USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 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 168:sc= -6.65! USER MOD Set 1.2: A 78 CYS SG : rot 164:sc= -6.61! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 174:sc= -0.88 (180deg=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -144:sc= 0.944 (180deg=-0.0565) USER MOD Single : A 29 ASN : amide:sc= 0.301 K(o=0.3,f=-0.68) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -31:sc= 0.354! USER MOD Single : A 37 MET CE :methyl 175:sc= -0.205 (180deg=-0.285) USER MOD Single : A 39 MET CE :methyl -143:sc= -1.22 (180deg=-3.88!) USER MOD Single : A 41 THR OG1 : rot 73:sc= 0.552 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 0.976 (180deg=0.401) USER MOD Single : A 45 GLN : amide:sc= 1.14 K(o=1.1,f=-0.035) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 47 TYR OH : rot 67:sc= 0.855 USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.63 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.01) USER MOD Single : A 52 THR OG1 : rot -120:sc= 0.026 USER MOD Single : A 56 MET CE :methyl 154:sc= -0.437 (180deg=-2.37!) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0.586 (180deg=0.543) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.5) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.471 -30.771 -24.087 1.00 0.00 N ATOM 159 CA GLU A 12 27.694 -29.992 -23.841 1.00 0.00 C ATOM 160 C GLU A 12 27.827 -28.803 -24.810 1.00 0.00 C ATOM 161 O GLU A 12 28.389 -27.758 -24.480 1.00 0.00 O ATOM 162 CB GLU A 12 28.949 -30.872 -23.885 1.00 0.00 C ATOM 163 CG GLU A 12 30.121 -30.229 -23.130 1.00 0.00 C ATOM 164 CD GLU A 12 30.817 -31.227 -22.216 1.00 0.00 C ATOM 165 OE1 GLU A 12 30.925 -32.417 -22.583 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.279 -30.818 -21.129 1.00 0.00 O ATOM 0 HA GLU A 12 27.605 -29.587 -22.833 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.726 -31.846 -23.449 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.236 -31.045 -24.922 1.00 0.00 H new ATOM 0 HG2 GLU A 12 30.839 -29.829 -23.846 1.00 0.00 H new ATOM 0 HG3 GLU A 12 29.756 -29.388 -22.540 1.00 0.00 H new ATOM 173 N LYS A 13 27.264 -28.954 -26.010 1.00 0.00 N ATOM 174 CA LYS A 13 27.218 -27.824 -26.929 1.00 0.00 C ATOM 175 C LYS A 13 26.276 -26.702 -26.481 1.00 0.00 C ATOM 176 O LYS A 13 26.538 -25.530 -26.756 1.00 0.00 O ATOM 177 CB LYS A 13 26.962 -28.270 -28.369 1.00 0.00 C ATOM 178 CG LYS A 13 25.484 -28.537 -28.670 1.00 0.00 C ATOM 179 CD LYS A 13 24.805 -27.292 -29.255 1.00 0.00 C ATOM 180 CE LYS A 13 23.942 -27.651 -30.467 1.00 0.00 C ATOM 181 NZ LYS A 13 24.786 -27.809 -31.667 1.00 0.00 N ATOM 0 H LYS A 13 26.848 -29.818 -26.357 1.00 0.00 H new ATOM 0 HA LYS A 13 28.213 -27.380 -26.904 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.331 -27.503 -29.050 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.535 -29.176 -28.568 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.397 -29.366 -29.372 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.972 -28.838 -27.756 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.187 -26.819 -28.492 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.562 -26.565 -29.547 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.397 -28.575 -30.273 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.199 -26.872 -30.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.188 -28.053 -32.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.287 -26.918 -31.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.479 -28.568 -31.507 1.00 0.00 H new ATOM 195 N ASP A 14 25.156 -27.024 -25.815 1.00 0.00 N ATOM 196 CA ASP A 14 24.393 -25.920 -25.203 1.00 0.00 C ATOM 197 C ASP A 14 25.240 -25.180 -24.174 1.00 0.00 C ATOM 198 O ASP A 14 25.256 -23.951 -24.123 1.00 0.00 O ATOM 199 CB ASP A 14 23.032 -26.272 -24.591 1.00 0.00 C ATOM 200 CG ASP A 14 22.276 -25.027 -24.138 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.901 -24.203 -25.000 1.00 0.00 O ATOM 202 OD2 ASP A 14 22.060 -24.864 -22.918 1.00 0.00 O ATOM 0 H ASP A 14 24.778 -27.963 -25.690 1.00 0.00 H new ATOM 0 HA ASP A 14 24.154 -25.283 -26.055 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.434 -26.814 -25.323 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.177 -26.939 -23.741 1.00 0.00 H new ATOM 207 N GLU A 15 25.977 -25.937 -23.373 1.00 0.00 N ATOM 208 CA GLU A 15 26.889 -25.296 -22.414 1.00 0.00 C ATOM 209 C GLU A 15 27.871 -24.310 -23.056 1.00 0.00 C ATOM 210 O GLU A 15 28.015 -23.165 -22.621 1.00 0.00 O ATOM 211 CB GLU A 15 27.659 -26.333 -21.572 1.00 0.00 C ATOM 212 CG GLU A 15 26.870 -26.754 -20.325 1.00 0.00 C ATOM 213 CD GLU A 15 27.083 -25.783 -19.174 1.00 0.00 C ATOM 214 OE1 GLU A 15 28.190 -25.771 -18.595 1.00 0.00 O ATOM 215 OE2 GLU A 15 26.137 -25.044 -18.826 1.00 0.00 O ATOM 0 H GLU A 15 25.971 -26.957 -23.359 1.00 0.00 H new ATOM 0 HA GLU A 15 26.240 -24.715 -21.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.871 -27.211 -22.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.620 -25.915 -21.270 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.808 -26.806 -20.566 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.177 -27.754 -20.020 1.00 0.00 H new ATOM 222 N CYS A 16 28.527 -24.744 -24.121 1.00 0.00 N ATOM 223 CA CYS A 16 29.576 -23.877 -24.696 1.00 0.00 C ATOM 224 C CYS A 16 28.964 -22.795 -25.615 1.00 0.00 C ATOM 225 O CYS A 16 29.590 -21.755 -25.823 1.00 0.00 O ATOM 226 CB CYS A 16 30.466 -24.832 -25.514 1.00 0.00 C ATOM 227 SG CYS A 16 30.695 -26.394 -24.602 1.00 0.00 S ATOM 0 H CYS A 16 28.375 -25.636 -24.592 1.00 0.00 H new ATOM 0 HA CYS A 16 30.131 -23.345 -23.923 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.008 -25.030 -26.483 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.433 -24.367 -25.707 1.00 0.00 H new ATOM 0 HG CYS A 16 31.213 -27.286 -25.393 1.00 0.00 H new ATOM 233 N MET A 17 27.756 -22.980 -26.170 1.00 0.00 N ATOM 234 CA MET A 17 27.135 -21.835 -26.873 1.00 0.00 C ATOM 235 C MET A 17 26.499 -20.861 -25.858 1.00 0.00 C ATOM 236 O MET A 17 26.320 -19.677 -26.140 1.00 0.00 O ATOM 237 CB MET A 17 26.188 -22.147 -28.049 1.00 0.00 C ATOM 238 CG MET A 17 26.361 -21.122 -29.198 1.00 0.00 C ATOM 239 SD MET A 17 27.131 -21.896 -30.644 1.00 0.00 S ATOM 240 CE MET A 17 28.484 -20.738 -31.027 1.00 0.00 C ATOM 0 H MET A 17 27.217 -23.846 -26.154 1.00 0.00 H new ATOM 0 HA MET A 17 27.972 -21.359 -27.383 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.387 -23.152 -28.422 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.155 -22.135 -27.700 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.390 -20.712 -29.474 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.974 -20.288 -28.857 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.100 -21.150 -31.827 1.00 0.00 H new ATOM 0 HE2 MET A 17 28.066 -19.783 -31.345 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.097 -20.588 -30.138 1.00 0.00 H new ATOM 250 N LYS A 18 26.158 -21.356 -24.660 1.00 0.00 N ATOM 251 CA LYS A 18 25.739 -20.453 -23.592 1.00 0.00 C ATOM 252 C LYS A 18 26.881 -19.562 -23.100 1.00 0.00 C ATOM 253 O LYS A 18 26.704 -18.372 -22.848 1.00 0.00 O ATOM 254 CB LYS A 18 25.130 -21.235 -22.420 1.00 0.00 C ATOM 255 CG LYS A 18 23.868 -20.572 -21.860 1.00 0.00 C ATOM 256 CD LYS A 18 22.613 -21.292 -22.367 1.00 0.00 C ATOM 257 CE LYS A 18 22.232 -20.854 -23.785 1.00 0.00 C ATOM 258 NZ LYS A 18 22.852 -21.751 -24.778 1.00 0.00 N ATOM 0 H LYS A 18 26.164 -22.346 -24.415 1.00 0.00 H new ATOM 0 HA LYS A 18 24.976 -19.800 -24.016 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.889 -22.246 -22.749 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.871 -21.326 -21.626 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.892 -20.594 -20.770 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.838 -19.524 -22.157 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.783 -22.369 -22.354 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.782 -21.092 -21.690 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.148 -20.867 -23.899 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.558 -19.828 -23.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.129 -21.202 -25.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.694 -22.199 -24.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.170 -22.486 -25.055 1.00 0.00 H new ATOM 272 N ILE A 19 28.060 -20.152 -22.933 1.00 0.00 N ATOM 273 CA ILE A 19 29.253 -19.330 -22.683 1.00 0.00 C ATOM 274 C ILE A 19 29.539 -18.376 -23.853 1.00 0.00 C ATOM 275 O ILE A 19 29.876 -17.208 -23.674 1.00 0.00 O ATOM 276 CB ILE A 19 30.456 -20.216 -22.305 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.062 -19.784 -20.965 1.00 0.00 C ATOM 278 CG2 ILE A 19 31.534 -20.271 -23.377 1.00 0.00 C ATOM 279 CD1 ILE A 19 32.043 -18.621 -21.053 1.00 0.00 C ATOM 0 H ILE A 19 28.221 -21.159 -22.963 1.00 0.00 H new ATOM 0 HA ILE A 19 29.059 -18.688 -21.824 1.00 0.00 H new ATOM 0 HB ILE A 19 30.058 -21.226 -22.212 1.00 0.00 H new ATOM 0 HG12 ILE A 19 30.253 -19.508 -20.288 1.00 0.00 H new ATOM 0 HG13 ILE A 19 31.572 -20.639 -20.521 1.00 0.00 H new ATOM 0 HG21 ILE A 19 32.349 -20.913 -23.041 1.00 0.00 H new ATOM 0 HG22 ILE A 19 31.111 -20.673 -24.298 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.916 -19.267 -23.561 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.419 -18.386 -20.057 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.876 -18.896 -21.700 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.536 -17.748 -21.464 1.00 0.00 H new ATOM 291 N PHE A 20 29.403 -18.902 -25.065 1.00 0.00 N ATOM 292 CA PHE A 20 29.483 -18.040 -26.255 1.00 0.00 C ATOM 293 C PHE A 20 28.387 -16.946 -26.263 1.00 0.00 C ATOM 294 O PHE A 20 28.430 -15.997 -27.035 1.00 0.00 O ATOM 295 CB PHE A 20 29.423 -18.849 -27.570 1.00 0.00 C ATOM 296 CG PHE A 20 30.117 -18.136 -28.728 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.468 -17.163 -29.416 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.435 -18.344 -28.971 1.00 0.00 C ATOM 299 CE1 PHE A 20 30.181 -16.252 -30.123 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.163 -17.381 -29.584 1.00 0.00 C ATOM 301 CZ PHE A 20 31.535 -16.307 -30.117 1.00 0.00 C ATOM 0 H PHE A 20 29.241 -19.891 -25.255 1.00 0.00 H new ATOM 0 HA PHE A 20 30.455 -17.551 -26.197 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.889 -19.822 -27.415 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.381 -19.032 -27.833 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.389 -17.115 -29.400 1.00 0.00 H new ATOM 0 HD2 PHE A 20 31.901 -19.273 -28.677 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.672 -15.486 -30.689 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.238 -17.469 -29.647 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.112 -15.496 -30.536 1.00 0.00 H new ATOM 311 N ASP A 21 27.361 -17.113 -25.439 1.00 0.00 N ATOM 312 CA ASP A 21 26.341 -16.057 -25.327 1.00 0.00 C ATOM 313 C ASP A 21 26.626 -15.065 -24.189 1.00 0.00 C ATOM 314 O ASP A 21 26.462 -13.854 -24.336 1.00 0.00 O ATOM 315 CB ASP A 21 24.930 -16.641 -25.193 1.00 0.00 C ATOM 316 CG ASP A 21 23.860 -15.671 -25.678 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.731 -15.480 -26.906 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.138 -15.101 -24.832 1.00 0.00 O ATOM 0 H ASP A 21 27.207 -17.934 -24.854 1.00 0.00 H new ATOM 0 HA ASP A 21 26.393 -15.496 -26.260 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.865 -17.567 -25.765 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.741 -16.897 -24.150 1.00 0.00 H new ATOM 323 N ILE A 22 27.043 -15.582 -23.037 1.00 0.00 N ATOM 324 CA ILE A 22 27.391 -14.670 -21.928 1.00 0.00 C ATOM 325 C ILE A 22 28.730 -13.961 -22.177 1.00 0.00 C ATOM 326 O ILE A 22 28.854 -12.745 -22.030 1.00 0.00 O ATOM 327 CB ILE A 22 27.381 -15.294 -20.504 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.049 -16.004 -20.196 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.608 -14.204 -19.452 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.300 -17.410 -19.648 1.00 0.00 C ATOM 0 H ILE A 22 27.148 -16.577 -22.841 1.00 0.00 H new ATOM 0 HA ILE A 22 26.574 -13.948 -21.932 1.00 0.00 H new ATOM 0 HB ILE A 22 28.183 -16.031 -20.471 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.480 -15.422 -19.471 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.445 -16.064 -21.101 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.599 -14.651 -18.458 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.572 -13.725 -19.626 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.815 -13.460 -19.522 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.346 -17.894 -19.437 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.849 -17.995 -20.386 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.884 -17.344 -18.730 1.00 0.00 H new ATOM 342 N PHE A 23 29.741 -14.732 -22.556 1.00 0.00 N ATOM 343 CA PHE A 23 31.060 -14.129 -22.803 1.00 0.00 C ATOM 344 C PHE A 23 31.145 -13.427 -24.163 1.00 0.00 C ATOM 345 O PHE A 23 31.900 -12.471 -24.341 1.00 0.00 O ATOM 346 CB PHE A 23 32.206 -15.140 -22.632 1.00 0.00 C ATOM 347 CG PHE A 23 32.437 -15.501 -21.166 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.382 -15.743 -20.347 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.689 -15.765 -20.717 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.583 -15.850 -19.012 1.00 0.00 C ATOM 351 CE2 PHE A 23 33.899 -15.945 -19.387 1.00 0.00 C ATOM 352 CZ PHE A 23 32.845 -15.955 -18.531 1.00 0.00 C ATOM 0 H PHE A 23 29.687 -15.741 -22.697 1.00 0.00 H new ATOM 0 HA PHE A 23 31.181 -13.362 -22.038 1.00 0.00 H new ATOM 0 HB2 PHE A 23 31.979 -16.044 -23.197 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.122 -14.724 -23.052 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.389 -15.850 -20.757 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.513 -15.832 -21.412 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.742 -15.852 -18.335 1.00 0.00 H new ATOM 0 HE2 PHE A 23 34.902 -16.080 -19.011 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.013 -16.047 -17.468 1.00 0.00 H new ATOM 362 N ASP A 24 30.361 -13.896 -25.133 1.00 0.00 N ATOM 363 CA ASP A 24 30.286 -13.141 -26.387 1.00 0.00 C ATOM 364 C ASP A 24 29.190 -12.052 -26.324 1.00 0.00 C ATOM 365 O ASP A 24 28.951 -11.331 -27.289 1.00 0.00 O ATOM 366 CB ASP A 24 30.106 -14.015 -27.632 1.00 0.00 C ATOM 367 CG ASP A 24 30.849 -13.452 -28.827 1.00 0.00 C ATOM 368 OD1 ASP A 24 32.099 -13.446 -28.811 1.00 0.00 O ATOM 369 OD2 ASP A 24 30.188 -13.020 -29.795 1.00 0.00 O ATOM 0 H ASP A 24 29.798 -14.745 -25.086 1.00 0.00 H new ATOM 0 HA ASP A 24 31.259 -12.662 -26.492 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.464 -15.023 -27.423 1.00 0.00 H new ATOM 0 HB3 ASP A 24 29.045 -14.096 -27.869 1.00 0.00 H new ATOM 437 N ASN A 29 32.040 -11.168 -30.415 1.00 0.00 N ATOM 438 CA ASN A 29 32.866 -11.806 -31.449 1.00 0.00 C ATOM 439 C ASN A 29 34.357 -11.931 -31.138 1.00 0.00 C ATOM 440 O ASN A 29 35.156 -12.147 -32.046 1.00 0.00 O ATOM 441 CB ASN A 29 32.575 -11.283 -32.872 1.00 0.00 C ATOM 442 CG ASN A 29 31.189 -11.704 -33.375 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.047 -12.246 -34.469 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.144 -11.455 -32.600 1.00 0.00 N ATOM 0 HA ASN A 29 32.529 -12.842 -31.427 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.646 -10.195 -32.879 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.336 -11.657 -33.557 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.207 -11.714 -32.909 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.276 -11.005 -31.694 1.00 0.00 H new ATOM 451 N ILE A 30 34.743 -11.845 -29.864 1.00 0.00 N ATOM 452 CA ILE A 30 36.115 -12.247 -29.494 1.00 0.00 C ATOM 453 C ILE A 30 36.182 -12.684 -28.008 1.00 0.00 C ATOM 454 O ILE A 30 35.933 -11.896 -27.096 1.00 0.00 O ATOM 455 CB ILE A 30 37.250 -11.236 -29.814 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.164 -10.001 -28.892 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.270 -10.793 -31.281 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.107 -8.871 -29.321 1.00 0.00 C ATOM 0 H ILE A 30 34.159 -11.516 -29.095 1.00 0.00 H new ATOM 0 HA ILE A 30 36.319 -13.090 -30.154 1.00 0.00 H new ATOM 0 HB ILE A 30 38.184 -11.766 -29.628 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.139 -9.630 -28.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 37.402 -10.299 -27.871 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.086 -10.088 -31.437 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.415 -11.663 -31.922 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.323 -10.313 -31.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.002 -8.030 -28.636 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.136 -9.229 -29.302 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.854 -8.550 -30.331 1.00 0.00 H new ATOM 470 N ALA A 31 36.501 -13.956 -27.762 1.00 0.00 N ATOM 471 CA ALA A 31 36.658 -14.406 -26.360 1.00 0.00 C ATOM 472 C ALA A 31 38.072 -14.982 -26.113 1.00 0.00 C ATOM 473 O ALA A 31 38.466 -15.943 -26.770 1.00 0.00 O ATOM 474 CB ALA A 31 35.602 -15.438 -25.961 1.00 0.00 C ATOM 0 H ALA A 31 36.652 -14.672 -28.473 1.00 0.00 H new ATOM 0 HA ALA A 31 36.518 -13.524 -25.735 1.00 0.00 H new ATOM 0 HB1 ALA A 31 35.759 -15.737 -24.925 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.609 -15.002 -26.066 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.685 -16.312 -26.607 1.00 0.00 H new ATOM 480 N PRO A 32 38.833 -14.494 -25.118 1.00 0.00 N ATOM 481 CA PRO A 32 40.264 -14.849 -25.077 1.00 0.00 C ATOM 482 C PRO A 32 40.578 -16.071 -24.197 1.00 0.00 C ATOM 483 O PRO A 32 39.698 -16.745 -23.664 1.00 0.00 O ATOM 484 CB PRO A 32 40.947 -13.567 -24.574 1.00 0.00 C ATOM 485 CG PRO A 32 39.854 -12.731 -23.909 1.00 0.00 C ATOM 486 CD PRO A 32 38.538 -13.181 -24.539 1.00 0.00 C ATOM 0 HA PRO A 32 40.625 -15.164 -26.056 1.00 0.00 H new ATOM 0 HB2 PRO A 32 41.742 -13.802 -23.866 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.406 -13.022 -25.399 1.00 0.00 H new ATOM 0 HG2 PRO A 32 39.844 -12.888 -22.830 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.022 -11.667 -24.074 1.00 0.00 H new ATOM 0 HD2 PRO A 32 37.744 -13.246 -23.795 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.203 -12.478 -25.302 1.00 0.00 H new ATOM 494 N VAL A 33 41.869 -16.386 -24.102 1.00 0.00 N ATOM 495 CA VAL A 33 42.299 -17.540 -23.277 1.00 0.00 C ATOM 496 C VAL A 33 41.838 -17.453 -21.807 1.00 0.00 C ATOM 497 O VAL A 33 41.352 -18.428 -21.225 1.00 0.00 O ATOM 498 CB VAL A 33 43.821 -17.787 -23.317 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.163 -18.803 -24.412 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.612 -16.494 -23.558 1.00 0.00 C ATOM 0 H VAL A 33 42.624 -15.882 -24.567 1.00 0.00 H new ATOM 0 HA VAL A 33 41.798 -18.389 -23.743 1.00 0.00 H new ATOM 0 HB VAL A 33 44.107 -18.179 -22.341 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.240 -18.969 -24.431 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.654 -19.745 -24.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 43.838 -18.419 -25.379 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.678 -16.718 -23.578 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.315 -16.058 -24.512 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.405 -15.786 -22.755 1.00 0.00 H new ATOM 510 N SER A 34 42.017 -16.287 -21.188 1.00 0.00 N ATOM 511 CA SER A 34 41.517 -16.110 -19.814 1.00 0.00 C ATOM 512 C SER A 34 40.021 -16.441 -19.673 1.00 0.00 C ATOM 513 O SER A 34 39.575 -16.976 -18.661 1.00 0.00 O ATOM 514 CB SER A 34 41.802 -14.711 -19.260 1.00 0.00 C ATOM 515 OG SER A 34 41.125 -13.729 -20.036 1.00 0.00 O ATOM 0 H SER A 34 42.485 -15.476 -21.591 1.00 0.00 H new ATOM 0 HA SER A 34 42.074 -16.831 -19.216 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.479 -14.650 -18.221 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.875 -14.519 -19.272 1.00 0.00 H new ATOM 0 HG SER A 34 41.312 -12.838 -19.672 1.00 0.00 H new ATOM 521 N ASP A 35 39.244 -16.106 -20.700 1.00 0.00 N ATOM 522 CA ASP A 35 37.843 -16.542 -20.741 1.00 0.00 C ATOM 523 C ASP A 35 37.690 -18.075 -20.733 1.00 0.00 C ATOM 524 O ASP A 35 36.746 -18.618 -20.164 1.00 0.00 O ATOM 525 CB ASP A 35 37.102 -15.938 -21.942 1.00 0.00 C ATOM 526 CG ASP A 35 36.737 -14.472 -21.718 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.492 -13.756 -21.025 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.702 -14.025 -22.258 1.00 0.00 O ATOM 0 H ASP A 35 39.547 -15.548 -21.499 1.00 0.00 H new ATOM 0 HA ASP A 35 37.387 -16.169 -19.824 1.00 0.00 H new ATOM 0 HB2 ASP A 35 37.726 -16.023 -22.832 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.195 -16.511 -22.133 1.00 0.00 H new ATOM 533 N THR A 36 38.610 -18.779 -21.393 1.00 0.00 N ATOM 534 CA THR A 36 38.635 -20.246 -21.278 1.00 0.00 C ATOM 535 C THR A 36 38.888 -20.712 -19.823 1.00 0.00 C ATOM 536 O THR A 36 38.295 -21.689 -19.363 1.00 0.00 O ATOM 537 CB THR A 36 39.561 -20.918 -22.328 1.00 0.00 C ATOM 538 OG1 THR A 36 39.079 -20.619 -23.630 1.00 0.00 O ATOM 539 CG2 THR A 36 39.609 -22.443 -22.181 1.00 0.00 C ATOM 0 H THR A 36 39.329 -18.378 -21.996 1.00 0.00 H new ATOM 0 HA THR A 36 37.635 -20.600 -21.527 1.00 0.00 H new ATOM 0 HB THR A 36 40.566 -20.527 -22.167 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.104 -20.525 -23.604 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.271 -22.861 -22.940 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.984 -22.701 -21.191 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.607 -22.853 -22.308 1.00 0.00 H new ATOM 547 N MET A 37 39.721 -19.988 -19.066 1.00 0.00 N ATOM 548 CA MET A 37 39.863 -20.326 -17.637 1.00 0.00 C ATOM 549 C MET A 37 38.640 -19.920 -16.805 1.00 0.00 C ATOM 550 O MET A 37 38.138 -20.691 -15.985 1.00 0.00 O ATOM 551 CB MET A 37 41.119 -19.709 -17.012 1.00 0.00 C ATOM 552 CG MET A 37 42.401 -20.289 -17.606 1.00 0.00 C ATOM 553 SD MET A 37 42.711 -19.561 -19.218 1.00 0.00 S ATOM 554 CE MET A 37 42.564 -21.044 -20.219 1.00 0.00 C ATOM 0 H MET A 37 40.283 -19.202 -19.393 1.00 0.00 H new ATOM 0 HA MET A 37 39.953 -21.412 -17.615 1.00 0.00 H new ATOM 0 HB2 MET A 37 41.106 -18.630 -17.163 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.109 -19.880 -15.936 1.00 0.00 H new ATOM 0 HG2 MET A 37 43.242 -20.093 -16.941 1.00 0.00 H new ATOM 0 HG3 MET A 37 42.313 -21.372 -17.697 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.638 -20.780 -21.274 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.364 -21.738 -19.962 1.00 0.00 H new ATOM 0 HE3 MET A 37 41.600 -21.516 -20.030 1.00 0.00 H new ATOM 564 N ASP A 38 38.183 -18.682 -16.984 1.00 0.00 N ATOM 565 CA ASP A 38 36.953 -18.248 -16.302 1.00 0.00 C ATOM 566 C ASP A 38 35.743 -19.132 -16.628 1.00 0.00 C ATOM 567 O ASP A 38 34.886 -19.379 -15.779 1.00 0.00 O ATOM 568 CB ASP A 38 36.636 -16.774 -16.579 1.00 0.00 C ATOM 569 CG ASP A 38 37.579 -15.846 -15.823 1.00 0.00 C ATOM 570 OD1 ASP A 38 37.432 -15.718 -14.588 1.00 0.00 O ATOM 571 OD2 ASP A 38 38.466 -15.239 -16.459 1.00 0.00 O ATOM 0 H ASP A 38 38.625 -17.977 -17.575 1.00 0.00 H new ATOM 0 HA ASP A 38 37.152 -18.360 -15.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.713 -16.579 -17.649 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.607 -16.562 -16.290 1.00 0.00 H new ATOM 576 N MET A 39 35.673 -19.628 -17.859 1.00 0.00 N ATOM 577 CA MET A 39 34.592 -20.557 -18.196 1.00 0.00 C ATOM 578 C MET A 39 34.767 -21.919 -17.546 1.00 0.00 C ATOM 579 O MET A 39 33.839 -22.498 -16.996 1.00 0.00 O ATOM 580 CB MET A 39 34.348 -20.683 -19.708 1.00 0.00 C ATOM 581 CG MET A 39 35.016 -21.885 -20.394 1.00 0.00 C ATOM 582 SD MET A 39 34.218 -22.185 -21.983 1.00 0.00 S ATOM 583 CE MET A 39 35.077 -23.685 -22.482 1.00 0.00 C ATOM 0 H MET A 39 36.323 -19.416 -18.616 1.00 0.00 H new ATOM 0 HA MET A 39 33.692 -20.111 -17.773 1.00 0.00 H new ATOM 0 HB2 MET A 39 33.273 -20.741 -19.880 1.00 0.00 H new ATOM 0 HB3 MET A 39 34.699 -19.771 -20.191 1.00 0.00 H new ATOM 0 HG2 MET A 39 36.079 -21.691 -20.539 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.937 -22.769 -19.762 1.00 0.00 H new ATOM 0 HE1 MET A 39 35.246 -23.666 -23.559 1.00 0.00 H new ATOM 0 HE2 MET A 39 36.035 -23.745 -21.965 1.00 0.00 H new ATOM 0 HE3 MET A 39 34.471 -24.554 -22.225 1.00 0.00 H new ATOM 593 N LEU A 40 35.962 -22.461 -17.621 1.00 0.00 N ATOM 594 CA LEU A 40 36.135 -23.814 -17.073 1.00 0.00 C ATOM 595 C LEU A 40 36.161 -23.848 -15.535 1.00 0.00 C ATOM 596 O LEU A 40 36.086 -24.907 -14.911 1.00 0.00 O ATOM 597 CB LEU A 40 37.268 -24.568 -17.786 1.00 0.00 C ATOM 598 CG LEU A 40 37.040 -24.530 -19.311 1.00 0.00 C ATOM 599 CD1 LEU A 40 38.314 -24.833 -20.084 1.00 0.00 C ATOM 600 CD2 LEU A 40 35.934 -25.502 -19.718 1.00 0.00 C ATOM 0 H LEU A 40 36.792 -22.029 -18.028 1.00 0.00 H new ATOM 0 HA LEU A 40 35.238 -24.389 -17.302 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.229 -24.116 -17.541 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.304 -25.601 -17.440 1.00 0.00 H new ATOM 0 HG LEU A 40 36.731 -23.515 -19.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.108 -24.796 -21.154 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.075 -24.094 -19.835 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.673 -25.827 -19.818 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.790 -25.458 -20.798 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.216 -26.515 -19.430 1.00 0.00 H new ATOM 0 HD23 LEU A 40 35.006 -25.227 -19.217 1.00 0.00 H new ATOM 612 N THR A 41 36.223 -22.669 -14.923 1.00 0.00 N ATOM 613 CA THR A 41 35.956 -22.579 -13.486 1.00 0.00 C ATOM 614 C THR A 41 34.471 -22.257 -13.205 1.00 0.00 C ATOM 615 O THR A 41 33.856 -22.818 -12.299 1.00 0.00 O ATOM 616 CB THR A 41 36.870 -21.562 -12.780 1.00 0.00 C ATOM 617 OG1 THR A 41 38.210 -21.744 -13.219 1.00 0.00 O ATOM 618 CG2 THR A 41 36.823 -21.737 -11.261 1.00 0.00 C ATOM 0 H THR A 41 36.448 -21.786 -15.380 1.00 0.00 H new ATOM 0 HA THR A 41 36.181 -23.562 -13.072 1.00 0.00 H new ATOM 0 HB THR A 41 36.518 -20.561 -13.030 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.302 -21.409 -14.135 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.479 -21.005 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.802 -21.589 -10.909 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.155 -22.742 -11.000 1.00 0.00 H new ATOM 626 N LYS A 42 33.885 -21.359 -14.004 1.00 0.00 N ATOM 627 CA LYS A 42 32.503 -20.932 -13.731 1.00 0.00 C ATOM 628 C LYS A 42 31.411 -21.696 -14.503 1.00 0.00 C ATOM 629 O LYS A 42 30.261 -21.768 -14.066 1.00 0.00 O ATOM 630 CB LYS A 42 32.350 -19.413 -13.907 1.00 0.00 C ATOM 631 CG LYS A 42 31.082 -18.872 -13.226 1.00 0.00 C ATOM 632 CD LYS A 42 30.313 -17.910 -14.143 1.00 0.00 C ATOM 633 CE LYS A 42 29.657 -18.634 -15.327 1.00 0.00 C ATOM 634 NZ LYS A 42 28.615 -19.564 -14.850 1.00 0.00 N ATOM 0 H LYS A 42 34.323 -20.926 -14.817 1.00 0.00 H new ATOM 0 HA LYS A 42 32.333 -21.196 -12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 42 33.225 -18.911 -13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 42 32.319 -19.174 -14.970 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.435 -19.704 -12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 42 31.355 -18.357 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 42 29.546 -17.395 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 30.995 -17.147 -14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 42 29.218 -17.905 -16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 42 30.413 -19.182 -15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 27.964 -19.786 -15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 29.061 -20.441 -14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 28.085 -19.122 -14.072 1.00 0.00 H new ATOM 648 N LEU A 43 31.745 -22.240 -15.670 1.00 0.00 N ATOM 649 CA LEU A 43 30.773 -23.122 -16.347 1.00 0.00 C ATOM 650 C LEU A 43 30.407 -24.293 -15.421 1.00 0.00 C ATOM 651 O LEU A 43 29.247 -24.688 -15.300 1.00 0.00 O ATOM 652 CB LEU A 43 31.234 -23.748 -17.687 1.00 0.00 C ATOM 653 CG LEU A 43 31.479 -22.766 -18.855 1.00 0.00 C ATOM 654 CD1 LEU A 43 32.196 -23.503 -19.978 1.00 0.00 C ATOM 655 CD2 LEU A 43 30.199 -22.214 -19.460 1.00 0.00 C ATOM 0 H LEU A 43 32.632 -22.102 -16.155 1.00 0.00 H new ATOM 0 HA LEU A 43 29.938 -22.460 -16.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.156 -24.301 -17.507 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.483 -24.473 -18.002 1.00 0.00 H new ATOM 0 HG LEU A 43 32.058 -21.941 -18.440 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.374 -22.818 -20.807 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.149 -23.885 -19.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.579 -24.334 -20.320 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.446 -21.532 -20.274 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.595 -23.035 -19.845 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.637 -21.678 -18.695 1.00 0.00 H new ATOM 667 N GLY A 44 31.424 -24.849 -14.761 1.00 0.00 N ATOM 668 CA GLY A 44 31.162 -25.945 -13.817 1.00 0.00 C ATOM 669 C GLY A 44 31.279 -27.313 -14.490 1.00 0.00 C ATOM 670 O GLY A 44 30.514 -28.232 -14.198 1.00 0.00 O ATOM 0 H GLY A 44 32.402 -24.575 -14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.866 -25.886 -12.987 1.00 0.00 H new ATOM 0 HA3 GLY A 44 30.163 -25.831 -13.396 1.00 0.00 H new ATOM 674 N GLN A 45 32.250 -27.461 -15.386 1.00 0.00 N ATOM 675 CA GLN A 45 32.421 -28.755 -16.057 1.00 0.00 C ATOM 676 C GLN A 45 33.753 -28.824 -16.809 1.00 0.00 C ATOM 677 O GLN A 45 33.822 -28.611 -18.020 1.00 0.00 O ATOM 678 CB GLN A 45 31.247 -29.115 -16.987 1.00 0.00 C ATOM 679 CG GLN A 45 31.295 -30.586 -17.427 1.00 0.00 C ATOM 680 CD GLN A 45 29.897 -31.114 -17.734 1.00 0.00 C ATOM 681 OE1 GLN A 45 29.037 -31.211 -16.861 1.00 0.00 O ATOM 682 NE2 GLN A 45 29.655 -31.469 -18.980 1.00 0.00 N ATOM 0 H GLN A 45 32.911 -26.734 -15.660 1.00 0.00 H new ATOM 0 HA GLN A 45 32.432 -29.504 -15.265 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.305 -28.920 -16.475 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.270 -28.472 -17.867 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.926 -30.684 -18.310 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.750 -31.189 -16.641 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.385 -31.379 -19.687 1.00 0.00 H new ATOM 0 HE22 GLN A 45 28.738 -31.834 -19.237 1.00 0.00 H new ATOM 691 N THR A 46 34.834 -29.088 -16.081 1.00 0.00 N ATOM 692 CA THR A 46 36.122 -29.274 -16.761 1.00 0.00 C ATOM 693 C THR A 46 36.173 -30.672 -17.429 1.00 0.00 C ATOM 694 O THR A 46 35.237 -31.463 -17.291 1.00 0.00 O ATOM 695 CB THR A 46 37.375 -28.948 -15.895 1.00 0.00 C ATOM 696 OG1 THR A 46 38.197 -30.100 -15.759 1.00 0.00 O ATOM 697 CG2 THR A 46 37.019 -28.446 -14.491 1.00 0.00 C ATOM 0 H THR A 46 34.854 -29.176 -15.065 1.00 0.00 H new ATOM 0 HA THR A 46 36.175 -28.519 -17.546 1.00 0.00 H new ATOM 0 HB THR A 46 37.903 -28.151 -16.419 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.981 -29.880 -15.214 1.00 0.00 H new ATOM 0 HG21 THR A 46 37.934 -28.236 -13.937 1.00 0.00 H new ATOM 0 HG22 THR A 46 36.425 -27.535 -14.570 1.00 0.00 H new ATOM 0 HG23 THR A 46 36.444 -29.209 -13.967 1.00 0.00 H new ATOM 705 N TYR A 47 37.242 -31.007 -18.157 1.00 0.00 N ATOM 706 CA TYR A 47 37.185 -32.263 -18.906 1.00 0.00 C ATOM 707 C TYR A 47 37.871 -33.423 -18.162 1.00 0.00 C ATOM 708 O TYR A 47 37.371 -33.881 -17.133 1.00 0.00 O ATOM 709 CB TYR A 47 37.617 -32.075 -20.362 1.00 0.00 C ATOM 710 CG TYR A 47 36.543 -31.343 -21.163 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.533 -32.030 -21.754 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.509 -29.987 -21.153 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.360 -31.390 -22.022 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.349 -29.339 -21.440 1.00 0.00 C ATOM 715 CZ TYR A 47 34.268 -30.048 -21.846 1.00 0.00 C ATOM 716 OH TYR A 47 33.065 -29.415 -22.011 1.00 0.00 O ATOM 0 H TYR A 47 38.103 -30.467 -18.243 1.00 0.00 H new ATOM 0 HA TYR A 47 36.142 -32.573 -18.965 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.549 -31.512 -20.398 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.814 -33.047 -20.815 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.657 -33.072 -22.009 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.400 -29.424 -20.918 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.506 -31.950 -22.374 1.00 0.00 H new ATOM 0 HE2 TYR A 47 35.289 -28.265 -21.345 1.00 0.00 H new ATOM 0 HH TYR A 47 32.447 -29.698 -21.305 1.00 0.00 H new ATOM 726 N THR A 48 39.005 -33.927 -18.655 1.00 0.00 N ATOM 727 CA THR A 48 39.630 -35.062 -17.948 1.00 0.00 C ATOM 728 C THR A 48 41.143 -35.171 -18.182 1.00 0.00 C ATOM 729 O THR A 48 41.945 -34.981 -17.267 1.00 0.00 O ATOM 730 CB THR A 48 38.925 -36.405 -18.237 1.00 0.00 C ATOM 731 OG1 THR A 48 37.533 -36.278 -17.976 1.00 0.00 O ATOM 732 CG2 THR A 48 39.482 -37.526 -17.356 1.00 0.00 C ATOM 0 H THR A 48 39.490 -33.597 -19.489 1.00 0.00 H new ATOM 0 HA THR A 48 39.493 -34.840 -16.890 1.00 0.00 H new ATOM 0 HB THR A 48 39.100 -36.656 -19.283 1.00 0.00 H new ATOM 0 HG1 THR A 48 37.387 -35.563 -17.322 1.00 0.00 H new ATOM 0 HG21 THR A 48 38.965 -38.458 -17.583 1.00 0.00 H new ATOM 0 HG22 THR A 48 40.548 -37.645 -17.550 1.00 0.00 H new ATOM 0 HG23 THR A 48 39.330 -37.274 -16.307 1.00 0.00 H new ATOM 740 N LYS A 49 41.543 -35.504 -19.404 1.00 0.00 N ATOM 741 CA LYS A 49 42.971 -35.763 -19.645 1.00 0.00 C ATOM 742 C LYS A 49 43.783 -34.497 -19.954 1.00 0.00 C ATOM 743 O LYS A 49 43.257 -33.386 -20.030 1.00 0.00 O ATOM 744 CB LYS A 49 43.172 -36.803 -20.760 1.00 0.00 C ATOM 745 CG LYS A 49 42.577 -38.167 -20.392 1.00 0.00 C ATOM 746 CD LYS A 49 42.980 -39.226 -21.423 1.00 0.00 C ATOM 747 CE LYS A 49 42.137 -39.113 -22.697 1.00 0.00 C ATOM 748 NZ LYS A 49 42.908 -39.597 -23.855 1.00 0.00 N ATOM 0 H LYS A 49 40.934 -35.600 -20.217 1.00 0.00 H new ATOM 0 HA LYS A 49 43.354 -36.162 -18.706 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.709 -36.442 -21.679 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.237 -36.915 -20.962 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.922 -38.465 -19.402 1.00 0.00 H new ATOM 0 HG3 LYS A 49 41.491 -38.095 -20.342 1.00 0.00 H new ATOM 0 HD2 LYS A 49 44.035 -39.111 -21.671 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.860 -40.220 -20.992 1.00 0.00 H new ATOM 0 HE2 LYS A 49 41.222 -39.695 -22.590 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.839 -38.076 -22.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 42.307 -39.581 -24.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 43.734 -38.982 -24.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 43.228 -40.570 -23.676 1.00 0.00 H new ATOM 762 N ARG A 50 45.092 -34.673 -20.132 1.00 0.00 N ATOM 763 CA ARG A 50 45.930 -33.530 -20.531 1.00 0.00 C ATOM 764 C ARG A 50 45.652 -33.021 -21.966 1.00 0.00 C ATOM 765 O ARG A 50 46.147 -31.973 -22.382 1.00 0.00 O ATOM 766 CB ARG A 50 47.421 -33.846 -20.331 1.00 0.00 C ATOM 767 CG ARG A 50 48.317 -32.623 -20.585 1.00 0.00 C ATOM 768 CD ARG A 50 49.533 -32.621 -19.656 1.00 0.00 C ATOM 769 NE ARG A 50 49.166 -32.026 -18.364 1.00 0.00 N ATOM 770 CZ ARG A 50 50.106 -31.462 -17.620 1.00 0.00 C ATOM 771 NH1 ARG A 50 51.327 -31.962 -17.585 1.00 0.00 N ATOM 772 NH2 ARG A 50 49.813 -30.405 -16.892 1.00 0.00 N ATOM 0 H ARG A 50 45.586 -35.558 -20.013 1.00 0.00 H new ATOM 0 HA ARG A 50 45.652 -32.709 -19.870 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.581 -34.205 -19.314 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.712 -34.653 -21.004 1.00 0.00 H new ATOM 0 HG2 ARG A 50 48.650 -32.623 -21.623 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.741 -31.710 -20.435 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.893 -33.639 -19.510 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.348 -32.057 -20.109 1.00 0.00 H new ATOM 0 HE ARG A 50 48.198 -32.047 -18.043 1.00 0.00 H new ATOM 0 HH11 ARG A 50 51.555 -32.791 -18.134 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.043 -31.520 -17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 50 48.867 -30.025 -16.903 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.532 -29.966 -16.317 1.00 0.00 H new ATOM 786 N GLU A 51 44.856 -33.762 -22.730 1.00 0.00 N ATOM 787 CA GLU A 51 44.488 -33.289 -24.072 1.00 0.00 C ATOM 788 C GLU A 51 43.436 -32.158 -24.035 1.00 0.00 C ATOM 789 O GLU A 51 43.415 -31.261 -24.879 1.00 0.00 O ATOM 790 CB GLU A 51 44.066 -34.448 -24.981 1.00 0.00 C ATOM 791 CG GLU A 51 45.198 -35.470 -25.173 1.00 0.00 C ATOM 792 CD GLU A 51 44.990 -36.700 -24.299 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.384 -36.673 -23.114 1.00 0.00 O ATOM 794 OE2 GLU A 51 44.429 -37.701 -24.795 1.00 0.00 O ATOM 0 H GLU A 51 44.461 -34.663 -22.461 1.00 0.00 H new ATOM 0 HA GLU A 51 45.385 -32.849 -24.509 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.196 -34.946 -24.553 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.763 -34.056 -25.952 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.246 -35.770 -26.220 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.154 -35.006 -24.930 1.00 0.00 H new ATOM 801 N THR A 52 42.545 -32.186 -23.052 1.00 0.00 N ATOM 802 CA THR A 52 41.699 -31.003 -22.840 1.00 0.00 C ATOM 803 C THR A 52 42.510 -29.835 -22.237 1.00 0.00 C ATOM 804 O THR A 52 42.187 -28.663 -22.414 1.00 0.00 O ATOM 805 CB THR A 52 40.408 -31.296 -22.054 1.00 0.00 C ATOM 806 OG1 THR A 52 40.302 -32.687 -21.779 1.00 0.00 O ATOM 807 CG2 THR A 52 39.166 -30.891 -22.853 1.00 0.00 C ATOM 0 H THR A 52 42.387 -32.967 -22.415 1.00 0.00 H new ATOM 0 HA THR A 52 41.357 -30.691 -23.827 1.00 0.00 H new ATOM 0 HB THR A 52 40.460 -30.720 -21.130 1.00 0.00 H new ATOM 0 HG1 THR A 52 39.482 -33.039 -22.184 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.271 -31.111 -22.271 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.205 -29.823 -23.070 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.137 -31.450 -23.788 1.00 0.00 H new ATOM 815 N GLU A 53 43.579 -30.147 -21.513 1.00 0.00 N ATOM 816 CA GLU A 53 44.585 -29.103 -21.245 1.00 0.00 C ATOM 817 C GLU A 53 45.111 -28.505 -22.568 1.00 0.00 C ATOM 818 O GLU A 53 45.379 -27.307 -22.679 1.00 0.00 O ATOM 819 CB GLU A 53 45.755 -29.601 -20.388 1.00 0.00 C ATOM 820 CG GLU A 53 45.653 -29.118 -18.937 1.00 0.00 C ATOM 821 CD GLU A 53 46.760 -29.720 -18.087 1.00 0.00 C ATOM 822 OE1 GLU A 53 46.759 -30.952 -17.882 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.643 -28.966 -17.622 1.00 0.00 O ATOM 0 H GLU A 53 43.775 -31.065 -21.114 1.00 0.00 H new ATOM 0 HA GLU A 53 44.079 -28.328 -20.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.779 -30.691 -20.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.694 -29.254 -20.820 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.716 -28.030 -18.906 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.682 -29.393 -18.525 1.00 0.00 H new ATOM 830 N ALA A 54 45.265 -29.370 -23.574 1.00 0.00 N ATOM 831 CA ALA A 54 45.499 -28.879 -24.940 1.00 0.00 C ATOM 832 C ALA A 54 44.450 -27.849 -25.358 1.00 0.00 C ATOM 833 O ALA A 54 44.788 -26.770 -25.840 1.00 0.00 O ATOM 834 CB ALA A 54 45.526 -29.995 -25.991 1.00 0.00 C ATOM 0 H ALA A 54 45.234 -30.385 -23.478 1.00 0.00 H new ATOM 0 HA ALA A 54 46.485 -28.417 -24.904 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.703 -29.563 -26.976 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.325 -30.698 -25.755 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.570 -30.518 -25.991 1.00 0.00 H new ATOM 840 N ILE A 55 43.167 -28.182 -25.168 1.00 0.00 N ATOM 841 CA ILE A 55 42.104 -27.157 -25.369 1.00 0.00 C ATOM 842 C ILE A 55 42.547 -25.804 -24.780 1.00 0.00 C ATOM 843 O ILE A 55 42.657 -24.781 -25.465 1.00 0.00 O ATOM 844 CB ILE A 55 40.714 -27.433 -24.701 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.891 -28.535 -25.324 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.882 -26.166 -24.730 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.515 -28.685 -24.680 1.00 0.00 C ATOM 0 H ILE A 55 42.837 -29.106 -24.888 1.00 0.00 H new ATOM 0 HA ILE A 55 41.974 -27.173 -26.451 1.00 0.00 H new ATOM 0 HB ILE A 55 40.957 -27.765 -23.692 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.769 -28.333 -26.388 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.431 -29.478 -25.239 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.914 -26.356 -24.266 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.399 -25.378 -24.182 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.733 -25.852 -25.763 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.970 -29.492 -25.170 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.632 -28.916 -23.621 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.959 -27.754 -24.789 1.00 0.00 H new ATOM 859 N MET A 56 42.782 -25.840 -23.474 1.00 0.00 N ATOM 860 CA MET A 56 43.022 -24.604 -22.723 1.00 0.00 C ATOM 861 C MET A 56 44.220 -23.781 -23.199 1.00 0.00 C ATOM 862 O MET A 56 44.209 -22.549 -23.165 1.00 0.00 O ATOM 863 CB MET A 56 43.130 -24.934 -21.232 1.00 0.00 C ATOM 864 CG MET A 56 41.820 -25.545 -20.724 1.00 0.00 C ATOM 865 SD MET A 56 42.147 -27.037 -19.762 1.00 0.00 S ATOM 866 CE MET A 56 40.546 -27.868 -19.920 1.00 0.00 C ATOM 0 H MET A 56 42.812 -26.694 -22.916 1.00 0.00 H new ATOM 0 HA MET A 56 42.165 -23.957 -22.910 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.952 -25.630 -21.066 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.359 -24.030 -20.669 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.288 -24.819 -20.110 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.173 -25.784 -21.568 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.682 -28.944 -19.810 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.870 -27.507 -19.145 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.120 -27.654 -20.900 1.00 0.00 H new ATOM 876 N LYS A 57 45.258 -24.463 -23.656 1.00 0.00 N ATOM 877 CA LYS A 57 46.446 -23.733 -24.126 1.00 0.00 C ATOM 878 C LYS A 57 46.373 -23.302 -25.610 1.00 0.00 C ATOM 879 O LYS A 57 46.996 -22.320 -26.015 1.00 0.00 O ATOM 880 CB LYS A 57 47.762 -24.443 -23.726 1.00 0.00 C ATOM 881 CG LYS A 57 48.612 -24.941 -24.908 1.00 0.00 C ATOM 882 CD LYS A 57 48.041 -26.232 -25.499 1.00 0.00 C ATOM 883 CE LYS A 57 48.622 -26.506 -26.887 1.00 0.00 C ATOM 884 NZ LYS A 57 47.922 -27.643 -27.514 1.00 0.00 N ATOM 0 H LYS A 57 45.314 -25.480 -23.715 1.00 0.00 H new ATOM 0 HA LYS A 57 46.452 -22.784 -23.591 1.00 0.00 H new ATOM 0 HB2 LYS A 57 48.362 -23.756 -23.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 47.520 -25.292 -23.087 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.652 -24.172 -25.679 1.00 0.00 H new ATOM 0 HG3 LYS A 57 49.636 -25.112 -24.576 1.00 0.00 H new ATOM 0 HD2 LYS A 57 48.264 -27.068 -24.837 1.00 0.00 H new ATOM 0 HD3 LYS A 57 46.956 -26.157 -25.564 1.00 0.00 H new ATOM 0 HE2 LYS A 57 48.524 -25.619 -27.513 1.00 0.00 H new ATOM 0 HE3 LYS A 57 49.687 -26.724 -26.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.253 -27.757 -28.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 48.121 -28.512 -26.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 46.898 -27.463 -27.513 1.00 0.00 H new ATOM 898 N GLU A 58 45.605 -24.024 -26.424 1.00 0.00 N ATOM 899 CA GLU A 58 45.585 -23.718 -27.866 1.00 0.00 C ATOM 900 C GLU A 58 44.472 -22.764 -28.331 1.00 0.00 C ATOM 901 O GLU A 58 44.561 -22.194 -29.419 1.00 0.00 O ATOM 902 CB GLU A 58 45.556 -24.994 -28.713 1.00 0.00 C ATOM 903 CG GLU A 58 44.220 -25.736 -28.574 1.00 0.00 C ATOM 904 CD GLU A 58 44.349 -27.188 -29.015 1.00 0.00 C ATOM 905 OE1 GLU A 58 45.335 -27.852 -28.622 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.462 -27.675 -29.748 1.00 0.00 O ATOM 0 H GLU A 58 45.007 -24.797 -26.132 1.00 0.00 H new ATOM 0 HA GLU A 58 46.519 -23.179 -28.023 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.724 -24.740 -29.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 46.371 -25.651 -28.409 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.885 -25.696 -27.538 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.459 -25.237 -29.174 1.00 0.00 H new ATOM 913 N ALA A 59 43.413 -22.606 -27.533 1.00 0.00 N ATOM 914 CA ALA A 59 42.294 -21.749 -27.954 1.00 0.00 C ATOM 915 C ALA A 59 42.740 -20.442 -28.609 1.00 0.00 C ATOM 916 O ALA A 59 42.598 -20.257 -29.817 1.00 0.00 O ATOM 917 CB ALA A 59 41.325 -21.496 -26.793 1.00 0.00 C ATOM 0 H ALA A 59 43.304 -23.044 -26.618 1.00 0.00 H new ATOM 0 HA ALA A 59 41.763 -22.301 -28.730 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.508 -20.860 -27.133 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.923 -22.446 -26.441 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.854 -21.002 -25.978 1.00 0.00 H new ATOM 923 N ARG A 60 43.294 -19.534 -27.818 1.00 0.00 N ATOM 924 CA ARG A 60 43.875 -18.343 -28.438 1.00 0.00 C ATOM 925 C ARG A 60 45.070 -17.798 -27.662 1.00 0.00 C ATOM 926 O ARG A 60 44.943 -16.905 -26.824 1.00 0.00 O ATOM 927 CB ARG A 60 42.828 -17.272 -28.717 1.00 0.00 C ATOM 928 CG ARG A 60 43.149 -16.522 -30.017 1.00 0.00 C ATOM 929 CD ARG A 60 43.104 -17.430 -31.256 1.00 0.00 C ATOM 930 NE ARG A 60 42.406 -16.754 -32.360 1.00 0.00 N ATOM 931 CZ ARG A 60 42.355 -17.332 -33.554 1.00 0.00 C ATOM 932 NH1 ARG A 60 42.378 -18.648 -33.671 1.00 0.00 N ATOM 933 NH2 ARG A 60 42.253 -16.586 -34.633 1.00 0.00 N ATOM 0 H ARG A 60 43.355 -19.586 -26.801 1.00 0.00 H new ATOM 0 HA ARG A 60 44.264 -18.661 -29.405 1.00 0.00 H new ATOM 0 HB2 ARG A 60 41.842 -17.731 -28.791 1.00 0.00 H new ATOM 0 HB3 ARG A 60 42.791 -16.568 -27.886 1.00 0.00 H new ATOM 0 HG2 ARG A 60 42.438 -15.705 -30.145 1.00 0.00 H new ATOM 0 HG3 ARG A 60 44.139 -16.073 -29.937 1.00 0.00 H new ATOM 0 HD2 ARG A 60 44.118 -17.689 -31.562 1.00 0.00 H new ATOM 0 HD3 ARG A 60 42.596 -18.363 -31.013 1.00 0.00 H new ATOM 0 HE ARG A 60 41.964 -15.847 -32.209 1.00 0.00 H new ATOM 0 HH11 ARG A 60 42.436 -19.233 -32.838 1.00 0.00 H new ATOM 0 HH12 ARG A 60 42.338 -19.079 -34.595 1.00 0.00 H new ATOM 0 HH21 ARG A 60 42.214 -15.570 -34.549 1.00 0.00 H new ATOM 0 HH22 ARG A 60 42.213 -17.023 -35.554 1.00 0.00 H new ATOM 1031 N LYS A 67 44.403 -12.223 -30.269 1.00 0.00 N ATOM 1032 CA LYS A 67 44.527 -12.764 -28.902 1.00 0.00 C ATOM 1033 C LYS A 67 43.209 -13.355 -28.371 1.00 0.00 C ATOM 1034 O LYS A 67 43.083 -13.643 -27.179 1.00 0.00 O ATOM 1035 CB LYS A 67 45.103 -11.761 -27.881 1.00 0.00 C ATOM 1036 CG LYS A 67 44.220 -10.515 -27.732 1.00 0.00 C ATOM 1037 CD LYS A 67 44.789 -9.576 -26.666 1.00 0.00 C ATOM 1038 CE LYS A 67 43.867 -8.374 -26.452 1.00 0.00 C ATOM 1039 NZ LYS A 67 44.444 -7.475 -25.436 1.00 0.00 N ATOM 0 HA LYS A 67 45.251 -13.572 -29.005 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.205 -12.250 -26.912 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.103 -11.460 -28.194 1.00 0.00 H new ATOM 0 HG2 LYS A 67 44.154 -9.993 -28.687 1.00 0.00 H new ATOM 0 HG3 LYS A 67 43.207 -10.811 -27.460 1.00 0.00 H new ATOM 0 HD2 LYS A 67 44.913 -10.117 -25.728 1.00 0.00 H new ATOM 0 HD3 LYS A 67 45.778 -9.232 -26.969 1.00 0.00 H new ATOM 0 HE2 LYS A 67 43.731 -7.837 -27.391 1.00 0.00 H new ATOM 0 HE3 LYS A 67 42.881 -8.713 -26.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 43.813 -6.660 -25.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 44.552 -7.989 -24.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 45.375 -7.140 -25.757 1.00 0.00 H new ATOM 1053 N ASN A 68 42.214 -13.551 -29.239 1.00 0.00 N ATOM 1054 CA ASN A 68 40.936 -14.058 -28.731 1.00 0.00 C ATOM 1055 C ASN A 68 40.157 -14.823 -29.785 1.00 0.00 C ATOM 1056 O ASN A 68 40.289 -14.591 -30.988 1.00 0.00 O ATOM 1057 CB ASN A 68 40.008 -12.999 -28.101 1.00 0.00 C ATOM 1058 CG ASN A 68 40.415 -11.541 -28.369 1.00 0.00 C ATOM 1059 OD1 ASN A 68 40.923 -11.189 -29.432 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.147 -10.661 -27.422 1.00 0.00 N ATOM 0 H ASN A 68 42.259 -13.378 -30.243 1.00 0.00 H new ATOM 0 HA ASN A 68 41.244 -14.728 -27.928 1.00 0.00 H new ATOM 0 HB2 ASN A 68 38.997 -13.154 -28.477 1.00 0.00 H new ATOM 0 HB3 ASN A 68 39.976 -13.160 -27.023 1.00 0.00 H new ATOM 0 HD21 ASN A 68 40.361 -9.674 -27.567 1.00 0.00 H new ATOM 0 HD22 ASN A 68 39.725 -10.968 -26.545 1.00 0.00 H new ATOM 1067 N ILE A 69 39.330 -15.752 -29.324 1.00 0.00 N ATOM 1068 CA ILE A 69 38.529 -16.499 -30.287 1.00 0.00 C ATOM 1069 C ILE A 69 37.108 -15.994 -30.400 1.00 0.00 C ATOM 1070 O ILE A 69 36.270 -16.093 -29.503 1.00 0.00 O ATOM 1071 CB ILE A 69 38.531 -18.009 -30.154 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.982 -18.478 -28.794 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.944 -18.535 -30.401 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.188 -19.977 -28.565 1.00 0.00 C ATOM 0 H ILE A 69 39.198 -15.999 -28.343 1.00 0.00 H new ATOM 0 HA ILE A 69 39.064 -16.293 -31.214 1.00 0.00 H new ATOM 0 HB ILE A 69 37.858 -18.421 -30.906 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.473 -17.921 -27.996 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.918 -18.248 -28.736 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.950 -19.621 -30.306 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.266 -18.257 -31.405 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.626 -18.103 -29.669 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.783 -20.255 -27.592 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.675 -20.538 -29.346 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.253 -20.206 -28.594 1.00 0.00 H new ATOM 1086 N GLY A 70 36.870 -15.464 -31.566 1.00 0.00 N ATOM 1087 CA GLY A 70 35.545 -14.924 -31.865 1.00 0.00 C ATOM 1088 C GLY A 70 34.512 -16.010 -32.199 1.00 0.00 C ATOM 1089 O GLY A 70 34.557 -17.119 -31.667 1.00 0.00 O ATOM 0 H GLY A 70 37.551 -15.388 -32.321 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.193 -14.347 -31.010 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.622 -14.234 -32.705 1.00 0.00 H new ATOM 1093 N PRO A 71 33.523 -15.638 -33.027 1.00 0.00 N ATOM 1094 CA PRO A 71 32.341 -16.494 -33.256 1.00 0.00 C ATOM 1095 C PRO A 71 32.530 -18.014 -33.110 1.00 0.00 C ATOM 1096 O PRO A 71 31.820 -18.664 -32.342 1.00 0.00 O ATOM 1097 CB PRO A 71 31.869 -16.149 -34.676 1.00 0.00 C ATOM 1098 CG PRO A 71 32.825 -15.104 -35.250 1.00 0.00 C ATOM 1099 CD PRO A 71 33.840 -14.772 -34.163 1.00 0.00 C ATOM 0 HA PRO A 71 31.621 -16.279 -32.467 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.859 -17.041 -35.302 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.850 -15.763 -34.656 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.326 -15.488 -36.139 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.280 -14.210 -35.553 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.857 -14.948 -34.514 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.777 -13.721 -33.880 1.00 0.00 H new ATOM 1107 N GLU A 72 33.455 -18.599 -33.860 1.00 0.00 N ATOM 1108 CA GLU A 72 33.414 -20.061 -34.013 1.00 0.00 C ATOM 1109 C GLU A 72 34.401 -20.920 -33.199 1.00 0.00 C ATOM 1110 O GLU A 72 33.981 -21.903 -32.592 1.00 0.00 O ATOM 1111 CB GLU A 72 33.292 -20.481 -35.480 1.00 0.00 C ATOM 1112 CG GLU A 72 34.608 -20.339 -36.268 1.00 0.00 C ATOM 1113 CD GLU A 72 35.031 -18.884 -36.427 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.541 -18.213 -37.361 1.00 0.00 O ATOM 1115 OE2 GLU A 72 35.854 -18.403 -35.617 1.00 0.00 O ATOM 0 H GLU A 72 34.209 -18.121 -34.352 1.00 0.00 H new ATOM 0 HA GLU A 72 32.487 -20.317 -33.500 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.959 -21.518 -35.527 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.522 -19.877 -35.960 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.397 -20.891 -35.757 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.490 -20.791 -37.253 1.00 0.00 H new ATOM 1122 N GLU A 73 35.705 -20.607 -33.198 1.00 0.00 N ATOM 1123 CA GLU A 73 36.672 -21.510 -32.526 1.00 0.00 C ATOM 1124 C GLU A 73 36.247 -21.965 -31.124 1.00 0.00 C ATOM 1125 O GLU A 73 36.514 -23.090 -30.712 1.00 0.00 O ATOM 1126 CB GLU A 73 38.105 -20.940 -32.533 1.00 0.00 C ATOM 1127 CG GLU A 73 39.121 -21.772 -31.709 1.00 0.00 C ATOM 1128 CD GLU A 73 40.453 -21.877 -32.438 1.00 0.00 C ATOM 1129 OE1 GLU A 73 41.216 -20.886 -32.447 1.00 0.00 O ATOM 1130 OE2 GLU A 73 40.742 -22.950 -33.008 1.00 0.00 O ATOM 0 H GLU A 73 36.109 -19.777 -33.631 1.00 0.00 H new ATOM 0 HA GLU A 73 36.671 -22.416 -33.133 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.454 -20.877 -33.564 1.00 0.00 H new ATOM 0 HB3 GLU A 73 38.082 -19.923 -32.141 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.271 -21.309 -30.734 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.720 -22.770 -31.530 1.00 0.00 H new ATOM 1137 N TRP A 74 35.551 -21.109 -30.397 1.00 0.00 N ATOM 1138 CA TRP A 74 35.089 -21.505 -29.065 1.00 0.00 C ATOM 1139 C TRP A 74 34.039 -22.637 -29.101 1.00 0.00 C ATOM 1140 O TRP A 74 34.205 -23.681 -28.458 1.00 0.00 O ATOM 1141 CB TRP A 74 34.750 -20.213 -28.285 1.00 0.00 C ATOM 1142 CG TRP A 74 34.148 -20.357 -26.896 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.913 -19.734 -26.696 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.945 -19.972 -25.840 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.952 -18.873 -25.592 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.228 -19.061 -25.056 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.817 -20.840 -25.246 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.425 -19.038 -23.709 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 36.039 -20.746 -23.909 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.311 -19.896 -23.143 1.00 0.00 C ATOM 0 H TRP A 74 35.296 -20.165 -30.687 1.00 0.00 H new ATOM 0 HA TRP A 74 35.870 -22.004 -28.491 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.665 -19.628 -28.194 1.00 0.00 H new ATOM 0 HB3 TRP A 74 34.057 -19.629 -28.891 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.041 -19.896 -27.313 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.217 -18.251 -25.256 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.324 -21.592 -25.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.878 -18.339 -23.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.804 -21.355 -23.451 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.438 -19.902 -22.070 1.00 0.00 H new ATOM 1161 N LEU A 75 33.021 -22.502 -29.952 1.00 0.00 N ATOM 1162 CA LEU A 75 32.082 -23.625 -30.122 1.00 0.00 C ATOM 1163 C LEU A 75 32.676 -24.810 -30.893 1.00 0.00 C ATOM 1164 O LEU A 75 32.567 -25.953 -30.454 1.00 0.00 O ATOM 1165 CB LEU A 75 30.744 -23.196 -30.743 1.00 0.00 C ATOM 1166 CG LEU A 75 29.510 -23.856 -30.110 1.00 0.00 C ATOM 1167 CD1 LEU A 75 29.548 -25.384 -30.115 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.342 -23.371 -28.684 1.00 0.00 C ATOM 0 H LEU A 75 32.825 -21.672 -30.512 1.00 0.00 H new ATOM 0 HA LEU A 75 31.885 -23.969 -29.107 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.647 -22.114 -30.656 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.760 -23.430 -31.808 1.00 0.00 H new ATOM 0 HG LEU A 75 28.663 -23.561 -30.730 1.00 0.00 H new ATOM 0 HD11 LEU A 75 28.641 -25.772 -29.651 1.00 0.00 H new ATOM 0 HD12 LEU A 75 29.612 -25.743 -31.142 1.00 0.00 H new ATOM 0 HD13 LEU A 75 30.418 -25.728 -29.556 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.465 -23.843 -28.240 1.00 0.00 H new ATOM 0 HD22 LEU A 75 30.227 -23.632 -28.104 1.00 0.00 H new ATOM 0 HD23 LEU A 75 29.213 -22.289 -28.681 1.00 0.00 H new ATOM 1180 N THR A 76 33.296 -24.571 -32.051 1.00 0.00 N ATOM 1181 CA THR A 76 33.903 -25.704 -32.770 1.00 0.00 C ATOM 1182 C THR A 76 34.971 -26.430 -31.952 1.00 0.00 C ATOM 1183 O THR A 76 35.085 -27.654 -32.004 1.00 0.00 O ATOM 1184 CB THR A 76 34.427 -25.382 -34.175 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.343 -24.985 -35.005 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.489 -24.281 -34.176 1.00 0.00 C ATOM 0 H THR A 76 33.392 -23.658 -32.496 1.00 0.00 H new ATOM 0 HA THR A 76 33.060 -26.380 -32.914 1.00 0.00 H new ATOM 0 HB THR A 76 34.898 -26.288 -34.556 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.677 -24.777 -35.903 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.822 -24.097 -35.198 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.065 -23.366 -33.762 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.338 -24.594 -33.569 1.00 0.00 H new ATOM 1194 N LEU A 77 35.770 -25.689 -31.191 1.00 0.00 N ATOM 1195 CA LEU A 77 36.704 -26.353 -30.289 1.00 0.00 C ATOM 1196 C LEU A 77 35.983 -27.236 -29.262 1.00 0.00 C ATOM 1197 O LEU A 77 36.377 -28.377 -29.028 1.00 0.00 O ATOM 1198 CB LEU A 77 37.666 -25.366 -29.621 1.00 0.00 C ATOM 1199 CG LEU A 77 38.636 -26.070 -28.671 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.986 -25.369 -28.683 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.080 -26.040 -27.255 1.00 0.00 C ATOM 0 H LEU A 77 35.792 -24.669 -31.178 1.00 0.00 H new ATOM 0 HA LEU A 77 37.313 -27.015 -30.904 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.230 -24.834 -30.387 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.095 -24.619 -29.069 1.00 0.00 H new ATOM 0 HG LEU A 77 38.759 -27.101 -29.002 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.667 -25.880 -28.003 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.398 -25.390 -29.692 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.862 -24.335 -28.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.774 -26.543 -26.581 1.00 0.00 H new ATOM 0 HD22 LEU A 77 37.950 -25.006 -26.937 1.00 0.00 H new ATOM 0 HD23 LEU A 77 37.117 -26.550 -27.231 1.00 0.00 H new ATOM 1213 N CYS A 78 34.898 -26.734 -28.665 1.00 0.00 N ATOM 1214 CA CYS A 78 34.180 -27.575 -27.693 1.00 0.00 C ATOM 1215 C CYS A 78 33.482 -28.747 -28.412 1.00 0.00 C ATOM 1216 O CYS A 78 33.485 -29.873 -27.915 1.00 0.00 O ATOM 1217 CB CYS A 78 33.126 -26.608 -27.123 1.00 0.00 C ATOM 1218 SG CYS A 78 31.563 -27.503 -26.835 1.00 0.00 S ATOM 0 H CYS A 78 34.511 -25.803 -28.822 1.00 0.00 H new ATOM 0 HA CYS A 78 34.830 -28.014 -26.936 1.00 0.00 H new ATOM 0 HB2 CYS A 78 33.484 -26.173 -26.190 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.962 -25.784 -27.817 1.00 0.00 H new ATOM 0 HG CYS A 78 30.801 -26.803 -26.048 1.00 0.00 H new ATOM 1224 N SER A 79 32.882 -28.508 -29.578 1.00 0.00 N ATOM 1225 CA SER A 79 32.239 -29.619 -30.293 1.00 0.00 C ATOM 1226 C SER A 79 33.222 -30.721 -30.705 1.00 0.00 C ATOM 1227 O SER A 79 32.982 -31.909 -30.485 1.00 0.00 O ATOM 1228 CB SER A 79 31.467 -29.144 -31.524 1.00 0.00 C ATOM 1229 OG SER A 79 30.520 -28.149 -31.161 1.00 0.00 O ATOM 0 H SER A 79 32.825 -27.598 -30.035 1.00 0.00 H new ATOM 0 HA SER A 79 31.538 -30.044 -29.575 1.00 0.00 H new ATOM 0 HB2 SER A 79 32.160 -28.743 -32.263 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.957 -29.988 -31.989 1.00 0.00 H new ATOM 0 HG SER A 79 30.034 -27.853 -31.959 1.00 0.00 H new ATOM 1235 N LYS A 80 34.342 -30.321 -31.303 1.00 0.00 N ATOM 1236 CA LYS A 80 35.332 -31.313 -31.732 1.00 0.00 C ATOM 1237 C LYS A 80 36.067 -31.989 -30.564 1.00 0.00 C ATOM 1238 O LYS A 80 36.388 -33.176 -30.625 1.00 0.00 O ATOM 1239 CB LYS A 80 36.316 -30.744 -32.768 1.00 0.00 C ATOM 1240 CG LYS A 80 35.722 -30.758 -34.187 1.00 0.00 C ATOM 1241 CD LYS A 80 34.874 -29.510 -34.465 1.00 0.00 C ATOM 1242 CE LYS A 80 33.950 -29.738 -35.663 1.00 0.00 C ATOM 1243 NZ LYS A 80 33.431 -28.451 -36.162 1.00 0.00 N ATOM 0 H LYS A 80 34.585 -29.350 -31.498 1.00 0.00 H new ATOM 0 HA LYS A 80 34.759 -32.099 -32.223 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.581 -29.723 -32.495 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.237 -31.327 -32.753 1.00 0.00 H new ATOM 0 HG2 LYS A 80 36.529 -30.819 -34.918 1.00 0.00 H new ATOM 0 HG3 LYS A 80 35.108 -31.650 -34.315 1.00 0.00 H new ATOM 0 HD2 LYS A 80 34.281 -29.264 -33.584 1.00 0.00 H new ATOM 0 HD3 LYS A 80 35.525 -28.658 -34.659 1.00 0.00 H new ATOM 0 HE2 LYS A 80 34.493 -30.251 -36.457 1.00 0.00 H new ATOM 0 HE3 LYS A 80 33.121 -30.384 -35.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 32.805 -28.621 -36.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 32.896 -27.976 -35.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 34.225 -27.847 -36.456 1.00 0.00 H new ATOM 1257 N TRP A 81 36.358 -31.241 -29.500 1.00 0.00 N ATOM 1258 CA TRP A 81 36.912 -31.889 -28.301 1.00 0.00 C ATOM 1259 C TRP A 81 35.947 -32.904 -27.680 1.00 0.00 C ATOM 1260 O TRP A 81 36.342 -33.986 -27.245 1.00 0.00 O ATOM 1261 CB TRP A 81 37.343 -30.876 -27.220 1.00 0.00 C ATOM 1262 CG TRP A 81 38.850 -30.793 -27.098 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.665 -30.400 -28.146 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.571 -31.647 -26.321 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.907 -31.065 -28.093 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.812 -31.830 -26.917 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.996 -32.653 -25.603 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.431 -33.033 -26.784 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.712 -33.766 -25.334 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.924 -33.953 -25.914 1.00 0.00 C ATOM 0 H TRP A 81 36.229 -30.231 -29.436 1.00 0.00 H new ATOM 0 HA TRP A 81 37.797 -32.418 -28.655 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.943 -29.892 -27.464 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.916 -31.165 -26.260 1.00 0.00 H new ATOM 0 HD1 TRP A 81 39.387 -29.681 -28.902 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.686 -31.006 -28.749 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.978 -32.561 -25.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.315 -33.258 -27.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.319 -34.509 -24.656 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.494 -34.841 -25.684 1.00 0.00 H new ATOM 1281 N VAL A 82 34.671 -32.545 -27.632 1.00 0.00 N ATOM 1282 CA VAL A 82 33.694 -33.454 -27.016 1.00 0.00 C ATOM 1283 C VAL A 82 33.282 -34.588 -27.970 1.00 0.00 C ATOM 1284 O VAL A 82 33.784 -35.709 -27.873 1.00 0.00 O ATOM 1285 CB VAL A 82 32.478 -32.698 -26.433 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.462 -33.663 -25.810 1.00 0.00 C ATOM 1287 CG2 VAL A 82 32.932 -31.707 -25.359 1.00 0.00 C ATOM 0 H VAL A 82 34.292 -31.670 -27.994 1.00 0.00 H new ATOM 0 HA VAL A 82 34.192 -33.927 -26.170 1.00 0.00 H new ATOM 0 HB VAL A 82 32.003 -32.167 -27.258 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.621 -33.097 -25.410 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.104 -34.356 -26.571 1.00 0.00 H new ATOM 0 HG13 VAL A 82 31.938 -34.223 -25.005 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.065 -31.182 -24.958 1.00 0.00 H new ATOM 0 HG22 VAL A 82 33.434 -32.246 -24.555 1.00 0.00 H new ATOM 0 HG23 VAL A 82 33.621 -30.986 -25.798 1.00 0.00 H new