44.552 -34.605 -22.478 1.00 0.00 H new ATOM 0 HA GLU A 51 45.373 -32.675 -24.448 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.497 -33.981 -25.788 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.119 -34.601 -25.553 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.397 -36.032 -23.719 1.00 0.00 H new ATOM 0 HG3 GLU A 51 42.819 -35.273 -23.667 1.00 0.00 H new ATOM 801 N THR A 52 42.541 -32.106 -22.979 1.00 0.00 N ATOM 802 CA THR A 52 41.681 -30.932 -22.785 1.00 0.00 C ATOM 803 C THR A 52 42.488 -29.725 -22.257 1.00 0.00 C ATOM 804 O THR A 52 42.148 -28.564 -22.477 1.00 0.00 O ATOM 805 CB THR A 52 40.422 -31.209 -21.947 1.00 0.00 C ATOM 806 OG1 THR A 52 40.260 -32.606 -21.745 1.00 0.00 O ATOM 807 CG2 THR A 52 39.177 -30.700 -22.668 1.00 0.00 C ATOM 0 H THR A 52 42.426 -32.863 -22.305 1.00 0.00 H new ATOM 0 HA THR A 52 41.302 -30.672 -23.773 1.00 0.00 H new ATOM 0 HB THR A 52 40.543 -30.697 -20.992 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.018 -33.033 -22.593 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.295 -30.905 -22.060 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.264 -29.626 -22.831 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.081 -31.206 -23.629 1.00 0.00 H new ATOM 815 N GLU A 53 43.581 -29.991 -21.550 1.00 0.00 N ATOM 816 CA GLU A 53 44.574 -28.919 -21.348 1.00 0.00 C ATOM 817 C GLU A 53 45.054 -28.361 -22.704 1.00 0.00 C ATOM 818 O GLU A 53 45.302 -27.165 -22.862 1.00 0.00 O ATOM 819 CB GLU A 53 45.768 -29.356 -20.491 1.00 0.00 C ATOM 820 CG GLU A 53 45.705 -28.739 -19.088 1.00 0.00 C ATOM 821 CD GLU A 53 46.749 -29.348 -18.172 1.00 0.00 C ATOM 822 OE1 GLU A 53 47.939 -28.987 -18.291 1.00 0.00 O ATOM 823 OE2 GLU A 53 46.387 -30.199 -17.330 1.00 0.00 O ATOM 0 H GLU A 53 43.805 -30.890 -21.122 1.00 0.00 H new ATOM 0 HA GLU A 53 44.068 -28.129 -20.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.783 -30.443 -20.412 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.696 -29.059 -20.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.860 -27.662 -19.154 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.712 -28.893 -18.665 1.00 0.00 H new ATOM 830 N ALA A 54 45.189 -29.255 -23.686 1.00 0.00 N ATOM 831 CA ALA A 54 45.372 -28.800 -25.077 1.00 0.00 C ATOM 832 C ALA A 54 44.270 -27.835 -25.519 1.00 0.00 C ATOM 833 O ALA A 54 44.541 -26.816 -26.150 1.00 0.00 O ATOM 834 CB ALA A 54 45.423 -29.945 -26.092 1.00 0.00 C ATOM 0 H ALA A 54 45.177 -30.267 -23.558 1.00 0.00 H new ATOM 0 HA ALA A 54 46.337 -28.293 -25.067 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.559 -29.537 -27.094 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.256 -30.606 -25.853 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.490 -30.508 -26.053 1.00 0.00 H new ATOM 840 N ILE A 55 43.012 -28.178 -25.216 1.00 0.00 N ATOM 841 CA ILE A 55 41.913 -27.196 -25.440 1.00 0.00 C ATOM 842 C ILE A 55 42.355 -25.801 -24.954 1.00 0.00 C ATOM 843 O ILE A 55 42.435 -24.825 -25.709 1.00 0.00 O ATOM 844 CB ILE A 55 40.545 -27.477 -24.721 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.721 -28.598 -25.307 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.696 -26.226 -24.741 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.341 -28.737 -24.660 1.00 0.00 C ATOM 0 H ILE A 55 42.725 -29.079 -24.833 1.00 0.00 H new ATOM 0 HA ILE A 55 41.735 -27.274 -26.513 1.00 0.00 H new ATOM 0 HB ILE A 55 40.822 -27.786 -23.713 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.598 -28.428 -26.377 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.264 -29.536 -25.194 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.747 -26.422 -24.242 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.219 -25.423 -24.222 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.509 -25.930 -25.773 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.801 -29.561 -25.127 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.457 -28.937 -23.595 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.780 -27.812 -24.796 1.00 0.00 H new ATOM 859 N MET A 56 42.641 -25.746 -23.659 1.00 0.00 N ATOM 860 CA MET A 56 42.956 -24.464 -23.016 1.00 0.00 C ATOM 861 C MET A 56 44.142 -23.716 -23.629 1.00 0.00 C ATOM 862 O MET A 56 44.122 -22.496 -23.790 1.00 0.00 O ATOM 863 CB MET A 56 43.182 -24.679 -21.518 1.00 0.00 C ATOM 864 CG MET A 56 41.922 -25.243 -20.858 1.00 0.00 C ATOM 865 SD MET A 56 42.342 -26.664 -19.834 1.00 0.00 S ATOM 866 CE MET A 56 40.797 -27.586 -19.961 1.00 0.00 C ATOM 0 H MET A 56 42.663 -26.555 -23.038 1.00 0.00 H new ATOM 0 HA MET A 56 42.091 -23.823 -23.188 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.016 -25.364 -21.365 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.454 -23.735 -21.047 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.446 -24.474 -20.249 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.202 -25.536 -21.622 1.00 0.00 H new ATOM 0 HE1 MET A 56 41.015 -28.648 -20.074 1.00 0.00 H new ATOM 0 HE2 MET A 56 40.206 -27.431 -19.059 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.235 -27.237 -20.827 1.00 0.00 H new ATOM 876 N LYS A 57 45.186 -24.456 -23.970 1.00 0.00 N ATOM 877 CA LYS A 57 46.366 -23.811 -24.558 1.00 0.00 C ATOM 878 C LYS A 57 46.236 -23.520 -26.068 1.00 0.00 C ATOM 879 O LYS A 57 46.847 -22.586 -26.589 1.00 0.00 O ATOM 880 CB LYS A 57 47.648 -24.601 -24.240 1.00 0.00 C ATOM 881 CG LYS A 57 48.936 -23.906 -24.720 1.00 0.00 C ATOM 882 CD LYS A 57 49.124 -22.498 -24.133 1.00 0.00 C ATOM 883 CE LYS A 57 49.184 -22.519 -22.602 1.00 0.00 C ATOM 884 NZ LYS A 57 49.455 -21.159 -22.099 1.00 0.00 N ATOM 0 H LYS A 57 45.249 -25.468 -23.858 1.00 0.00 H new ATOM 0 HA LYS A 57 46.437 -22.833 -24.083 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.710 -24.759 -23.163 1.00 0.00 H new ATOM 0 HB3 LYS A 57 47.582 -25.586 -24.703 1.00 0.00 H new ATOM 0 HG2 LYS A 57 49.794 -24.522 -24.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 48.920 -23.839 -25.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 50.042 -22.061 -24.526 1.00 0.00 H new ATOM 0 HD3 LYS A 57 48.303 -21.858 -24.455 1.00 0.00 H new ATOM 0 HE2 LYS A 57 48.242 -22.887 -22.196 1.00 0.00 H new ATOM 0 HE3 LYS A 57 49.964 -23.203 -22.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 49.495 -21.175 -21.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 50.365 -20.824 -22.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.696 -20.518 -22.406 1.00 0.00 H new ATOM 898 N GLU A 58 45.419 -24.297 -26.771 1.00 0.00 N ATOM 899 CA GLU A 58 45.314 -24.108 -28.226 1.00 0.00 C ATOM 900 C GLU A 58 44.312 -23.022 -28.662 1.00 0.00 C ATOM 901 O GLU A 58 44.447 -22.450 -29.745 1.00 0.00 O ATOM 902 CB GLU A 58 45.064 -25.434 -28.965 1.00 0.00 C ATOM 903 CG GLU A 58 43.579 -25.818 -28.973 1.00 0.00 C ATOM 904 CD GLU A 58 43.350 -27.156 -29.660 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.527 -27.237 -30.895 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.982 -28.131 -28.969 1.00 0.00 O ATOM 0 H GLU A 58 44.837 -25.039 -26.382 1.00 0.00 H new ATOM 0 HA GLU A 58 46.292 -23.731 -28.524 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.422 -25.350 -29.991 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.641 -26.228 -28.490 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.210 -25.866 -27.949 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.005 -25.044 -29.482 1.00 0.00 H new ATOM 913 N ALA A 59 43.293 -22.739 -27.844 1.00 0.00 N ATOM 914 CA ALA A 59 42.312 -21.719 -28.240 1.00 0.00 C ATOM 915 C ALA A 59 42.968 -20.377 -28.588 1.00 0.00 C ATOM 916 O ALA A 59 43.154 -20.031 -29.754 1.00 0.00 O ATOM 917 CB ALA A 59 41.235 -21.544 -27.159 1.00 0.00 C ATOM 0 H ALA A 59 43.127 -23.180 -26.939 1.00 0.00 H new ATOM 0 HA ALA A 59 41.832 -22.078 -29.150 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.521 -20.784 -27.476 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.715 -22.490 -27.007 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.704 -21.234 -26.225 1.00 0.00 H new ATOM 923 N ARG A 60 43.314 -19.613 -27.566 1.00 0.00 N ATOM 924 CA ARG A 60 44.109 -18.389 -27.841 1.00 0.00 C ATOM 925 C ARG A 60 45.590 -18.666 -28.209 1.00 0.00 C ATOM 926 O ARG A 60 45.917 -18.763 -29.392 1.00 0.00 O ATOM 927 CB ARG A 60 43.871 -17.338 -26.755 1.00 0.00 C ATOM 928 CG ARG A 60 44.833 -16.137 -26.811 1.00 0.00 C ATOM 929 CD ARG A 60 44.164 -14.895 -26.204 1.00 0.00 C ATOM 930 NE ARG A 60 44.771 -13.666 -26.728 1.00 0.00 N ATOM 931 CZ ARG A 60 44.490 -12.512 -26.135 1.00 0.00 C ATOM 932 NH1 ARG A 60 44.460 -12.421 -24.819 1.00 0.00 N ATOM 933 NH2 ARG A 60 44.265 -11.442 -26.865 1.00 0.00 N ATOM 0 H ARG A 60 43.083 -19.787 -26.588 1.00 0.00 H new ATOM 0 HA ARG A 60 43.738 -17.945 -28.765 1.00 0.00 H new ATOM 0 HB2 ARG A 60 42.848 -16.972 -26.838 1.00 0.00 H new ATOM 0 HB3 ARG A 60 43.961 -17.815 -25.779 1.00 0.00 H new ATOM 0 HG2 ARG A 60 45.748 -16.369 -26.267 1.00 0.00 H new ATOM 0 HG3 ARG A 60 45.118 -15.938 -27.844 1.00 0.00 H new ATOM 0 HD2 ARG A 60 43.098 -14.904 -26.430 1.00 0.00 H new ATOM 0 HD3 ARG A 60 44.260 -14.919 -25.118 1.00 0.00 H new ATOM 0 HE ARG A 60 45.397 -13.698 -27.533 1.00 0.00 H new ATOM 0 HH11 ARG A 60 44.654 -13.243 -24.246 1.00 0.00 H new ATOM 0 HH12 ARG A 60 44.243 -11.529 -24.374 1.00 0.00 H new ATOM 0 HH21 ARG A 60 44.307 -11.501 -27.882 1.00 0.00 H new ATOM 0 HH22 ARG A 60 44.049 -10.553 -26.414 1.00 0.00 H new ATOM 1031 N LYS A 67 45.375 -13.290 -30.055 1.00 0.00 N ATOM 1032 CA LYS A 67 44.366 -14.224 -30.581 1.00 0.00 C ATOM 1033 C LYS A 67 43.249 -14.581 -29.607 1.00 0.00 C ATOM 1034 O LYS A 67 43.248 -15.636 -28.981 1.00 0.00 O ATOM 1035 CB LYS A 67 45.025 -15.478 -31.180 1.00 0.00 C ATOM 1036 CG LYS A 67 44.056 -16.262 -32.078 1.00 0.00 C ATOM 1037 CD LYS A 67 44.346 -17.764 -32.005 1.00 0.00 C ATOM 1038 CE LYS A 67 43.352 -18.562 -32.851 1.00 0.00 C ATOM 1039 NZ LYS A 67 43.393 -19.982 -32.458 1.00 0.00 N ATOM 0 HA LYS A 67 43.864 -13.678 -31.380 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.901 -15.186 -31.759 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.376 -16.123 -30.375 1.00 0.00 H new ATOM 0 HG2 LYS A 67 43.029 -16.069 -31.768 1.00 0.00 H new ATOM 0 HG3 LYS A 67 44.148 -15.918 -33.108 1.00 0.00 H new ATOM 0 HD2 LYS A 67 45.361 -17.958 -32.352 1.00 0.00 H new ATOM 0 HD3 LYS A 67 44.294 -18.097 -30.968 1.00 0.00 H new ATOM 0 HE2 LYS A 67 42.345 -18.166 -32.716 1.00 0.00 H new ATOM 0 HE3 LYS A 67 43.596 -18.460 -33.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 42.550 -20.468 -32.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 44.247 -20.426 -32.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 43.410 -20.055 -31.421 1.00 0.00 H new ATOM 1053 N ASN A 68 42.217 -13.756 -29.572 1.00 0.00 N ATOM 1054 CA ASN A 68 41.065 -14.137 -28.754 1.00 0.00 C ATOM 1055 C ASN A 68 40.114 -14.947 -29.630 1.00 0.00 C ATOM 1056 O ASN A 68 40.089 -14.789 -30.853 1.00 0.00 O ATOM 1057 CB ASN A 68 40.290 -12.984 -28.091 1.00 0.00 C ATOM 1058 CG ASN A 68 41.088 -11.694 -27.874 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.377 -11.304 -26.746 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.394 -10.977 -28.940 1.00 0.00 N ATOM 0 H ASN A 68 42.144 -12.867 -30.067 1.00 0.00 H new ATOM 0 HA ASN A 68 41.469 -14.707 -27.917 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.420 -12.754 -28.705 1.00 0.00 H new ATOM 0 HB3 ASN A 68 39.917 -13.327 -27.126 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.877 -10.085 -28.833 1.00 0.00 H new ATOM 0 HD22 ASN A 68 41.147 -11.315 -29.870 1.00 0.00 H new ATOM 1067 N ILE A 69 39.316 -15.816 -29.033 1.00 0.00 N ATOM 1068 CA ILE A 69 38.463 -16.650 -29.884 1.00 0.00 C ATOM 1069 C ILE A 69 37.073 -16.069 -30.130 1.00 0.00 C ATOM 1070 O ILE A 69 36.258 -15.867 -29.229 1.00 0.00 O ATOM 1071 CB ILE A 69 38.424 -18.134 -29.536 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.548 -18.432 -28.304 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.854 -18.661 -29.344 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.744 -19.862 -27.795 1.00 0.00 C ATOM 0 H ILE A 69 39.235 -15.964 -28.027 1.00 0.00 H new ATOM 0 HA ILE A 69 38.985 -16.615 -30.840 1.00 0.00 H new ATOM 0 HB ILE A 69 37.959 -18.658 -30.371 1.00 0.00 H new ATOM 0 HG12 ILE A 69 37.789 -17.727 -27.508 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.499 -18.278 -28.559 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.821 -19.722 -29.095 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.420 -18.522 -30.265 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.338 -18.114 -28.535 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.108 -20.029 -26.926 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.477 -20.568 -28.581 1.00 0.00 H new ATOM 0 HD13 ILE A 69 38.787 -20.009 -27.515 1.00 0.00 H new ATOM 1086 N GLY A 70 36.829 -15.818 -31.400 1.00 0.00 N ATOM 1087 CA GLY A 70 35.566 -15.187 -31.791 1.00 0.00 C ATOM 1088 C GLY A 70 34.493 -16.186 -32.227 1.00 0.00 C ATOM 1089 O GLY A 70 34.437 -17.314 -31.737 1.00 0.00 O ATOM 0 H GLY A 70 37.465 -16.031 -32.169 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.187 -14.602 -30.953 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.755 -14.490 -32.607 1.00 0.00 H new ATOM 1093 N PRO A 71 33.575 -15.712 -33.089 1.00 0.00 N ATOM 1094 CA PRO A 71 32.346 -16.467 -33.403 1.00 0.00 C ATOM 1095 C PRO A 71 32.421 -17.994 -33.254 1.00 0.00 C ATOM 1096 O PRO A 71 31.686 -18.588 -32.464 1.00 0.00 O ATOM 1097 CB PRO A 71 31.987 -16.067 -34.842 1.00 0.00 C ATOM 1098 CG PRO A 71 32.995 -15.013 -35.301 1.00 0.00 C ATOM 1099 CD PRO A 71 34.012 -14.836 -34.178 1.00 0.00 C ATOM 0 HA PRO A 71 31.586 -16.206 -32.667 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.018 -16.936 -35.499 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.973 -15.670 -34.886 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.489 -15.329 -36.220 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.493 -14.070 -35.517 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.014 -15.103 -34.514 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.053 -13.797 -33.850 1.00 0.00 H new ATOM 1107 N GLU A 72 33.289 -18.642 -34.019 1.00 0.00 N ATOM 1108 CA GLU A 72 33.219 -20.112 -34.074 1.00 0.00 C ATOM 1109 C GLU A 72 34.251 -20.923 -33.267 1.00 0.00 C ATOM 1110 O GLU A 72 33.902 -21.973 -32.733 1.00 0.00 O ATOM 1111 CB GLU A 72 33.014 -20.649 -35.495 1.00 0.00 C ATOM 1112 CG GLU A 72 34.290 -20.602 -36.348 1.00 0.00 C ATOM 1113 CD GLU A 72 34.367 -21.804 -37.279 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.338 -22.954 -36.785 1.00 0.00 O ATOM 1115 OE2 GLU A 72 34.458 -21.607 -38.510 1.00 0.00 O ATOM 0 H GLU A 72 34.018 -18.209 -34.586 1.00 0.00 H new ATOM 0 HA GLU A 72 32.310 -20.301 -33.504 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.659 -21.678 -35.440 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.234 -20.068 -35.987 1.00 0.00 H new ATOM 0 HG2 GLU A 72 34.307 -19.682 -36.933 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.165 -20.583 -35.699 1.00 0.00 H new ATOM 1122 N GLU A 73 35.517 -20.489 -33.178 1.00 0.00 N ATOM 1123 CA GLU A 73 36.529 -21.346 -32.530 1.00 0.00 C ATOM 1124 C GLU A 73 36.125 -21.912 -31.161 1.00 0.00 C ATOM 1125 O GLU A 73 36.509 -23.021 -30.794 1.00 0.00 O ATOM 1126 CB GLU A 73 37.901 -20.649 -32.497 1.00 0.00 C ATOM 1127 CG GLU A 73 38.936 -21.353 -31.595 1.00 0.00 C ATOM 1128 CD GLU A 73 40.348 -20.950 -31.992 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.581 -19.750 -32.252 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.233 -21.829 -32.048 1.00 0.00 O ATOM 0 H GLU A 73 35.857 -19.593 -33.527 1.00 0.00 H new ATOM 0 HA GLU A 73 36.605 -22.231 -33.161 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.295 -20.595 -33.512 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.769 -19.624 -32.151 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.756 -21.092 -30.552 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.823 -22.434 -31.677 1.00 0.00 H new ATOM 1137 N TRP A 74 35.319 -21.174 -30.416 1.00 0.00 N ATOM 1138 CA TRP A 74 34.871 -21.692 -29.123 1.00 0.00 C ATOM 1139 C TRP A 74 33.896 -22.877 -29.243 1.00 0.00 C ATOM 1140 O TRP A 74 34.080 -23.905 -28.589 1.00 0.00 O ATOM 1141 CB TRP A 74 34.412 -20.524 -28.230 1.00 0.00 C ATOM 1142 CG TRP A 74 33.854 -20.909 -26.865 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.521 -20.572 -26.625 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.558 -20.479 -25.764 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.402 -19.776 -25.474 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.685 -19.753 -24.954 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.524 -21.254 -25.180 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.879 -19.716 -23.620 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.698 -21.193 -23.832 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.853 -20.466 -23.064 1.00 0.00 C ATOM 0 H TRP A 74 34.969 -20.249 -30.666 1.00 0.00 H new ATOM 0 HA TRP A 74 35.714 -22.154 -28.608 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.258 -19.853 -28.079 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.649 -19.960 -28.767 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.691 -20.882 -27.243 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.566 -19.321 -25.107 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.140 -21.906 -25.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.257 -19.088 -22.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.516 -21.728 -23.372 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.960 -20.487 -21.990 1.00 0.00 H new ATOM 1161 N LEU A 75 32.900 -22.789 -30.127 1.00 0.00 N ATOM 1162 CA LEU A 75 32.034 -23.967 -30.328 1.00 0.00 C ATOM 1163 C LEU A 75 32.614 -25.021 -31.277 1.00 0.00 C ATOM 1164 O LEU A 75 32.321 -26.205 -31.130 1.00 0.00 O ATOM 1165 CB LEU A 75 30.586 -23.671 -30.725 1.00 0.00 C ATOM 1166 CG LEU A 75 29.605 -24.428 -29.811 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.211 -23.999 -30.108 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.561 -25.942 -30.042 1.00 0.00 C ATOM 0 H LEU A 75 32.675 -21.968 -30.689 1.00 0.00 H new ATOM 0 HA LEU A 75 32.008 -24.380 -29.319 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.398 -22.599 -30.660 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.422 -23.961 -31.763 1.00 0.00 H new ATOM 0 HG LEU A 75 29.955 -24.206 -28.803 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.519 -24.536 -29.460 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.115 -22.928 -29.933 1.00 0.00 H new ATOM 0 HD13 LEU A 75 27.977 -24.218 -31.150 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.845 -26.394 -29.356 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.258 -26.145 -31.069 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.550 -26.366 -29.865 1.00 0.00 H new ATOM 1180 N THR A 76 33.404 -24.641 -32.280 1.00 0.00 N ATOM 1181 CA THR A 76 34.039 -25.686 -33.090 1.00 0.00 C ATOM 1182 C THR A 76 35.088 -26.450 -32.283 1.00 0.00 C ATOM 1183 O THR A 76 35.217 -27.668 -32.402 1.00 0.00 O ATOM 1184 CB THR A 76 34.596 -25.240 -34.445 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.532 -24.786 -35.272 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.638 -24.132 -34.325 1.00 0.00 C ATOM 0 H THR A 76 33.613 -23.678 -32.544 1.00 0.00 H new ATOM 0 HA THR A 76 33.219 -26.355 -33.350 1.00 0.00 H new ATOM 0 HB THR A 76 35.089 -26.107 -34.884 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.896 -24.253 -36.010 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.995 -23.859 -35.318 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.189 -23.260 -33.849 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.475 -24.484 -33.722 1.00 0.00 H new ATOM 1194 N LEU A 77 35.841 -25.739 -31.447 1.00 0.00 N ATOM 1195 CA LEU A 77 36.723 -26.438 -30.515 1.00 0.00 C ATOM 1196 C LEU A 77 35.942 -27.340 -29.550 1.00 0.00 C ATOM 1197 O LEU A 77 36.314 -28.489 -29.307 1.00 0.00 O ATOM 1198 CB LEU A 77 37.629 -25.467 -29.751 1.00 0.00 C ATOM 1199 CG LEU A 77 38.537 -26.201 -28.761 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.886 -25.511 -28.682 1.00 0.00 C ATOM 1201 CD2 LEU A 77 37.919 -26.190 -27.369 1.00 0.00 C ATOM 0 H LEU A 77 35.861 -24.721 -31.394 1.00 0.00 H new ATOM 0 HA LEU A 77 37.364 -27.082 -31.117 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.240 -24.906 -30.458 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.016 -24.743 -29.215 1.00 0.00 H new ATOM 0 HG LEU A 77 38.657 -27.227 -29.109 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.525 -26.041 -27.975 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.354 -25.513 -29.666 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.750 -24.483 -28.348 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.575 -26.715 -26.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 37.790 -25.160 -27.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 36.949 -26.687 -27.398 1.00 0.00 H new ATOM 1213 N CYS A 78 34.838 -26.825 -29.006 1.00 0.00 N ATOM 1214 CA CYS A 78 34.042 -27.659 -28.093 1.00 0.00 C ATOM 1215 C CYS A 78 33.355 -28.801 -28.880 1.00 0.00 C ATOM 1216 O CYS A 78 33.107 -29.867 -28.324 1.00 0.00 O ATOM 1217 CB CYS A 78 32.991 -26.674 -27.561 1.00 0.00 C ATOM 1218 SG CYS A 78 33.546 -26.032 -25.949 1.00 0.00 S ATOM 0 H CYS A 78 34.484 -25.882 -29.168 1.00 0.00 H new ATOM 0 HA CYS A 78 34.631 -28.132 -27.307 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.852 -25.854 -28.266 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.027 -27.172 -27.457 1.00 0.00 H new ATOM 0 HG CYS A 78 32.540 -25.995 -25.127 1.00 0.00 H new ATOM 1224 N SER A 79 33.065 -28.622 -30.174 1.00 0.00 N ATOM 1225 CA SER A 79 32.550 -29.765 -30.946 1.00 0.00 C ATOM 1226 C SER A 79 33.634 -30.824 -31.205 1.00 0.00 C ATOM 1227 O SER A 79 33.417 -32.024 -31.026 1.00 0.00 O ATOM 1228 CB SER A 79 31.870 -29.339 -32.253 1.00 0.00 C ATOM 1229 OG SER A 79 32.837 -28.842 -33.170 1.00 0.00 O ATOM 0 H SER A 79 33.169 -27.748 -30.689 1.00 0.00 H new ATOM 0 HA SER A 79 31.782 -30.224 -30.323 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.345 -30.187 -32.691 1.00 0.00 H new ATOM 0 HB3 SER A 79 31.123 -28.572 -32.050 1.00 0.00 H new ATOM 0 HG SER A 79 33.574 -28.427 -32.675 1.00 0.00 H new ATOM 1235 N LYS A 80 34.822 -30.370 -31.605 1.00 0.00 N ATOM 1236 CA LYS A 80 35.944 -31.301 -31.795 1.00 0.00 C ATOM 1237 C LYS A 80 36.345 -32.046 -30.509 1.00 0.00 C ATOM 1238 O LYS A 80 36.823 -33.180 -30.548 1.00 0.00 O ATOM 1239 CB LYS A 80 37.180 -30.597 -32.375 1.00 0.00 C ATOM 1240 CG LYS A 80 36.902 -29.964 -33.746 1.00 0.00 C ATOM 1241 CD LYS A 80 37.792 -28.734 -33.957 1.00 0.00 C ATOM 1242 CE LYS A 80 37.432 -27.992 -35.247 1.00 0.00 C ATOM 1243 NZ LYS A 80 38.003 -28.691 -36.413 1.00 0.00 N ATOM 0 H LYS A 80 35.034 -29.392 -31.800 1.00 0.00 H new ATOM 0 HA LYS A 80 35.577 -32.039 -32.508 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.514 -29.825 -31.682 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.994 -31.316 -32.468 1.00 0.00 H new ATOM 0 HG2 LYS A 80 37.086 -30.694 -34.535 1.00 0.00 H new ATOM 0 HG3 LYS A 80 35.853 -29.678 -33.815 1.00 0.00 H new ATOM 0 HD2 LYS A 80 37.688 -28.059 -33.107 1.00 0.00 H new ATOM 0 HD3 LYS A 80 38.837 -29.042 -33.993 1.00 0.00 H new ATOM 0 HE2 LYS A 80 36.349 -27.927 -35.347 1.00 0.00 H new ATOM 0 HE3 LYS A 80 37.810 -26.971 -35.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 37.752 -28.178 -37.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 39.038 -28.731 -36.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 37.622 -29.658 -36.459 1.00 0.00 H new ATOM 1257 N TRP A 81 36.170 -31.398 -29.362 1.00 0.00 N ATOM 1258 CA TRP A 81 36.476 -32.076 -28.095 1.00 0.00 C ATOM 1259 C TRP A 81 35.307 -32.911 -27.558 1.00 0.00 C ATOM 1260 O TRP A 81 35.487 -34.006 -27.026 1.00 0.00 O ATOM 1261 CB TRP A 81 36.968 -31.085 -27.029 1.00 0.00 C ATOM 1262 CG TRP A 81 38.480 -31.010 -27.009 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.250 -30.758 -28.138 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.243 -31.735 -26.146 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.534 -31.323 -27.997 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.490 -31.925 -26.731 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.715 -32.695 -25.330 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.179 -33.059 -26.450 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.481 -33.744 -24.960 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.734 -33.881 -25.460 1.00 0.00 C ATOM 0 H TRP A 81 35.831 -30.440 -29.276 1.00 0.00 H new ATOM 0 HA TRP A 81 37.283 -32.773 -28.320 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.555 -30.096 -27.229 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.603 -31.391 -26.048 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.912 -30.206 -29.003 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.310 -31.300 -28.658 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.695 -32.616 -24.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.071 -33.307 -27.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.095 -34.475 -24.265 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.385 -34.649 -25.069 1.00 0.00 H new ATOM 1281 N VAL A 82 34.099 -32.383 -27.697 1.00 0.00 N ATOM 1282 CA VAL A 82 32.916 -33.121 -27.211 1.00 0.00 C ATOM 1283 C VAL A 82 32.613 -34.403 -28.015 1.00 0.00 C ATOM 1284 O VAL A 82 32.008 -35.342 -27.497 1.00 0.00 O ATOM 1285 CB VAL A 82 31.677 -32.208 -27.073 1.00 0.00 C ATOM 1286 CG1 VAL A 82 30.413 -33.010 -26.741 1.00 0.00 C ATOM 1287 CG2 VAL A 82 31.902 -31.177 -25.960 1.00 0.00 C ATOM 0 H VAL A 82 33.903 -31.478 -28.125 1.00 0.00 H new ATOM 0 HA VAL A 82 33.175 -33.463 -26.209 1.00 0.00 H new ATOM 0 HB VAL A 82 31.537 -31.711 -28.033 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.564 -32.332 -26.652 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.220 -33.731 -27.536 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.555 -33.539 -25.798 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.023 -30.539 -25.872 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.072 -31.693 -25.015 1.00 0.00 H new ATOM 0 HG23 VAL A 82 32.771 -30.565 -26.201 1.00 0.00 H new