USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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: B 87 HIS : no HD1:sc= -1.84 K(o=-2.9,f=-4.2!) USER MOD Set 1.2: B 90 ASN : amide:sc= -1.03 X(o=-2.9,f=-2.7) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.101 (180deg=-0.49) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0133 (180deg=-0.185) USER MOD Single : A 51 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.51) USER MOD Single : A 53 SER OG : rot 100:sc= 0 USER MOD Single : A 55 SER OG : rot 85:sc= 1.09 USER MOD Single : A 56 GLN : amide:sc= 0.578 K(o=0.58,f=-3.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc=-0.000209 (180deg=-0.0565) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.846 K(o=-0.85,f=-1.5) USER MOD Single : A 73 SER OG : rot 71:sc= 1.1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -110:sc= -0.975 (180deg=-3.13!) USER MOD Single : A 83 MET CE :methyl 164:sc= -0.18 (180deg=-0.651) USER MOD Single : A 84 THR OG1 : rot 86:sc= 0.396 USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.14) USER MOD Single : A 87 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-5.5!) USER MOD Single : A 90 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.052) USER MOD Single : B 51 ASN : amide:sc= 0.523 K(o=0.52,f=-0.014) USER MOD Single : B 53 SER OG : rot 89:sc= 1.23 USER MOD Single : B 55 SER OG : rot -83:sc= 0.901 USER MOD Single : B 56 GLN : amide:sc= 0.365 K(o=0.37,f=-0.72) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 90:sc= 1.24 USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ 171:sc= 0.548 (180deg=0.515) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 HIS : no HD1:sc= -0.753 X(o=-0.75,f=-0.32) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000993) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 169:sc= -1.99 (180deg=-2.2!) USER MOD Single : B 84 THR OG1 : rot 77:sc= -0.633! USER MOD Single : B 86 LYS NZ :NH3+ -151:sc= 1.23 (180deg=1.18) USER MOD Single : B 92 GLN : amide:sc= -0.0877 K(o=-0.088,f=-1.5!) USER MOD Single : B 95 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -19.368 3.099 11.186 1.00 0.00 N ATOM 269 CA MET A 42 -19.293 2.007 10.216 1.00 0.00 C ATOM 270 C MET A 42 -17.897 1.818 9.709 1.00 0.00 C ATOM 271 O MET A 42 -17.414 0.683 9.603 1.00 0.00 O ATOM 272 CB MET A 42 -20.234 2.223 9.045 1.00 0.00 C ATOM 273 CG MET A 42 -21.693 2.194 9.422 1.00 0.00 C ATOM 274 SD MET A 42 -22.225 0.591 10.092 1.00 0.00 S ATOM 275 CE MET A 42 -21.897 -0.511 8.703 1.00 0.00 C ATOM 0 HA MET A 42 -19.602 1.105 10.745 1.00 0.00 H new ATOM 0 HB2 MET A 42 -20.007 3.183 8.582 1.00 0.00 H new ATOM 0 HB3 MET A 42 -20.047 1.455 8.295 1.00 0.00 H new ATOM 0 HG2 MET A 42 -21.887 2.972 10.161 1.00 0.00 H new ATOM 0 HG3 MET A 42 -22.294 2.431 8.544 1.00 0.00 H new ATOM 0 HE1 MET A 42 -22.439 -1.446 8.845 1.00 0.00 H new ATOM 0 HE2 MET A 42 -22.225 -0.038 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 42 -20.828 -0.716 8.646 1.00 0.00 H new ATOM 285 N GLU A 43 -17.223 2.916 9.432 1.00 0.00 N ATOM 286 CA GLU A 43 -15.877 2.819 8.936 1.00 0.00 C ATOM 287 C GLU A 43 -14.935 2.420 10.044 1.00 0.00 C ATOM 288 O GLU A 43 -13.937 1.785 9.791 1.00 0.00 O ATOM 289 CB GLU A 43 -15.400 4.083 8.194 1.00 0.00 C ATOM 290 CG GLU A 43 -15.293 5.349 9.026 1.00 0.00 C ATOM 291 CD GLU A 43 -14.831 6.522 8.195 1.00 0.00 C ATOM 292 OE1 GLU A 43 -15.672 7.161 7.507 1.00 0.00 O ATOM 293 OE2 GLU A 43 -13.621 6.815 8.187 1.00 0.00 O ATOM 0 H GLU A 43 -17.581 3.865 9.541 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.874 2.033 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.423 3.876 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -16.084 4.273 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.262 5.576 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.596 5.187 9.848 1.00 0.00 H new ATOM 300 N LYS A 44 -15.297 2.733 11.285 1.00 0.00 N ATOM 301 CA LYS A 44 -14.471 2.359 12.415 1.00 0.00 C ATOM 302 C LYS A 44 -14.598 0.864 12.656 1.00 0.00 C ATOM 303 O LYS A 44 -13.615 0.181 12.906 1.00 0.00 O ATOM 304 CB LYS A 44 -14.858 3.147 13.653 1.00 0.00 C ATOM 305 CG LYS A 44 -13.910 2.958 14.814 1.00 0.00 C ATOM 306 CD LYS A 44 -14.174 3.954 15.919 1.00 0.00 C ATOM 307 CE LYS A 44 -15.456 3.653 16.674 1.00 0.00 C ATOM 308 NZ LYS A 44 -15.350 2.402 17.456 1.00 0.00 N ATOM 0 H LYS A 44 -16.149 3.239 11.526 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.430 2.595 12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.902 4.206 13.400 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.861 2.852 13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.011 1.946 15.205 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.883 3.064 14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.336 3.951 16.616 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.232 4.956 15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.687 4.482 17.343 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.283 3.572 15.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.127 2.357 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.409 1.586 16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.439 2.383 17.958 1.00 0.00 H new ATOM 322 N ARG A 45 -15.825 0.369 12.532 1.00 0.00 N ATOM 323 CA ARG A 45 -16.128 -1.061 12.640 1.00 0.00 C ATOM 324 C ARG A 45 -15.376 -1.841 11.574 1.00 0.00 C ATOM 325 O ARG A 45 -14.829 -2.922 11.822 1.00 0.00 O ATOM 326 CB ARG A 45 -17.627 -1.290 12.468 1.00 0.00 C ATOM 327 CG ARG A 45 -18.478 -0.794 13.619 1.00 0.00 C ATOM 328 CD ARG A 45 -19.951 -0.829 13.265 1.00 0.00 C ATOM 329 NE ARG A 45 -20.404 -2.172 12.876 1.00 0.00 N ATOM 330 CZ ARG A 45 -21.683 -2.570 12.777 1.00 0.00 C ATOM 331 NH1 ARG A 45 -22.682 -1.738 13.092 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.949 -3.806 12.365 1.00 0.00 N ATOM 0 H ARG A 45 -16.645 0.949 12.353 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.816 -1.408 13.625 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.954 -0.796 11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.805 -2.357 12.335 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.298 -1.410 14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.187 0.224 13.877 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -20.535 -0.485 14.119 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -20.142 -0.134 12.448 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.684 -2.862 12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -22.476 -0.791 13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -23.650 -2.050 13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.186 -4.440 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.916 -4.120 12.286 1.00 0.00 H new ATOM 346 N ARG A 46 -15.353 -1.292 10.380 1.00 0.00 N ATOM 347 CA ARG A 46 -14.646 -1.909 9.294 1.00 0.00 C ATOM 348 C ARG A 46 -13.148 -1.845 9.534 1.00 0.00 C ATOM 349 O ARG A 46 -12.467 -2.838 9.407 1.00 0.00 O ATOM 350 CB ARG A 46 -15.013 -1.259 7.962 1.00 0.00 C ATOM 351 CG ARG A 46 -14.317 -1.881 6.762 1.00 0.00 C ATOM 352 CD ARG A 46 -14.768 -1.230 5.471 1.00 0.00 C ATOM 353 NE ARG A 46 -16.179 -1.514 5.177 1.00 0.00 N ATOM 354 CZ ARG A 46 -17.006 -0.733 4.473 1.00 0.00 C ATOM 355 NH1 ARG A 46 -16.585 0.412 3.940 1.00 0.00 N ATOM 356 NH2 ARG A 46 -18.251 -1.118 4.286 1.00 0.00 N ATOM 0 H ARG A 46 -15.819 -0.417 10.142 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.942 -2.957 9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -16.092 -1.328 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.764 -0.199 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.237 -1.775 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.530 -2.949 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.621 -0.152 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.147 -1.586 4.649 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.563 -2.385 5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.617 0.707 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.231 0.994 3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.575 -2.003 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.891 -0.531 3.751 1.00 0.00 H new ATOM 370 N ARG A 47 -12.672 -0.683 9.928 1.00 0.00 N ATOM 371 CA ARG A 47 -11.254 -0.419 10.148 1.00 0.00 C ATOM 372 C ARG A 47 -10.677 -1.281 11.258 1.00 0.00 C ATOM 373 O ARG A 47 -9.563 -1.780 11.131 1.00 0.00 O ATOM 374 CB ARG A 47 -11.063 1.056 10.434 1.00 0.00 C ATOM 375 CG ARG A 47 -9.636 1.532 10.534 1.00 0.00 C ATOM 376 CD ARG A 47 -9.624 3.043 10.607 1.00 0.00 C ATOM 377 NE ARG A 47 -10.244 3.636 9.407 1.00 0.00 N ATOM 378 CZ ARG A 47 -11.210 4.569 9.413 1.00 0.00 C ATOM 379 NH1 ARG A 47 -11.692 5.045 10.567 1.00 0.00 N ATOM 380 NH2 ARG A 47 -11.701 5.009 8.269 1.00 0.00 N ATOM 0 H ARG A 47 -13.267 0.125 10.110 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.706 -0.684 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.560 1.625 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.570 1.293 11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.159 1.109 11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.065 1.192 9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.160 3.372 11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.598 3.398 10.703 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.912 3.311 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.326 4.699 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.426 5.754 10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.347 4.640 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.435 5.718 8.268 1.00 0.00 H new ATOM 394 N ALA A 48 -11.446 -1.472 12.322 1.00 0.00 N ATOM 395 CA ALA A 48 -11.049 -2.316 13.418 1.00 0.00 C ATOM 396 C ALA A 48 -10.824 -3.700 12.889 1.00 0.00 C ATOM 397 O ALA A 48 -9.761 -4.276 13.094 1.00 0.00 O ATOM 398 CB ALA A 48 -12.116 -2.329 14.500 1.00 0.00 C ATOM 0 H ALA A 48 -12.363 -1.041 12.440 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.131 -1.933 13.864 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.796 -2.973 15.319 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.268 -1.316 14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.050 -2.707 14.085 1.00 0.00 H new ATOM 404 N ARG A 49 -11.804 -4.185 12.111 1.00 0.00 N ATOM 405 CA ARG A 49 -11.716 -5.492 11.496 1.00 0.00 C ATOM 406 C ARG A 49 -10.525 -5.572 10.545 1.00 0.00 C ATOM 407 O ARG A 49 -9.849 -6.572 10.502 1.00 0.00 O ATOM 408 CB ARG A 49 -13.015 -5.863 10.770 1.00 0.00 C ATOM 409 CG ARG A 49 -14.197 -6.134 11.684 1.00 0.00 C ATOM 410 CD ARG A 49 -15.453 -6.445 10.883 1.00 0.00 C ATOM 411 NE ARG A 49 -15.926 -5.279 10.122 1.00 0.00 N ATOM 412 CZ ARG A 49 -16.441 -5.313 8.872 1.00 0.00 C ATOM 413 NH1 ARG A 49 -16.550 -6.464 8.198 1.00 0.00 N ATOM 414 NH2 ARG A 49 -16.877 -4.190 8.314 1.00 0.00 N ATOM 0 H ARG A 49 -12.664 -3.679 11.900 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.564 -6.217 12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.278 -5.054 10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.834 -6.748 10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.966 -6.971 12.343 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.374 -5.267 12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.251 -7.267 10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.240 -6.780 11.559 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.860 -4.368 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.242 -7.337 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.941 -6.468 7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.822 -3.311 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.267 -4.207 7.372 1.00 0.00 H new ATOM 428 N ILE A 50 -10.274 -4.499 9.803 1.00 0.00 N ATOM 429 CA ILE A 50 -9.143 -4.421 8.887 1.00 0.00 C ATOM 430 C ILE A 50 -7.820 -4.611 9.627 1.00 0.00 C ATOM 431 O ILE A 50 -7.043 -5.500 9.303 1.00 0.00 O ATOM 432 CB ILE A 50 -9.121 -3.058 8.136 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.332 -2.952 7.211 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.821 -2.874 7.349 1.00 0.00 C ATOM 435 CD1 ILE A 50 -10.516 -1.601 6.582 1.00 0.00 C ATOM 0 H ILE A 50 -10.850 -3.658 9.820 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.263 -5.225 8.161 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.170 -2.260 8.877 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.237 -3.697 6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.229 -3.201 7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.839 -1.912 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.974 -2.905 8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.724 -3.674 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.398 -1.615 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.646 -0.851 7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.638 -1.355 5.985 1.00 0.00 H new ATOM 447 N ASN A 51 -7.609 -3.817 10.651 1.00 0.00 N ATOM 448 CA ASN A 51 -6.346 -3.808 11.381 1.00 0.00 C ATOM 449 C ASN A 51 -6.128 -5.091 12.080 1.00 0.00 C ATOM 450 O ASN A 51 -5.041 -5.669 11.992 1.00 0.00 O ATOM 451 CB ASN A 51 -6.293 -2.662 12.374 1.00 0.00 C ATOM 452 CG ASN A 51 -6.426 -1.318 11.715 1.00 0.00 C ATOM 453 OD1 ASN A 51 -5.989 -1.107 10.578 1.00 0.00 O ATOM 454 ND2 ASN A 51 -7.053 -0.409 12.398 1.00 0.00 N ATOM 0 H ASN A 51 -8.301 -3.158 11.007 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.550 -3.669 10.650 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.091 -2.784 13.106 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.351 -2.703 12.920 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.200 0.518 11.999 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.399 -0.622 13.334 1.00 0.00 H new ATOM 461 N GLU A 52 -7.153 -5.566 12.742 1.00 0.00 N ATOM 462 CA GLU A 52 -7.051 -6.817 13.463 1.00 0.00 C ATOM 463 C GLU A 52 -6.862 -8.001 12.538 1.00 0.00 C ATOM 464 O GLU A 52 -6.094 -8.923 12.847 1.00 0.00 O ATOM 465 CB GLU A 52 -8.220 -7.049 14.388 1.00 0.00 C ATOM 466 CG GLU A 52 -9.555 -7.183 13.725 1.00 0.00 C ATOM 467 CD GLU A 52 -10.615 -7.661 14.674 1.00 0.00 C ATOM 468 OE1 GLU A 52 -11.208 -6.836 15.387 1.00 0.00 O ATOM 469 OE2 GLU A 52 -10.868 -8.888 14.746 1.00 0.00 O ATOM 0 H GLU A 52 -8.064 -5.111 12.799 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.156 -6.728 14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.029 -7.954 14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.268 -6.223 15.097 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.850 -6.220 13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.476 -7.880 12.891 1.00 0.00 H new ATOM 476 N SER A 53 -7.526 -7.973 11.405 1.00 0.00 N ATOM 477 CA SER A 53 -7.431 -9.048 10.473 1.00 0.00 C ATOM 478 C SER A 53 -6.051 -9.051 9.846 1.00 0.00 C ATOM 479 O SER A 53 -5.387 -10.049 9.877 1.00 0.00 O ATOM 480 CB SER A 53 -8.533 -8.973 9.413 1.00 0.00 C ATOM 481 OG SER A 53 -8.550 -10.121 8.604 1.00 0.00 O ATOM 0 H SER A 53 -8.137 -7.210 11.115 1.00 0.00 H new ATOM 0 HA SER A 53 -7.577 -9.989 11.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.501 -8.856 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.381 -8.091 8.791 1.00 0.00 H new ATOM 0 HG SER A 53 -9.257 -10.726 8.910 1.00 0.00 H new ATOM 487 N LEU A 54 -5.595 -7.885 9.374 1.00 0.00 N ATOM 488 CA LEU A 54 -4.286 -7.729 8.729 1.00 0.00 C ATOM 489 C LEU A 54 -3.173 -8.125 9.712 1.00 0.00 C ATOM 490 O LEU A 54 -2.167 -8.746 9.344 1.00 0.00 O ATOM 491 CB LEU A 54 -4.114 -6.259 8.311 1.00 0.00 C ATOM 492 CG LEU A 54 -3.230 -5.958 7.082 1.00 0.00 C ATOM 493 CD1 LEU A 54 -3.375 -4.503 6.690 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.763 -6.281 7.322 1.00 0.00 C ATOM 0 H LEU A 54 -6.128 -7.017 9.429 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.225 -8.372 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.105 -5.847 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.702 -5.715 9.161 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.574 -6.602 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.749 -4.296 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.416 -4.294 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.064 -3.870 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.188 -6.050 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.391 -5.685 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.657 -7.340 7.558 1.00 0.00 H new ATOM 506 N SER A 55 -3.371 -7.783 10.952 1.00 0.00 N ATOM 507 CA SER A 55 -2.423 -8.094 11.966 1.00 0.00 C ATOM 508 C SER A 55 -2.358 -9.614 12.261 1.00 0.00 C ATOM 509 O SER A 55 -1.268 -10.173 12.364 1.00 0.00 O ATOM 510 CB SER A 55 -2.692 -7.249 13.200 1.00 0.00 C ATOM 511 OG SER A 55 -2.490 -5.863 12.909 1.00 0.00 O ATOM 0 H SER A 55 -4.195 -7.281 11.282 1.00 0.00 H new ATOM 0 HA SER A 55 -1.427 -7.838 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.714 -7.410 13.543 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.032 -7.557 14.011 1.00 0.00 H new ATOM 0 HG SER A 55 -3.306 -5.489 12.515 1.00 0.00 H new ATOM 517 N GLN A 56 -3.500 -10.298 12.333 1.00 0.00 N ATOM 518 CA GLN A 56 -3.465 -11.750 12.575 1.00 0.00 C ATOM 519 C GLN A 56 -3.014 -12.479 11.296 1.00 0.00 C ATOM 520 O GLN A 56 -2.374 -13.522 11.354 1.00 0.00 O ATOM 521 CB GLN A 56 -4.819 -12.289 13.083 1.00 0.00 C ATOM 522 CG GLN A 56 -5.941 -12.275 12.062 1.00 0.00 C ATOM 523 CD GLN A 56 -7.258 -12.719 12.643 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.589 -13.908 12.655 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.023 -11.781 13.113 1.00 0.00 N ATOM 0 H GLN A 56 -4.431 -9.894 12.232 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.742 -11.944 13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.678 -13.312 13.431 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.127 -11.699 13.946 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.047 -11.268 11.658 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.677 -12.927 11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.714 -10.809 13.085 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.933 -12.016 13.510 1.00 0.00 H new ATOM 534 N LEU A 57 -3.334 -11.862 10.170 1.00 0.00 N ATOM 535 CA LEU A 57 -2.979 -12.282 8.812 1.00 0.00 C ATOM 536 C LEU A 57 -1.467 -12.510 8.735 1.00 0.00 C ATOM 537 O LEU A 57 -1.015 -13.633 8.497 1.00 0.00 O ATOM 538 CB LEU A 57 -3.515 -11.127 7.880 1.00 0.00 C ATOM 539 CG LEU A 57 -3.320 -11.065 6.349 1.00 0.00 C ATOM 540 CD1 LEU A 57 -1.887 -10.934 5.931 1.00 0.00 C ATOM 541 CD2 LEU A 57 -4.019 -12.183 5.637 1.00 0.00 C ATOM 0 H LEU A 57 -3.882 -11.002 10.173 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.421 -13.229 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.591 -11.082 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.092 -10.203 8.274 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.802 -10.139 6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.827 -10.896 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.468 -10.019 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.322 -11.791 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.850 -12.093 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.628 -13.138 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.088 -12.132 5.842 1.00 0.00 H new ATOM 553 N LYS A 58 -0.700 -11.470 9.027 1.00 0.00 N ATOM 554 CA LYS A 58 0.760 -11.570 9.022 1.00 0.00 C ATOM 555 C LYS A 58 1.248 -12.541 10.107 1.00 0.00 C ATOM 556 O LYS A 58 2.196 -13.300 9.887 1.00 0.00 O ATOM 557 CB LYS A 58 1.430 -10.192 9.218 1.00 0.00 C ATOM 558 CG LYS A 58 1.192 -9.570 10.578 1.00 0.00 C ATOM 559 CD LYS A 58 1.970 -8.292 10.774 1.00 0.00 C ATOM 560 CE LYS A 58 1.867 -7.840 12.215 1.00 0.00 C ATOM 561 NZ LYS A 58 2.666 -6.639 12.474 1.00 0.00 N ATOM 0 H LYS A 58 -1.059 -10.547 9.271 1.00 0.00 H new ATOM 0 HA LYS A 58 1.048 -11.954 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.504 -10.298 9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.063 -9.510 8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.128 -9.366 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.470 -10.283 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.015 -8.448 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.584 -7.516 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.823 -7.640 12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.199 -8.644 12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.567 -6.364 13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.666 -6.836 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.333 -5.863 11.867 1.00 0.00 H new ATOM 575 N THR A 59 0.557 -12.539 11.258 1.00 0.00 N ATOM 576 CA THR A 59 0.938 -13.357 12.389 1.00 0.00 C ATOM 577 C THR A 59 0.898 -14.835 12.032 1.00 0.00 C ATOM 578 O THR A 59 1.884 -15.521 12.183 1.00 0.00 O ATOM 579 CB THR A 59 0.038 -13.080 13.625 1.00 0.00 C ATOM 580 OG1 THR A 59 0.100 -11.685 13.961 1.00 0.00 O ATOM 581 CG2 THR A 59 0.486 -13.897 14.836 1.00 0.00 C ATOM 0 H THR A 59 -0.274 -11.970 11.417 1.00 0.00 H new ATOM 0 HA THR A 59 1.962 -13.088 12.649 1.00 0.00 H new ATOM 0 HB THR A 59 -0.981 -13.368 13.368 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.485 -11.178 13.360 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.165 -13.679 15.683 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.430 -14.959 14.599 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.513 -13.636 15.091 1.00 0.00 H new ATOM 589 N LEU A 60 -0.223 -15.302 11.506 1.00 0.00 N ATOM 590 CA LEU A 60 -0.374 -16.706 11.169 1.00 0.00 C ATOM 591 C LEU A 60 0.556 -17.133 10.061 1.00 0.00 C ATOM 592 O LEU A 60 1.049 -18.254 10.072 1.00 0.00 O ATOM 593 CB LEU A 60 -1.820 -17.083 10.844 1.00 0.00 C ATOM 594 CG LEU A 60 -2.750 -17.395 12.031 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.910 -16.216 12.979 1.00 0.00 C ATOM 596 CD2 LEU A 60 -4.092 -17.853 11.515 1.00 0.00 C ATOM 0 H LEU A 60 -1.041 -14.728 11.304 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.091 -17.255 12.067 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.262 -16.266 10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.803 -17.955 10.190 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.287 -18.194 12.611 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.576 -16.494 13.796 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.936 -15.939 13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.333 -15.369 12.438 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.749 -18.074 12.356 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.535 -17.066 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.962 -18.751 10.911 1.00 0.00 H new ATOM 608 N ILE A 61 0.815 -16.244 9.123 1.00 0.00 N ATOM 609 CA ILE A 61 1.743 -16.533 8.045 1.00 0.00 C ATOM 610 C ILE A 61 3.151 -16.725 8.587 1.00 0.00 C ATOM 611 O ILE A 61 3.791 -17.758 8.348 1.00 0.00 O ATOM 612 CB ILE A 61 1.738 -15.419 6.965 1.00 0.00 C ATOM 613 CG1 ILE A 61 0.382 -15.364 6.270 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.854 -15.624 5.944 1.00 0.00 C ATOM 615 CD1 ILE A 61 0.001 -16.649 5.566 1.00 0.00 C ATOM 0 H ILE A 61 0.396 -15.315 9.084 1.00 0.00 H new ATOM 0 HA ILE A 61 1.412 -17.458 7.574 1.00 0.00 H new ATOM 0 HB ILE A 61 1.919 -14.467 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.384 -15.124 7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.390 -14.552 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.820 -14.825 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.819 -15.608 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.721 -16.585 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.975 -16.531 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.745 -16.880 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.041 -17.462 6.291 1.00 0.00 H new ATOM 627 N LEU A 62 3.604 -15.775 9.372 1.00 0.00 N ATOM 628 CA LEU A 62 4.949 -15.811 9.900 1.00 0.00 C ATOM 629 C LEU A 62 5.052 -16.926 10.954 1.00 0.00 C ATOM 630 O LEU A 62 6.098 -17.470 11.173 1.00 0.00 O ATOM 631 CB LEU A 62 5.311 -14.417 10.481 1.00 0.00 C ATOM 632 CG LEU A 62 6.816 -14.005 10.564 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.614 -14.820 11.569 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.471 -14.065 9.187 1.00 0.00 C ATOM 0 H LEU A 62 3.058 -14.963 9.661 1.00 0.00 H new ATOM 0 HA LEU A 62 5.666 -16.036 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.795 -13.666 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.897 -14.361 11.488 1.00 0.00 H new ATOM 0 HG LEU A 62 6.827 -12.977 10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.649 -14.480 11.573 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.186 -14.692 12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.580 -15.874 11.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.518 -13.774 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.406 -15.081 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.957 -13.383 8.510 1.00 0.00 H new ATOM 646 N ASP A 63 3.941 -17.296 11.535 1.00 0.00 N ATOM 647 CA ASP A 63 3.906 -18.334 12.573 1.00 0.00 C ATOM 648 C ASP A 63 3.893 -19.736 11.966 1.00 0.00 C ATOM 649 O ASP A 63 4.373 -20.673 12.559 1.00 0.00 O ATOM 650 CB ASP A 63 2.654 -18.185 13.387 1.00 0.00 C ATOM 651 CG ASP A 63 2.667 -18.965 14.678 1.00 0.00 C ATOM 652 OD1 ASP A 63 2.226 -20.130 14.688 1.00 0.00 O ATOM 653 OD2 ASP A 63 3.101 -18.416 15.731 1.00 0.00 O ATOM 0 H ASP A 63 3.029 -16.897 11.314 1.00 0.00 H new ATOM 0 HA ASP A 63 4.799 -18.212 13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.503 -17.129 13.613 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.802 -18.507 12.788 1.00 0.00 H new ATOM 658 N ALA A 64 3.326 -19.871 10.787 1.00 0.00 N ATOM 659 CA ALA A 64 3.215 -21.162 10.147 1.00 0.00 C ATOM 660 C ALA A 64 4.499 -21.475 9.436 1.00 0.00 C ATOM 661 O ALA A 64 4.899 -22.641 9.310 1.00 0.00 O ATOM 662 CB ALA A 64 2.049 -21.155 9.166 1.00 0.00 C ATOM 0 H ALA A 64 2.933 -19.098 10.250 1.00 0.00 H new ATOM 0 HA ALA A 64 3.029 -21.930 10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.971 -22.131 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.125 -20.938 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.217 -20.391 8.407 1.00 0.00 H new ATOM 668 N LEU A 65 5.160 -20.427 8.989 1.00 0.00 N ATOM 669 CA LEU A 65 6.372 -20.572 8.213 1.00 0.00 C ATOM 670 C LEU A 65 7.596 -20.366 9.074 1.00 0.00 C ATOM 671 O LEU A 65 8.624 -20.996 8.850 1.00 0.00 O ATOM 672 CB LEU A 65 6.359 -19.591 7.028 1.00 0.00 C ATOM 673 CG LEU A 65 5.068 -19.589 6.214 1.00 0.00 C ATOM 674 CD1 LEU A 65 5.181 -18.741 4.972 1.00 0.00 C ATOM 675 CD2 LEU A 65 4.625 -20.994 5.903 1.00 0.00 C ATOM 0 H LEU A 65 4.875 -19.461 9.152 1.00 0.00 H new ATOM 0 HA LEU A 65 6.414 -21.589 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.535 -18.584 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.190 -19.833 6.365 1.00 0.00 H new ATOM 0 HG LEU A 65 4.294 -19.129 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.239 -18.770 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.406 -17.712 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.980 -19.127 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.703 -20.965 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.400 -21.501 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.451 -21.535 6.833 1.00 0.00 H new ATOM 687 N LYS A 66 7.478 -19.461 10.057 1.00 0.00 N ATOM 688 CA LYS A 66 8.538 -19.163 11.030 1.00 0.00 C ATOM 689 C LYS A 66 9.843 -18.818 10.354 1.00 0.00 C ATOM 690 O LYS A 66 10.910 -19.266 10.756 1.00 0.00 O ATOM 691 CB LYS A 66 8.643 -20.309 12.034 1.00 0.00 C ATOM 692 CG LYS A 66 7.459 -20.336 13.009 1.00 0.00 C ATOM 693 CD LYS A 66 7.257 -21.701 13.651 1.00 0.00 C ATOM 694 CE LYS A 66 6.707 -22.690 12.630 1.00 0.00 C ATOM 695 NZ LYS A 66 6.376 -23.996 13.230 1.00 0.00 N ATOM 0 H LYS A 66 6.632 -18.909 10.200 1.00 0.00 H new ATOM 0 HA LYS A 66 8.276 -18.266 11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.691 -21.257 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.572 -20.213 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.620 -19.592 13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.550 -20.051 12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.204 -22.067 14.049 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.569 -21.616 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.814 -22.270 12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.440 -22.834 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.006 -24.632 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.232 -24.412 13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.656 -23.866 13.969 1.00 0.00 H new ATOM 709 N LYS A 67 9.726 -17.971 9.334 1.00 0.00 N ATOM 710 CA LYS A 67 10.856 -17.537 8.545 1.00 0.00 C ATOM 711 C LYS A 67 11.832 -16.727 9.396 1.00 0.00 C ATOM 712 O LYS A 67 12.935 -17.197 9.720 1.00 0.00 O ATOM 713 CB LYS A 67 10.404 -16.694 7.334 1.00 0.00 C ATOM 714 CG LYS A 67 9.502 -17.409 6.329 1.00 0.00 C ATOM 715 CD LYS A 67 9.200 -16.495 5.145 1.00 0.00 C ATOM 716 CE LYS A 67 8.324 -17.171 4.097 1.00 0.00 C ATOM 717 NZ LYS A 67 8.977 -18.341 3.463 1.00 0.00 N ATOM 0 H LYS A 67 8.837 -17.570 9.037 1.00 0.00 H new ATOM 0 HA LYS A 67 11.359 -18.432 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.879 -15.813 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.291 -16.339 6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.987 -18.320 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.572 -17.708 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.703 -15.593 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.136 -16.181 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.391 -17.490 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.064 -16.445 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.378 -18.697 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.902 -18.058 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.110 -19.091 4.172 1.00 0.00 H new ATOM 731 N ASP A 68 11.425 -15.525 9.779 1.00 0.00 N ATOM 732 CA ASP A 68 12.284 -14.650 10.534 1.00 0.00 C ATOM 733 C ASP A 68 11.493 -13.525 11.078 1.00 0.00 C ATOM 734 O ASP A 68 10.656 -12.951 10.369 1.00 0.00 O ATOM 735 CB ASP A 68 13.344 -14.095 9.633 1.00 0.00 C ATOM 736 CG ASP A 68 14.336 -13.249 10.306 1.00 0.00 C ATOM 737 OD1 ASP A 68 15.160 -13.768 11.082 1.00 0.00 O ATOM 738 OD2 ASP A 68 14.321 -12.067 10.066 1.00 0.00 O ATOM 0 H ASP A 68 10.502 -15.141 9.575 1.00 0.00 H new ATOM 0 HA ASP A 68 12.739 -15.213 11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.861 -14.923 9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.865 -13.514 8.845 1.00 0.00 H new ATOM 743 N SER A 69 11.741 -13.191 12.299 1.00 0.00 N ATOM 744 CA SER A 69 11.017 -12.148 12.911 1.00 0.00 C ATOM 745 C SER A 69 11.655 -10.776 12.639 1.00 0.00 C ATOM 746 O SER A 69 10.996 -9.731 12.724 1.00 0.00 O ATOM 747 CB SER A 69 10.830 -12.435 14.389 1.00 0.00 C ATOM 748 OG SER A 69 12.088 -12.703 15.001 1.00 0.00 O ATOM 0 H SER A 69 12.446 -13.633 12.890 1.00 0.00 H new ATOM 0 HA SER A 69 10.024 -12.103 12.463 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.355 -11.583 14.875 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.165 -13.288 14.520 1.00 0.00 H new ATOM 0 HG SER A 69 11.956 -12.885 15.955 1.00 0.00 H new ATOM 754 N SER A 70 12.909 -10.788 12.270 1.00 0.00 N ATOM 755 CA SER A 70 13.622 -9.590 11.948 1.00 0.00 C ATOM 756 C SER A 70 13.080 -9.021 10.627 1.00 0.00 C ATOM 757 O SER A 70 12.757 -7.843 10.532 1.00 0.00 O ATOM 758 CB SER A 70 15.112 -9.909 11.889 1.00 0.00 C ATOM 759 OG SER A 70 15.546 -10.426 13.154 1.00 0.00 O ATOM 0 H SER A 70 13.465 -11.639 12.185 1.00 0.00 H new ATOM 0 HA SER A 70 13.479 -8.824 12.710 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.307 -10.637 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.676 -9.011 11.639 1.00 0.00 H new ATOM 0 HG SER A 70 16.503 -10.632 13.112 1.00 0.00 H new ATOM 765 N ARG A 71 12.880 -9.885 9.639 1.00 0.00 N ATOM 766 CA ARG A 71 12.293 -9.454 8.380 1.00 0.00 C ATOM 767 C ARG A 71 10.792 -9.244 8.535 1.00 0.00 C ATOM 768 O ARG A 71 10.161 -8.644 7.692 1.00 0.00 O ATOM 769 CB ARG A 71 12.670 -10.390 7.206 1.00 0.00 C ATOM 770 CG ARG A 71 12.108 -11.793 7.273 1.00 0.00 C ATOM 771 CD ARG A 71 10.886 -11.960 6.390 1.00 0.00 C ATOM 772 NE ARG A 71 11.213 -11.820 4.947 1.00 0.00 N ATOM 773 CZ ARG A 71 10.556 -11.053 4.041 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.621 -10.201 4.433 1.00 0.00 N ATOM 775 NH2 ARG A 71 10.884 -11.123 2.762 1.00 0.00 N ATOM 0 H ARG A 71 13.113 -10.877 9.685 1.00 0.00 H new ATOM 0 HA ARG A 71 12.721 -8.487 8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.335 -9.929 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.757 -10.457 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.875 -12.505 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.845 -12.029 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.443 -12.940 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.137 -11.217 6.665 1.00 0.00 H new ATOM 0 HE ARG A 71 12.011 -12.354 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.390 -10.117 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.132 -9.628 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.628 -11.752 2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.393 -10.548 2.077 1.00 0.00 H new ATOM 789 N HIS A 72 10.241 -9.727 9.647 1.00 0.00 N ATOM 790 CA HIS A 72 8.841 -9.467 10.017 1.00 0.00 C ATOM 791 C HIS A 72 8.734 -8.047 10.579 1.00 0.00 C ATOM 792 O HIS A 72 7.666 -7.437 10.601 1.00 0.00 O ATOM 793 CB HIS A 72 8.348 -10.523 11.027 1.00 0.00 C ATOM 794 CG HIS A 72 6.887 -10.438 11.404 1.00 0.00 C ATOM 795 ND1 HIS A 72 6.427 -10.563 12.690 1.00 0.00 N ATOM 796 CD2 HIS A 72 5.779 -10.299 10.630 1.00 0.00 C ATOM 797 CE1 HIS A 72 5.095 -10.506 12.667 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.648 -10.344 11.438 1.00 0.00 N ATOM 0 H HIS A 72 10.745 -10.307 10.317 1.00 0.00 H new ATOM 0 HA HIS A 72 8.200 -9.542 9.138 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.540 -11.513 10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.944 -10.436 11.935 1.00 0.00 H new ATOM 0 HD1 HIS A 72 7.005 -10.680 13.522 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.777 -10.173 9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.465 -10.583 13.541 1.00 0.00 H new ATOM 806 N SER A 73 9.872 -7.512 10.966 1.00 0.00 N ATOM 807 CA SER A 73 9.964 -6.164 11.475 1.00 0.00 C ATOM 808 C SER A 73 10.283 -5.205 10.332 1.00 0.00 C ATOM 809 O SER A 73 10.456 -4.001 10.523 1.00 0.00 O ATOM 810 CB SER A 73 11.036 -6.108 12.540 1.00 0.00 C ATOM 811 OG SER A 73 10.778 -7.075 13.553 1.00 0.00 O ATOM 0 H SER A 73 10.764 -8.005 10.935 1.00 0.00 H new ATOM 0 HA SER A 73 9.013 -5.866 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.013 -6.292 12.092 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.070 -5.111 12.980 1.00 0.00 H new ATOM 0 HG SER A 73 10.936 -7.974 13.195 1.00 0.00 H new ATOM 817 N LYS A 74 10.359 -5.765 9.154 1.00 0.00 N ATOM 818 CA LYS A 74 10.602 -5.028 7.938 1.00 0.00 C ATOM 819 C LYS A 74 9.622 -5.540 6.876 1.00 0.00 C ATOM 820 O LYS A 74 9.799 -5.379 5.672 1.00 0.00 O ATOM 821 CB LYS A 74 12.091 -5.174 7.513 1.00 0.00 C ATOM 822 CG LYS A 74 12.557 -4.449 6.212 1.00 0.00 C ATOM 823 CD LYS A 74 12.415 -2.901 6.216 1.00 0.00 C ATOM 824 CE LYS A 74 10.974 -2.404 6.015 1.00 0.00 C ATOM 825 NZ LYS A 74 10.922 -0.937 5.812 1.00 0.00 N ATOM 0 H LYS A 74 10.252 -6.769 9.008 1.00 0.00 H new ATOM 0 HA LYS A 74 10.432 -3.960 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.710 -4.814 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.302 -6.237 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.603 -4.699 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.986 -4.846 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.793 -2.514 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.044 -2.487 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.533 -2.906 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.372 -2.673 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.934 -0.640 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.320 -0.457 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.475 -0.683 4.969 1.00 0.00 H new ATOM 839 N LEU A 75 8.572 -6.125 7.349 1.00 0.00 N ATOM 840 CA LEU A 75 7.537 -6.620 6.494 1.00 0.00 C ATOM 841 C LEU A 75 6.530 -5.534 6.293 1.00 0.00 C ATOM 842 O LEU A 75 5.818 -5.145 7.218 1.00 0.00 O ATOM 843 CB LEU A 75 6.931 -7.924 7.051 1.00 0.00 C ATOM 844 CG LEU A 75 7.246 -9.190 6.218 1.00 0.00 C ATOM 845 CD1 LEU A 75 7.463 -10.406 7.084 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.145 -9.486 5.240 1.00 0.00 C ATOM 0 H LEU A 75 8.404 -6.275 8.344 1.00 0.00 H new ATOM 0 HA LEU A 75 7.943 -6.888 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.296 -8.074 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.849 -7.808 7.115 1.00 0.00 H new ATOM 0 HG LEU A 75 8.170 -8.974 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.681 -11.268 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.301 -10.228 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.564 -10.602 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.396 -10.381 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.213 -9.649 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.027 -8.643 4.559 1.00 0.00 H new ATOM 858 N GLU A 76 6.565 -4.969 5.112 1.00 0.00 N ATOM 859 CA GLU A 76 5.681 -3.897 4.741 1.00 0.00 C ATOM 860 C GLU A 76 4.333 -4.479 4.406 1.00 0.00 C ATOM 861 O GLU A 76 4.241 -5.657 4.100 1.00 0.00 O ATOM 862 CB GLU A 76 6.228 -3.163 3.518 1.00 0.00 C ATOM 863 CG GLU A 76 7.630 -2.614 3.690 1.00 0.00 C ATOM 864 CD GLU A 76 8.080 -1.833 2.486 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.432 -2.445 1.467 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.083 -0.584 2.548 1.00 0.00 O ATOM 0 H GLU A 76 7.215 -5.244 4.376 1.00 0.00 H new ATOM 0 HA GLU A 76 5.597 -3.192 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.220 -3.844 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.557 -2.340 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.663 -1.973 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.322 -3.437 3.868 1.00 0.00 H new ATOM 873 N LYS A 77 3.306 -3.654 4.437 1.00 0.00 N ATOM 874 CA LYS A 77 1.944 -4.055 4.128 1.00 0.00 C ATOM 875 C LYS A 77 1.863 -4.843 2.824 1.00 0.00 C ATOM 876 O LYS A 77 1.271 -5.909 2.770 1.00 0.00 O ATOM 877 CB LYS A 77 1.064 -2.813 4.066 1.00 0.00 C ATOM 878 CG LYS A 77 -0.326 -3.078 3.553 1.00 0.00 C ATOM 879 CD LYS A 77 -1.304 -1.907 3.760 1.00 0.00 C ATOM 880 CE LYS A 77 -1.571 -1.573 5.238 1.00 0.00 C ATOM 881 NZ LYS A 77 -0.519 -0.732 5.882 1.00 0.00 N ATOM 0 H LYS A 77 3.394 -2.668 4.682 1.00 0.00 H new ATOM 0 HA LYS A 77 1.590 -4.719 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.996 -2.377 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.542 -2.072 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.272 -3.309 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.724 -3.962 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.906 -1.022 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.250 -2.146 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.528 -1.057 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.666 -2.504 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.007 -1.303 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.136 -0.378 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.966 0.073 6.366 1.00 0.00 H new ATOM 895 N ALA A 78 2.516 -4.324 1.816 1.00 0.00 N ATOM 896 CA ALA A 78 2.569 -4.938 0.493 1.00 0.00 C ATOM 897 C ALA A 78 3.195 -6.319 0.544 1.00 0.00 C ATOM 898 O ALA A 78 2.770 -7.251 -0.139 1.00 0.00 O ATOM 899 CB ALA A 78 3.417 -4.074 -0.401 1.00 0.00 C ATOM 0 H ALA A 78 3.037 -3.450 1.882 1.00 0.00 H new ATOM 0 HA ALA A 78 1.550 -5.030 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.468 -4.518 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.976 -3.079 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.422 -3.998 0.014 1.00 0.00 H new ATOM 905 N ASP A 79 4.158 -6.436 1.404 1.00 0.00 N ATOM 906 CA ASP A 79 4.997 -7.612 1.486 1.00 0.00 C ATOM 907 C ASP A 79 4.254 -8.693 2.246 1.00 0.00 C ATOM 908 O ASP A 79 4.314 -9.878 1.924 1.00 0.00 O ATOM 909 CB ASP A 79 6.307 -7.236 2.187 1.00 0.00 C ATOM 910 CG ASP A 79 7.438 -8.193 1.879 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.614 -8.530 0.685 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.204 -8.585 2.813 1.00 0.00 O ATOM 0 H ASP A 79 4.395 -5.712 2.083 1.00 0.00 H new ATOM 0 HA ASP A 79 5.234 -7.992 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.598 -6.230 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.142 -7.211 3.264 1.00 0.00 H new ATOM 917 N ILE A 80 3.520 -8.237 3.234 1.00 0.00 N ATOM 918 CA ILE A 80 2.683 -9.056 4.085 1.00 0.00 C ATOM 919 C ILE A 80 1.553 -9.684 3.287 1.00 0.00 C ATOM 920 O ILE A 80 1.314 -10.897 3.384 1.00 0.00 O ATOM 921 CB ILE A 80 2.130 -8.180 5.235 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.282 -7.797 6.151 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.034 -8.892 6.005 1.00 0.00 C ATOM 924 CD1 ILE A 80 3.008 -6.650 7.066 1.00 0.00 C ATOM 0 H ILE A 80 3.487 -7.247 3.478 1.00 0.00 H new ATOM 0 HA ILE A 80 3.275 -9.870 4.504 1.00 0.00 H new ATOM 0 HB ILE A 80 1.680 -7.281 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.552 -8.665 6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.149 -7.553 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.671 -8.245 6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.212 -9.131 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.430 -9.812 6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.889 -6.454 7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.770 -5.764 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.164 -6.893 7.712 1.00 0.00 H new ATOM 936 N LEU A 81 0.886 -8.871 2.477 1.00 0.00 N ATOM 937 CA LEU A 81 -0.209 -9.349 1.647 1.00 0.00 C ATOM 938 C LEU A 81 0.291 -10.467 0.739 1.00 0.00 C ATOM 939 O LEU A 81 -0.286 -11.554 0.703 1.00 0.00 O ATOM 940 CB LEU A 81 -0.791 -8.215 0.797 1.00 0.00 C ATOM 941 CG LEU A 81 -1.275 -6.963 1.537 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.833 -5.956 0.553 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.311 -7.301 2.603 1.00 0.00 C ATOM 0 H LEU A 81 1.086 -7.876 2.378 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.997 -9.726 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.033 -7.909 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.629 -8.616 0.227 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.416 -6.525 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.173 -5.071 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.056 -5.672 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.672 -6.399 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.629 -6.387 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.173 -7.776 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.873 -7.982 3.333 1.00 0.00 H new ATOM 955 N GLU A 82 1.417 -10.210 0.074 1.00 0.00 N ATOM 956 CA GLU A 82 2.037 -11.159 -0.826 1.00 0.00 C ATOM 957 C GLU A 82 2.412 -12.448 -0.115 1.00 0.00 C ATOM 958 O GLU A 82 2.156 -13.521 -0.627 1.00 0.00 O ATOM 959 CB GLU A 82 3.281 -10.544 -1.465 1.00 0.00 C ATOM 960 CG GLU A 82 4.122 -11.490 -2.257 1.00 0.00 C ATOM 961 CD GLU A 82 5.431 -10.888 -2.694 1.00 0.00 C ATOM 962 OE1 GLU A 82 5.434 -9.782 -3.273 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.498 -11.500 -2.441 1.00 0.00 O ATOM 0 H GLU A 82 1.922 -9.327 0.151 1.00 0.00 H new ATOM 0 HA GLU A 82 1.308 -11.401 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.969 -9.727 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.896 -10.107 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.319 -12.380 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.565 -11.813 -3.137 1.00 0.00 H new ATOM 970 N MET A 83 2.933 -12.331 1.094 1.00 0.00 N ATOM 971 CA MET A 83 3.476 -13.474 1.825 1.00 0.00 C ATOM 972 C MET A 83 2.355 -14.459 2.107 1.00 0.00 C ATOM 973 O MET A 83 2.527 -15.676 2.028 1.00 0.00 O ATOM 974 CB MET A 83 4.121 -12.998 3.133 1.00 0.00 C ATOM 975 CG MET A 83 5.093 -13.994 3.760 1.00 0.00 C ATOM 976 SD MET A 83 6.549 -14.297 2.730 1.00 0.00 S ATOM 977 CE MET A 83 7.280 -12.652 2.671 1.00 0.00 C ATOM 0 H MET A 83 2.994 -11.447 1.599 1.00 0.00 H new ATOM 0 HA MET A 83 4.242 -13.967 1.227 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.650 -12.064 2.943 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.333 -12.777 3.853 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.413 -13.619 4.732 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.576 -14.937 3.936 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.311 -12.724 2.324 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.710 -12.025 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.263 -12.210 3.667 1.00 0.00 H new ATOM 987 N THR A 84 1.202 -13.900 2.345 1.00 0.00 N ATOM 988 CA THR A 84 0.008 -14.630 2.613 1.00 0.00 C ATOM 989 C THR A 84 -0.510 -15.301 1.325 1.00 0.00 C ATOM 990 O THR A 84 -0.861 -16.481 1.330 1.00 0.00 O ATOM 991 CB THR A 84 -1.029 -13.657 3.181 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.364 -12.871 4.173 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.170 -14.398 3.861 1.00 0.00 C ATOM 0 H THR A 84 1.070 -12.889 2.357 1.00 0.00 H new ATOM 0 HA THR A 84 0.203 -15.421 3.337 1.00 0.00 H new ATOM 0 HB THR A 84 -1.441 -13.055 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.077 -12.108 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.889 -13.678 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.664 -15.047 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.776 -15.000 4.680 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.497 -14.555 0.216 1.00 0.00 N ATOM 1002 CA VAL A 85 -0.938 -15.075 -1.086 1.00 0.00 C ATOM 1003 C VAL A 85 -0.041 -16.240 -1.511 1.00 0.00 C ATOM 1004 O VAL A 85 -0.516 -17.295 -1.945 1.00 0.00 O ATOM 1005 CB VAL A 85 -0.882 -13.983 -2.200 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.396 -14.512 -3.536 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.656 -12.757 -1.801 1.00 0.00 C ATOM 0 H VAL A 85 -0.185 -13.584 0.192 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.971 -15.402 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 85 0.166 -13.710 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.341 -13.722 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.784 -15.356 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.431 -14.836 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.598 -12.015 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.699 -13.025 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.233 -12.341 -0.886 1.00 0.00 H new ATOM 1017 N LYS A 86 1.252 -16.051 -1.372 1.00 0.00 N ATOM 1018 CA LYS A 86 2.221 -17.059 -1.751 1.00 0.00 C ATOM 1019 C LYS A 86 2.053 -18.320 -0.905 1.00 0.00 C ATOM 1020 O LYS A 86 2.014 -19.430 -1.438 1.00 0.00 O ATOM 1021 CB LYS A 86 3.637 -16.512 -1.650 1.00 0.00 C ATOM 1022 CG LYS A 86 3.821 -15.198 -2.399 1.00 0.00 C ATOM 1023 CD LYS A 86 5.255 -14.796 -2.517 1.00 0.00 C ATOM 1024 CE LYS A 86 5.866 -14.454 -1.177 1.00 0.00 C ATOM 1025 NZ LYS A 86 7.215 -13.892 -1.343 1.00 0.00 N ATOM 0 H LYS A 86 1.662 -15.197 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 86 2.042 -17.330 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.890 -16.364 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.335 -17.250 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.391 -15.290 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.269 -14.411 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.821 -15.607 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.336 -13.935 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.231 -13.738 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.914 -15.348 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.716 -13.917 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.741 -14.453 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.143 -12.908 -1.671 1.00 0.00 H new ATOM 1039 N HIS A 87 1.872 -18.137 0.403 1.00 0.00 N ATOM 1040 CA HIS A 87 1.668 -19.261 1.321 1.00 0.00 C ATOM 1041 C HIS A 87 0.341 -19.967 1.039 1.00 0.00 C ATOM 1042 O HIS A 87 0.218 -21.179 1.245 1.00 0.00 O ATOM 1043 CB HIS A 87 1.739 -18.796 2.793 1.00 0.00 C ATOM 1044 CG HIS A 87 1.486 -19.887 3.820 1.00 0.00 C ATOM 1045 ND1 HIS A 87 0.681 -19.727 4.924 1.00 0.00 N ATOM 1046 CD2 HIS A 87 1.969 -21.152 3.902 1.00 0.00 C ATOM 1047 CE1 HIS A 87 0.697 -20.854 5.625 1.00 0.00 C ATOM 1048 NE2 HIS A 87 1.461 -21.760 5.052 1.00 0.00 N ATOM 0 H HIS A 87 1.862 -17.221 0.852 1.00 0.00 H new ATOM 0 HA HIS A 87 2.473 -19.976 1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.724 -18.366 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.010 -17.999 2.943 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.639 -21.615 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.154 -21.008 6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.644 -22.708 5.380 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.622 -19.221 0.531 1.00 0.00 N ATOM 1057 CA LEU A 88 -1.924 -19.755 0.225 1.00 0.00 C ATOM 1058 C LEU A 88 -1.748 -20.829 -0.845 1.00 0.00 C ATOM 1059 O LEU A 88 -2.248 -21.945 -0.709 1.00 0.00 O ATOM 1060 CB LEU A 88 -2.846 -18.605 -0.245 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.370 -18.814 -0.180 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -4.857 -19.895 -1.133 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.799 -19.112 1.253 1.00 0.00 C ATOM 0 H LEU A 88 -0.518 -18.228 0.321 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.391 -20.208 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.606 -17.723 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.587 -18.373 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.838 -17.885 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.938 -19.998 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.602 -19.620 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.380 -20.843 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.879 -19.258 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.300 -20.016 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.526 -18.275 1.896 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.958 -20.512 -1.863 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.668 -21.480 -2.904 1.00 0.00 C ATOM 1077 C ARG A 89 0.209 -22.606 -2.395 1.00 0.00 C ATOM 1078 O ARG A 89 0.099 -23.723 -2.861 1.00 0.00 O ATOM 1079 CB ARG A 89 -0.066 -20.869 -4.169 1.00 0.00 C ATOM 1080 CG ARG A 89 -1.069 -20.171 -5.077 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.491 -18.791 -4.589 1.00 0.00 C ATOM 1082 NE ARG A 89 -0.385 -17.817 -4.673 1.00 0.00 N ATOM 1083 CZ ARG A 89 0.089 -17.258 -5.820 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -0.428 -17.605 -7.005 1.00 0.00 N ATOM 1085 NH2 ARG A 89 1.072 -16.351 -5.767 1.00 0.00 N ATOM 0 H ARG A 89 -0.513 -19.603 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.639 -21.887 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.702 -20.152 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.430 -21.657 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.637 -20.076 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.955 -20.798 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.333 -18.437 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.837 -18.860 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 89 0.061 -17.540 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.181 -18.291 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.069 -17.183 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.466 -16.078 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.427 -15.933 -6.627 1.00 0.00 H new ATOM 1099 N ASN A 90 1.051 -22.316 -1.415 1.00 0.00 N ATOM 1100 CA ASN A 90 1.931 -23.332 -0.828 1.00 0.00 C ATOM 1101 C ASN A 90 1.123 -24.408 -0.188 1.00 0.00 C ATOM 1102 O ASN A 90 1.401 -25.602 -0.358 1.00 0.00 O ATOM 1103 CB ASN A 90 2.904 -22.758 0.206 1.00 0.00 C ATOM 1104 CG ASN A 90 3.936 -21.812 -0.380 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.280 -21.903 -1.559 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.480 -20.934 0.442 1.00 0.00 N ATOM 0 H ASN A 90 1.148 -21.387 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 90 2.523 -23.735 -1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.335 -22.231 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.419 -23.581 0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.209 -20.304 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.172 -20.885 1.413 1.00 0.00 H new ATOM 1113 N LEU A 91 0.117 -24.002 0.532 1.00 0.00 N ATOM 1114 CA LEU A 91 -0.774 -24.929 1.150 1.00 0.00 C ATOM 1115 C LEU A 91 -1.586 -25.643 0.077 1.00 0.00 C ATOM 1116 O LEU A 91 -1.677 -26.862 0.075 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.684 -24.207 2.140 1.00 0.00 C ATOM 1118 CG LEU A 91 -1.013 -23.616 3.391 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -1.980 -22.737 4.151 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.522 -24.724 4.299 1.00 0.00 C ATOM 0 H LEU A 91 -0.105 -23.021 0.704 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.201 -25.672 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.189 -23.399 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.455 -24.906 2.465 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.165 -23.013 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.485 -22.329 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.310 -21.920 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.843 -23.327 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.049 -24.290 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.365 -25.342 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.202 -25.338 3.764 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.071 -24.885 -0.897 1.00 0.00 N ATOM 1133 CA GLN A 92 -2.934 -25.428 -1.959 1.00 0.00 C ATOM 1134 C GLN A 92 -2.227 -26.449 -2.855 1.00 0.00 C ATOM 1135 O GLN A 92 -2.869 -27.326 -3.424 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.562 -24.316 -2.809 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.637 -23.524 -2.085 1.00 0.00 C ATOM 1138 CD GLN A 92 -5.883 -23.357 -2.917 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.038 -22.379 -3.667 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -6.770 -24.299 -2.800 1.00 0.00 N ATOM 0 H GLN A 92 -1.885 -23.886 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.730 -25.960 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.777 -23.633 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.992 -24.758 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.890 -24.028 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.245 -22.542 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.600 -25.084 -2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.636 -24.253 -3.337 1.00 0.00 H new ATOM 1149 N ARG A 93 -0.915 -26.371 -2.943 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.163 -27.261 -3.821 1.00 0.00 C ATOM 1151 C ARG A 93 0.230 -28.544 -3.109 1.00 0.00 C ATOM 1152 O ARG A 93 0.733 -29.476 -3.722 1.00 0.00 O ATOM 1153 CB ARG A 93 1.071 -26.528 -4.395 1.00 0.00 C ATOM 1154 CG ARG A 93 2.147 -26.123 -3.381 1.00 0.00 C ATOM 1155 CD ARG A 93 3.129 -27.253 -3.095 1.00 0.00 C ATOM 1156 NE ARG A 93 4.186 -26.867 -2.156 1.00 0.00 N ATOM 1157 CZ ARG A 93 5.297 -27.586 -1.927 1.00 0.00 C ATOM 1158 NH1 ARG A 93 5.450 -28.785 -2.498 1.00 0.00 N ATOM 1159 NH2 ARG A 93 6.229 -27.121 -1.105 1.00 0.00 N ATOM 0 H ARG A 93 -0.344 -25.705 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.807 -27.546 -4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.532 -27.169 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.728 -25.630 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.692 -25.258 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.669 -25.816 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.585 -28.107 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.583 -27.579 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 93 4.070 -25.994 -1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.722 -29.155 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.295 -29.329 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.101 -26.218 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.073 -27.666 -0.930 1.00 0.00 H new ATOM 1173 N ALA A 94 0.002 -28.582 -1.816 1.00 0.00 N ATOM 1174 CA ALA A 94 0.383 -29.728 -0.998 1.00 0.00 C ATOM 1175 C ALA A 94 -0.631 -30.849 -1.133 1.00 0.00 C ATOM 1176 O ALA A 94 -0.404 -31.990 -0.707 1.00 0.00 O ATOM 1177 CB ALA A 94 0.474 -29.297 0.444 1.00 0.00 C ATOM 0 H ALA A 94 -0.449 -27.829 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 94 1.350 -30.098 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.758 -30.149 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.223 -28.511 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.494 -28.918 0.772 1.00 0.00 H new ATOM 1485 N GLU B 43 7.786 4.476 -1.614 1.00 0.00 N ATOM 1486 CA GLU B 43 6.465 4.360 -1.009 1.00 0.00 C ATOM 1487 C GLU B 43 5.423 4.067 -2.079 1.00 0.00 C ATOM 1488 O GLU B 43 4.396 3.444 -1.799 1.00 0.00 O ATOM 1489 CB GLU B 43 6.065 5.623 -0.217 1.00 0.00 C ATOM 1490 CG GLU B 43 5.858 6.866 -1.067 1.00 0.00 C ATOM 1491 CD GLU B 43 5.400 8.060 -0.275 1.00 0.00 C ATOM 1492 OE1 GLU B 43 4.169 8.216 -0.061 1.00 0.00 O ATOM 1493 OE2 GLU B 43 6.235 8.873 0.141 1.00 0.00 O ATOM 0 HA GLU B 43 6.509 3.533 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU B 43 5.145 5.416 0.330 1.00 0.00 H new ATOM 0 HB3 GLU B 43 6.837 5.830 0.524 1.00 0.00 H new ATOM 0 HG2 GLU B 43 6.792 7.111 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU B 43 5.123 6.649 -1.842 1.00 0.00 H new ATOM 1500 N LYS B 44 5.698 4.508 -3.305 1.00 0.00 N ATOM 1501 CA LYS B 44 4.796 4.296 -4.405 1.00 0.00 C ATOM 1502 C LYS B 44 4.888 2.862 -4.875 1.00 0.00 C ATOM 1503 O LYS B 44 3.885 2.252 -5.220 1.00 0.00 O ATOM 1504 CB LYS B 44 5.079 5.280 -5.537 1.00 0.00 C ATOM 1505 CG LYS B 44 4.084 5.198 -6.678 1.00 0.00 C ATOM 1506 CD LYS B 44 4.191 6.388 -7.612 1.00 0.00 C ATOM 1507 CE LYS B 44 5.488 6.414 -8.412 1.00 0.00 C ATOM 1508 NZ LYS B 44 5.571 5.308 -9.394 1.00 0.00 N ATOM 0 H LYS B 44 6.548 5.016 -3.549 1.00 0.00 H new ATOM 0 HA LYS B 44 3.775 4.479 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS B 44 5.075 6.293 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS B 44 6.080 5.095 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS B 44 4.252 4.280 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS B 44 3.073 5.144 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS B 44 3.347 6.376 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS B 44 4.113 7.306 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS B 44 5.569 7.367 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.334 6.353 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 6.412 5.437 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 5.640 4.401 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 4.719 5.309 -9.990 1.00 0.00 H new ATOM 1522 N ARG B 45 6.097 2.326 -4.850 1.00 0.00 N ATOM 1523 CA ARG B 45 6.340 0.936 -5.205 1.00 0.00 C ATOM 1524 C ARG B 45 5.650 0.036 -4.204 1.00 0.00 C ATOM 1525 O ARG B 45 5.017 -0.955 -4.577 1.00 0.00 O ATOM 1526 CB ARG B 45 7.835 0.639 -5.228 1.00 0.00 C ATOM 1527 CG ARG B 45 8.602 1.472 -6.235 1.00 0.00 C ATOM 1528 CD ARG B 45 10.078 1.234 -6.128 1.00 0.00 C ATOM 1529 NE ARG B 45 10.437 -0.147 -6.465 1.00 0.00 N ATOM 1530 CZ ARG B 45 11.368 -0.879 -5.839 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.082 -0.359 -4.838 1.00 0.00 N ATOM 1532 NH2 ARG B 45 11.600 -2.128 -6.226 1.00 0.00 N ATOM 0 H ARG B 45 6.937 2.840 -4.584 1.00 0.00 H new ATOM 0 HA ARG B 45 5.940 0.751 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.247 0.814 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.984 -0.417 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.265 1.230 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.389 2.529 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.605 1.918 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.409 1.457 -5.114 1.00 0.00 H new ATOM 0 HE ARG B 45 9.938 -0.586 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG B 45 11.921 0.604 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG B 45 12.789 -0.925 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.070 -2.529 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG B 45 12.309 -2.686 -5.750 1.00 0.00 H new ATOM 1546 N ARG B 46 5.754 0.409 -2.930 1.00 0.00 N ATOM 1547 CA ARG B 46 5.090 -0.301 -1.857 1.00 0.00 C ATOM 1548 C ARG B 46 3.589 -0.254 -2.103 1.00 0.00 C ATOM 1549 O ARG B 46 2.937 -1.270 -2.142 1.00 0.00 O ATOM 1550 CB ARG B 46 5.377 0.366 -0.518 1.00 0.00 C ATOM 1551 CG ARG B 46 4.879 -0.425 0.683 1.00 0.00 C ATOM 1552 CD ARG B 46 4.750 0.456 1.909 1.00 0.00 C ATOM 1553 NE ARG B 46 5.961 1.222 2.190 1.00 0.00 N ATOM 1554 CZ ARG B 46 5.979 2.536 2.502 1.00 0.00 C ATOM 1555 NH1 ARG B 46 4.841 3.245 2.531 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.136 3.143 2.731 1.00 0.00 N ATOM 0 H ARG B 46 6.302 1.212 -2.621 1.00 0.00 H new ATOM 0 HA ARG B 46 5.453 -1.328 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.452 0.517 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG B 46 4.915 1.353 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.912 -0.872 0.451 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.567 -1.244 0.892 1.00 0.00 H new ATOM 0 HD2 ARG B 46 3.916 1.144 1.770 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.511 -0.165 2.772 1.00 0.00 H new ATOM 0 HE ARG B 46 6.854 0.731 2.148 1.00 0.00 H new ATOM 0 HH11 ARG B 46 3.952 2.792 2.316 1.00 0.00 H new ATOM 0 HH12 ARG B 46 4.864 4.237 2.768 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.008 2.618 2.671 1.00 0.00 H new ATOM 0 HH22 ARG B 46 7.153 4.135 2.967 1.00 0.00 H new ATOM 1570 N ARG B 47 3.083 0.959 -2.295 1.00 0.00 N ATOM 1571 CA ARG B 47 1.672 1.244 -2.545 1.00 0.00 C ATOM 1572 C ARG B 47 1.130 0.414 -3.698 1.00 0.00 C ATOM 1573 O ARG B 47 0.076 -0.214 -3.576 1.00 0.00 O ATOM 1574 CB ARG B 47 1.510 2.740 -2.805 1.00 0.00 C ATOM 1575 CG ARG B 47 0.089 3.243 -2.905 1.00 0.00 C ATOM 1576 CD ARG B 47 0.077 4.766 -2.892 1.00 0.00 C ATOM 1577 NE ARG B 47 0.665 5.286 -1.640 1.00 0.00 N ATOM 1578 CZ ARG B 47 1.573 6.279 -1.541 1.00 0.00 C ATOM 1579 NH1 ARG B 47 1.915 6.989 -2.610 1.00 0.00 N ATOM 1580 NH2 ARG B 47 2.108 6.575 -0.358 1.00 0.00 N ATOM 0 H ARG B 47 3.661 1.799 -2.281 1.00 0.00 H new ATOM 0 HA ARG B 47 1.089 0.967 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG B 47 2.012 3.284 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG B 47 2.028 2.986 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -0.373 2.875 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -0.502 2.859 -2.073 1.00 0.00 H new ATOM 0 HD2 ARG B 47 0.637 5.146 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -0.946 5.127 -2.995 1.00 0.00 H new ATOM 0 HE ARG B 47 0.356 4.854 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG B 47 1.490 6.785 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG B 47 2.602 7.738 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG B 47 1.831 6.051 0.472 1.00 0.00 H new ATOM 0 HH22 ARG B 47 2.795 7.326 -0.282 1.00 0.00 H new ATOM 1594 N ALA B 48 1.864 0.391 -4.789 1.00 0.00 N ATOM 1595 CA ALA B 48 1.522 -0.402 -5.946 1.00 0.00 C ATOM 1596 C ALA B 48 1.424 -1.868 -5.561 1.00 0.00 C ATOM 1597 O ALA B 48 0.400 -2.499 -5.797 1.00 0.00 O ATOM 1598 CB ALA B 48 2.556 -0.206 -7.043 1.00 0.00 C ATOM 0 H ALA B 48 2.724 0.929 -4.897 1.00 0.00 H new ATOM 0 HA ALA B 48 0.553 -0.076 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.286 -0.810 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.588 0.845 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA B 48 3.536 -0.513 -6.678 1.00 0.00 H new ATOM 1604 N ARG B 49 2.458 -2.374 -4.883 1.00 0.00 N ATOM 1605 CA ARG B 49 2.492 -3.770 -4.458 1.00 0.00 C ATOM 1606 C ARG B 49 1.359 -4.095 -3.496 1.00 0.00 C ATOM 1607 O ARG B 49 0.891 -5.219 -3.470 1.00 0.00 O ATOM 1608 CB ARG B 49 3.823 -4.164 -3.818 1.00 0.00 C ATOM 1609 CG ARG B 49 5.017 -4.235 -4.746 1.00 0.00 C ATOM 1610 CD ARG B 49 6.256 -4.686 -3.975 1.00 0.00 C ATOM 1611 NE ARG B 49 6.095 -6.037 -3.369 1.00 0.00 N ATOM 1612 CZ ARG B 49 6.633 -6.434 -2.188 1.00 0.00 C ATOM 1613 NH1 ARG B 49 7.248 -5.549 -1.409 1.00 0.00 N ATOM 1614 NH2 ARG B 49 6.521 -7.711 -1.774 1.00 0.00 N ATOM 0 H ARG B 49 3.282 -1.834 -4.618 1.00 0.00 H new ATOM 0 HA ARG B 49 2.369 -4.353 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.047 -3.449 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.700 -5.137 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.813 -4.930 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.195 -3.259 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.114 -4.693 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.473 -3.963 -3.189 1.00 0.00 H new ATOM 0 HE ARG B 49 5.536 -6.718 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.315 -4.573 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG B 49 7.653 -5.846 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.027 -8.393 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.930 -7.996 -0.884 1.00 0.00 H new ATOM 1628 N ILE B 50 0.940 -3.121 -2.685 1.00 0.00 N ATOM 1629 CA ILE B 50 -0.183 -3.313 -1.781 1.00 0.00 C ATOM 1630 C ILE B 50 -1.423 -3.640 -2.590 1.00 0.00 C ATOM 1631 O ILE B 50 -2.056 -4.665 -2.375 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.444 -2.056 -0.896 1.00 0.00 C ATOM 1633 CG1 ILE B 50 0.793 -1.754 -0.054 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.655 -2.283 0.008 1.00 0.00 C ATOM 1635 CD1 ILE B 50 0.743 -0.467 0.719 1.00 0.00 C ATOM 0 H ILE B 50 1.364 -2.195 -2.640 1.00 0.00 H new ATOM 0 HA ILE B 50 0.060 -4.137 -1.111 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.652 -1.204 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.944 -2.575 0.647 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.663 -1.731 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.824 -1.397 0.619 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.536 -2.474 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.470 -3.140 0.655 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.667 -0.346 1.284 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.627 0.368 0.028 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.102 -0.488 1.407 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.716 -2.802 -3.562 1.00 0.00 N ATOM 1648 CA ASN B 51 -2.879 -3.011 -4.424 1.00 0.00 C ATOM 1649 C ASN B 51 -2.748 -4.322 -5.171 1.00 0.00 C ATOM 1650 O ASN B 51 -3.664 -5.137 -5.175 1.00 0.00 O ATOM 1651 CB ASN B 51 -3.070 -1.871 -5.447 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.439 -0.526 -4.849 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -4.620 -0.219 -4.658 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.448 0.299 -4.584 1.00 0.00 N ATOM 0 H ASN B 51 -1.171 -1.968 -3.781 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.752 -3.029 -3.771 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -2.148 -1.757 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -3.848 -2.163 -6.153 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -2.643 1.227 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -1.485 0.010 -4.755 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.585 -4.532 -5.761 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.299 -5.717 -6.559 1.00 0.00 C ATOM 1663 C GLU B 52 -1.416 -7.014 -5.767 1.00 0.00 C ATOM 1664 O GLU B 52 -1.935 -8.015 -6.275 1.00 0.00 O ATOM 1665 CB GLU B 52 0.081 -5.616 -7.189 1.00 0.00 C ATOM 1666 CG GLU B 52 0.219 -4.461 -8.155 1.00 0.00 C ATOM 1667 CD GLU B 52 -0.756 -4.557 -9.286 1.00 0.00 C ATOM 1668 OE1 GLU B 52 -0.494 -5.308 -10.245 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -1.813 -3.902 -9.235 1.00 0.00 O ATOM 0 H GLU B 52 -0.803 -3.880 -5.701 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.058 -5.751 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.825 -5.510 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU B 52 0.302 -6.546 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU B 52 0.065 -3.523 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.234 -4.440 -8.552 1.00 0.00 H new ATOM 1676 N SER B 53 -0.936 -7.014 -4.551 1.00 0.00 N ATOM 1677 CA SER B 53 -0.979 -8.196 -3.746 1.00 0.00 C ATOM 1678 C SER B 53 -2.380 -8.422 -3.181 1.00 0.00 C ATOM 1679 O SER B 53 -2.844 -9.546 -3.122 1.00 0.00 O ATOM 1680 CB SER B 53 0.068 -8.120 -2.643 1.00 0.00 C ATOM 1681 OG SER B 53 1.350 -7.840 -3.198 1.00 0.00 O ATOM 0 H SER B 53 -0.511 -6.204 -4.100 1.00 0.00 H new ATOM 0 HA SER B 53 -0.743 -9.056 -4.374 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.203 -7.344 -1.927 1.00 0.00 H new ATOM 0 HB3 SER B 53 0.099 -9.062 -2.096 1.00 0.00 H new ATOM 0 HG SER B 53 1.475 -6.870 -3.260 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.074 -7.336 -2.838 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.392 -7.424 -2.219 1.00 0.00 C ATOM 1689 C LEU B 54 -5.414 -7.880 -3.263 1.00 0.00 C ATOM 1690 O LEU B 54 -6.346 -8.640 -2.967 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.779 -6.040 -1.653 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.543 -6.007 -0.314 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.734 -4.575 0.149 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -6.884 -6.699 -0.405 1.00 0.00 C ATOM 0 H LEU B 54 -2.741 -6.382 -2.980 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.376 -8.148 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.865 -5.458 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.387 -5.529 -2.400 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.939 -6.549 0.413 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.275 -4.568 1.095 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.761 -4.103 0.284 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.304 -4.024 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.385 -6.650 0.562 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.498 -6.204 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.737 -7.742 -0.685 1.00 0.00 H new ATOM 1706 N SER B 55 -5.221 -7.436 -4.481 1.00 0.00 N ATOM 1707 CA SER B 55 -6.109 -7.770 -5.551 1.00 0.00 C ATOM 1708 C SER B 55 -5.987 -9.245 -5.934 1.00 0.00 C ATOM 1709 O SER B 55 -6.999 -9.960 -5.996 1.00 0.00 O ATOM 1710 CB SER B 55 -5.852 -6.850 -6.735 1.00 0.00 C ATOM 1711 OG SER B 55 -4.498 -6.908 -7.150 1.00 0.00 O ATOM 0 H SER B 55 -4.443 -6.834 -4.751 1.00 0.00 H new ATOM 0 HA SER B 55 -7.137 -7.621 -5.219 1.00 0.00 H new ATOM 0 HB2 SER B 55 -6.501 -7.132 -7.564 1.00 0.00 H new ATOM 0 HB3 SER B 55 -6.108 -5.826 -6.464 1.00 0.00 H new ATOM 0 HG SER B 55 -3.957 -6.317 -6.585 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.749 -9.718 -6.145 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.521 -11.117 -6.514 1.00 0.00 C ATOM 1719 C GLN B 56 -4.945 -12.038 -5.377 1.00 0.00 C ATOM 1720 O GLN B 56 -5.447 -13.133 -5.611 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.059 -11.378 -6.923 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.045 -11.209 -5.806 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.626 -11.400 -6.275 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.095 -12.511 -6.272 1.00 0.00 O ATOM 1725 NE2 GLN B 56 0.004 -10.328 -6.668 1.00 0.00 N ATOM 0 H GLN B 56 -3.901 -9.157 -6.067 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.135 -11.333 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -2.982 -12.392 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -2.798 -10.702 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.150 -10.214 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.261 -11.925 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.470 -9.425 -6.656 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.971 -10.393 -6.987 1.00 0.00 H new ATOM 1734 N LEU B 57 -4.773 -11.553 -4.150 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.181 -12.256 -2.952 1.00 0.00 C ATOM 1736 C LEU B 57 -6.673 -12.527 -3.041 1.00 0.00 C ATOM 1737 O LEU B 57 -7.100 -13.675 -3.050 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.817 -11.376 -1.727 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.031 -11.928 -0.314 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.199 -11.124 0.676 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.488 -11.831 0.085 1.00 0.00 C ATOM 0 H LEU B 57 -4.340 -10.648 -3.965 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.671 -13.213 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.764 -11.109 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.389 -10.451 -1.807 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.727 -12.975 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.351 -11.516 1.682 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.144 -11.201 0.412 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.506 -10.078 0.644 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.617 -12.229 1.092 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.802 -10.788 0.064 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.096 -12.407 -0.613 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.437 -11.451 -3.173 1.00 0.00 N ATOM 1754 CA LYS B 58 -8.888 -11.506 -3.327 1.00 0.00 C ATOM 1755 C LYS B 58 -9.274 -12.445 -4.474 1.00 0.00 C ATOM 1756 O LYS B 58 -10.161 -13.274 -4.328 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.431 -10.097 -3.616 1.00 0.00 C ATOM 1758 CG LYS B 58 -10.948 -10.022 -3.810 1.00 0.00 C ATOM 1759 CD LYS B 58 -11.406 -8.620 -4.221 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.789 -8.195 -5.556 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.273 -6.880 -6.017 1.00 0.00 N ATOM 0 H LYS B 58 -7.063 -10.502 -3.176 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.321 -11.886 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -9.151 -9.439 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -8.945 -9.712 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -11.252 -10.740 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -11.446 -10.309 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -12.493 -8.600 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -11.129 -7.904 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -9.704 -8.163 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -11.017 -8.946 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.823 -6.643 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.305 -6.914 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -11.033 -6.155 -5.311 1.00 0.00 H new ATOM 1775 N THR B 59 -8.554 -12.328 -5.579 1.00 0.00 N ATOM 1776 CA THR B 59 -8.813 -13.104 -6.782 1.00 0.00 C ATOM 1777 C THR B 59 -8.711 -14.623 -6.512 1.00 0.00 C ATOM 1778 O THR B 59 -9.673 -15.370 -6.739 1.00 0.00 O ATOM 1779 CB THR B 59 -7.826 -12.698 -7.912 1.00 0.00 C ATOM 1780 OG1 THR B 59 -7.888 -11.271 -8.118 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.170 -13.402 -9.221 1.00 0.00 C ATOM 0 H THR B 59 -7.766 -11.686 -5.667 1.00 0.00 H new ATOM 0 HA THR B 59 -9.832 -12.886 -7.100 1.00 0.00 H new ATOM 0 HB THR B 59 -6.822 -12.994 -7.608 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.238 -10.828 -7.534 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.463 -13.099 -9.994 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.113 -14.481 -9.080 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.180 -13.129 -9.526 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.572 -15.061 -5.982 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.338 -16.486 -5.728 1.00 0.00 C ATOM 1791 C LEU B 60 -8.156 -17.007 -4.562 1.00 0.00 C ATOM 1792 O LEU B 60 -8.574 -18.175 -4.556 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.841 -16.818 -5.539 1.00 0.00 C ATOM 1794 CG LEU B 60 -4.964 -16.907 -6.813 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.527 -17.930 -7.781 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -4.789 -15.560 -7.496 1.00 0.00 C ATOM 0 H LEU B 60 -6.796 -14.454 -5.719 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.676 -17.003 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.408 -16.061 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.771 -17.771 -5.015 1.00 0.00 H new ATOM 0 HG LEU B 60 -3.973 -17.231 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.896 -17.977 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.552 -18.909 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.538 -17.641 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.166 -15.680 -8.383 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.764 -15.170 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.311 -14.863 -6.808 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.393 -16.161 -3.593 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.187 -16.532 -2.446 1.00 0.00 C ATOM 1810 C ILE B 61 -10.639 -16.739 -2.823 1.00 0.00 C ATOM 1811 O ILE B 61 -11.219 -17.787 -2.530 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.076 -15.495 -1.315 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -7.696 -15.539 -0.667 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.149 -15.692 -0.277 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.350 -16.873 -0.035 1.00 0.00 C ATOM 0 H ILE B 61 -8.045 -15.202 -3.574 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.787 -17.477 -2.079 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.218 -14.511 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -6.945 -15.301 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -7.640 -14.762 0.096 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.040 -14.942 0.506 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.129 -15.590 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.056 -16.687 0.158 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.353 -16.820 0.403 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.077 -17.106 0.743 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.371 -17.653 -0.796 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.211 -15.772 -3.519 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.611 -15.832 -3.899 1.00 0.00 C ATOM 1829 C LEU B 62 -12.795 -16.994 -4.884 1.00 0.00 C ATOM 1830 O LEU B 62 -13.834 -17.591 -4.951 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.043 -14.465 -4.506 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.551 -14.071 -4.487 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.409 -14.949 -5.376 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.092 -14.054 -3.065 1.00 0.00 C ATOM 0 H LEU B 62 -10.725 -14.932 -3.834 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.248 -16.014 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.492 -13.684 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.711 -14.447 -5.544 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.607 -13.064 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.447 -14.622 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.062 -14.873 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.336 -15.985 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.146 -13.776 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -14.984 -15.044 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.534 -13.329 -2.472 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.732 -17.340 -5.567 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.737 -18.435 -6.542 1.00 0.00 C ATOM 1848 C ASP B 63 -11.749 -19.780 -5.834 1.00 0.00 C ATOM 1849 O ASP B 63 -12.279 -20.751 -6.345 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.466 -18.380 -7.332 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.507 -19.115 -8.646 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -10.215 -20.318 -8.699 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -10.779 -18.473 -9.666 1.00 0.00 O ATOM 0 H ASP B 63 -10.828 -16.876 -5.472 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.620 -18.329 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.218 -17.336 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.660 -18.793 -6.726 1.00 0.00 H new ATOM 1858 N ALA B 64 -11.119 -19.840 -4.676 1.00 0.00 N ATOM 1859 CA ALA B 64 -11.023 -21.057 -3.933 1.00 0.00 C ATOM 1860 C ALA B 64 -12.269 -21.254 -3.102 1.00 0.00 C ATOM 1861 O ALA B 64 -12.791 -22.366 -2.991 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.772 -21.051 -3.052 1.00 0.00 C ATOM 0 H ALA B 64 -10.664 -19.041 -4.235 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.937 -21.891 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.716 -21.985 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.886 -20.949 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.822 -20.214 -2.355 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.781 -20.165 -2.548 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.898 -20.269 -1.637 1.00 0.00 C ATOM 1870 C LEU B 65 -15.183 -20.220 -2.399 1.00 0.00 C ATOM 1871 O LEU B 65 -16.124 -20.965 -2.098 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.870 -19.140 -0.598 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.525 -18.878 0.079 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -12.670 -17.935 1.252 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -11.831 -20.164 0.470 1.00 0.00 C ATOM 0 H LEU B 65 -12.444 -19.216 -2.713 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.820 -21.221 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -14.194 -18.220 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.604 -19.368 0.175 1.00 0.00 H new ATOM 0 HG LEU B 65 -11.885 -18.385 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -11.694 -17.771 1.710 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -13.073 -16.983 0.906 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -13.347 -18.370 1.987 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -10.879 -19.933 0.948 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -12.460 -20.720 1.165 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -11.653 -20.767 -0.421 1.00 0.00 H new ATOM 1887 N LYS B 66 -15.186 -19.373 -3.423 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.321 -19.122 -4.280 1.00 0.00 C ATOM 1889 C LYS B 66 -17.563 -18.832 -3.470 1.00 0.00 C ATOM 1890 O LYS B 66 -18.469 -19.673 -3.352 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.511 -20.250 -5.278 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.397 -20.331 -6.321 1.00 0.00 C ATOM 1893 CD LYS B 66 -15.309 -21.720 -6.906 1.00 0.00 C ATOM 1894 CE LYS B 66 -14.728 -22.684 -5.882 1.00 0.00 C ATOM 1895 NZ LYS B 66 -14.747 -24.083 -6.356 1.00 0.00 N ATOM 0 H LYS B 66 -14.364 -18.827 -3.682 1.00 0.00 H new ATOM 0 HA LYS B 66 -16.121 -18.224 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.564 -21.196 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.466 -20.118 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -15.583 -19.608 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -14.445 -20.063 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -16.299 -22.057 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -14.685 -21.708 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -13.702 -22.394 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -15.294 -22.609 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -14.342 -24.703 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -15.728 -24.371 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -14.185 -24.162 -7.228 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.531 -17.690 -2.813 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.628 -17.244 -1.977 1.00 0.00 C ATOM 1911 C LYS B 67 -19.870 -16.947 -2.823 1.00 0.00 C ATOM 1912 O LYS B 67 -20.934 -17.537 -2.603 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.246 -16.007 -1.151 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.120 -16.195 -0.123 1.00 0.00 C ATOM 1915 CD LYS B 67 -17.043 -14.962 0.772 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.043 -15.114 1.906 1.00 0.00 C ATOM 1917 NZ LYS B 67 -16.081 -13.944 2.849 1.00 0.00 N ATOM 0 H LYS B 67 -16.742 -17.044 -2.844 1.00 0.00 H new ATOM 0 HA LYS B 67 -18.856 -18.054 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.952 -15.214 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -19.135 -15.659 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.306 -17.084 0.479 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.169 -16.349 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.770 -14.097 0.167 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -18.030 -14.760 1.189 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -16.255 -16.031 2.456 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.039 -15.215 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -15.499 -14.153 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -15.708 -13.100 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -17.062 -13.768 3.145 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.713 -16.057 -3.782 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.778 -15.655 -4.712 1.00 0.00 C ATOM 1933 C ASP B 68 -20.204 -14.603 -5.575 1.00 0.00 C ATOM 1934 O ASP B 68 -19.323 -13.842 -5.137 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.997 -15.050 -4.010 1.00 0.00 C ATOM 1936 CG ASP B 68 -23.258 -15.040 -4.872 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -23.262 -14.409 -5.931 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -24.274 -15.640 -4.478 1.00 0.00 O ATOM 0 H ASP B 68 -18.829 -15.577 -3.950 1.00 0.00 H new ATOM 0 HA ASP B 68 -21.115 -16.541 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -22.196 -15.612 -3.097 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.763 -14.028 -3.711 1.00 0.00 H new ATOM 1943 N SER B 69 -20.703 -14.506 -6.744 1.00 0.00 N ATOM 1944 CA SER B 69 -20.226 -13.566 -7.664 1.00 0.00 C ATOM 1945 C SER B 69 -20.874 -12.190 -7.406 1.00 0.00 C ATOM 1946 O SER B 69 -20.264 -11.141 -7.653 1.00 0.00 O ATOM 1947 CB SER B 69 -20.490 -14.059 -9.062 1.00 0.00 C ATOM 1948 OG SER B 69 -19.919 -15.352 -9.265 1.00 0.00 O ATOM 0 H SER B 69 -21.466 -15.088 -7.090 1.00 0.00 H new ATOM 0 HA SER B 69 -19.150 -13.443 -7.545 1.00 0.00 H new ATOM 0 HB2 SER B 69 -21.565 -14.100 -9.240 1.00 0.00 H new ATOM 0 HB3 SER B 69 -20.074 -13.356 -9.784 1.00 0.00 H new ATOM 0 HG SER B 69 -20.105 -15.652 -10.179 1.00 0.00 H new ATOM 1954 N SER B 70 -22.076 -12.201 -6.862 1.00 0.00 N ATOM 1955 CA SER B 70 -22.790 -10.985 -6.552 1.00 0.00 C ATOM 1956 C SER B 70 -22.132 -10.272 -5.364 1.00 0.00 C ATOM 1957 O SER B 70 -22.027 -9.041 -5.330 1.00 0.00 O ATOM 1958 CB SER B 70 -24.238 -11.324 -6.231 1.00 0.00 C ATOM 1959 OG SER B 70 -24.882 -11.967 -7.333 1.00 0.00 O ATOM 0 H SER B 70 -22.582 -13.054 -6.624 1.00 0.00 H new ATOM 0 HA SER B 70 -22.759 -10.316 -7.412 1.00 0.00 H new ATOM 0 HB2 SER B 70 -24.275 -11.974 -5.357 1.00 0.00 H new ATOM 0 HB3 SER B 70 -24.778 -10.413 -5.974 1.00 0.00 H new ATOM 0 HG SER B 70 -25.810 -12.173 -7.095 1.00 0.00 H new ATOM 1965 N ARG B 71 -21.636 -11.052 -4.418 1.00 0.00 N ATOM 1966 CA ARG B 71 -21.013 -10.482 -3.240 1.00 0.00 C ATOM 1967 C ARG B 71 -19.548 -10.214 -3.494 1.00 0.00 C ATOM 1968 O ARG B 71 -18.893 -9.608 -2.690 1.00 0.00 O ATOM 1969 CB ARG B 71 -21.272 -11.351 -1.976 1.00 0.00 C ATOM 1970 CG ARG B 71 -20.488 -12.658 -1.864 1.00 0.00 C ATOM 1971 CD ARG B 71 -19.141 -12.446 -1.191 1.00 0.00 C ATOM 1972 NE ARG B 71 -19.296 -11.984 0.195 1.00 0.00 N ATOM 1973 CZ ARG B 71 -18.305 -11.572 0.995 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -17.064 -11.473 0.531 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.560 -11.250 2.254 1.00 0.00 N ATOM 0 H ARG B 71 -21.653 -12.072 -4.443 1.00 0.00 H new ATOM 0 HA ARG B 71 -21.477 -9.518 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -21.050 -10.746 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -22.335 -11.589 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -21.069 -13.384 -1.296 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -20.337 -13.079 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -18.577 -13.378 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.562 -11.715 -1.756 1.00 0.00 H new ATOM 0 HE ARG B 71 -20.240 -11.977 0.581 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -16.862 -11.712 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -16.313 -11.158 1.146 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -19.512 -11.316 2.615 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -17.805 -10.936 2.863 1.00 0.00 H new ATOM 1989 N HIS B 72 -19.049 -10.648 -4.646 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.669 -10.372 -5.029 1.00 0.00 C ATOM 1991 C HIS B 72 -17.549 -8.873 -5.351 1.00 0.00 C ATOM 1992 O HIS B 72 -16.492 -8.277 -5.237 1.00 0.00 O ATOM 1993 CB HIS B 72 -17.252 -11.247 -6.237 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.764 -11.276 -6.542 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -15.198 -12.066 -7.519 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -14.724 -10.615 -5.964 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.881 -11.871 -7.507 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -13.539 -10.994 -6.579 1.00 0.00 N ATOM 0 H HIS B 72 -19.577 -11.191 -5.329 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.994 -10.621 -4.210 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -17.588 -12.268 -6.057 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.779 -10.889 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -14.808 -9.906 -5.153 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -13.184 -12.364 -8.168 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -12.599 -10.664 -6.360 1.00 0.00 H new ATOM 2006 N SER B 73 -18.668 -8.267 -5.681 1.00 0.00 N ATOM 2007 CA SER B 73 -18.725 -6.849 -5.959 1.00 0.00 C ATOM 2008 C SER B 73 -18.974 -6.041 -4.660 1.00 0.00 C ATOM 2009 O SER B 73 -19.323 -4.848 -4.694 1.00 0.00 O ATOM 2010 CB SER B 73 -19.816 -6.590 -6.981 1.00 0.00 C ATOM 2011 OG SER B 73 -19.610 -7.390 -8.147 1.00 0.00 O ATOM 0 H SER B 73 -19.566 -8.744 -5.764 1.00 0.00 H new ATOM 0 HA SER B 73 -17.768 -6.521 -6.365 1.00 0.00 H new ATOM 0 HB2 SER B 73 -20.790 -6.814 -6.546 1.00 0.00 H new ATOM 0 HB3 SER B 73 -19.824 -5.535 -7.254 1.00 0.00 H new ATOM 0 HG SER B 73 -20.323 -7.213 -8.796 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.785 -6.697 -3.528 1.00 0.00 N ATOM 2018 CA LYS B 74 -18.883 -6.073 -2.236 1.00 0.00 C ATOM 2019 C LYS B 74 -17.829 -6.722 -1.397 1.00 0.00 C ATOM 2020 O LYS B 74 -18.072 -7.722 -0.730 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.275 -6.273 -1.561 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.651 -5.244 -0.432 1.00 0.00 C ATOM 2023 CD LYS B 74 -19.653 -5.112 0.734 1.00 0.00 C ATOM 2024 CE LYS B 74 -19.451 -6.396 1.529 1.00 0.00 C ATOM 2025 NZ LYS B 74 -20.677 -6.894 2.175 1.00 0.00 N ATOM 0 H LYS B 74 -18.557 -7.690 -3.489 1.00 0.00 H new ATOM 0 HA LYS B 74 -18.754 -4.996 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.041 -6.228 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.309 -7.276 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -20.772 -4.263 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -21.621 -5.526 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.691 -4.787 0.339 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -20.001 -4.330 1.409 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.063 -7.167 0.863 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.693 -6.224 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.460 -7.759 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -21.047 -6.169 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.390 -7.106 1.449 1.00 0.00 H new ATOM 2039 N LEU B 75 -16.668 -6.238 -1.495 1.00 0.00 N ATOM 2040 CA LEU B 75 -15.610 -6.737 -0.708 1.00 0.00 C ATOM 2041 C LEU B 75 -15.000 -5.651 0.100 1.00 0.00 C ATOM 2042 O LEU B 75 -14.544 -4.636 -0.424 1.00 0.00 O ATOM 2043 CB LEU B 75 -14.570 -7.480 -1.531 1.00 0.00 C ATOM 2044 CG LEU B 75 -14.591 -9.018 -1.450 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -14.488 -9.518 -0.015 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -15.789 -9.616 -2.161 1.00 0.00 C ATOM 0 H LEU B 75 -16.412 -5.478 -2.125 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.034 -7.472 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -14.694 -7.193 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -13.583 -7.137 -1.221 1.00 0.00 H new ATOM 0 HG LEU B 75 -13.702 -9.364 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -14.507 -10.608 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -13.555 -9.168 0.426 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -15.329 -9.137 0.564 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -15.758 -10.702 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -16.706 -9.242 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -15.765 -9.334 -3.214 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.018 -5.858 1.374 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.443 -4.929 2.305 1.00 0.00 C ATOM 2060 C GLU B 76 -13.031 -5.367 2.486 1.00 0.00 C ATOM 2061 O GLU B 76 -12.772 -6.565 2.400 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.129 -5.017 3.670 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.635 -4.882 3.663 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.198 -4.939 5.069 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -17.486 -6.041 5.581 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.351 -3.877 5.704 1.00 0.00 O ATOM 0 H GLU B 76 -15.434 -6.682 1.808 1.00 0.00 H new ATOM 0 HA GLU B 76 -14.544 -3.910 1.933 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -14.872 -5.974 4.123 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -14.717 -4.239 4.313 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -16.916 -3.939 3.194 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.071 -5.679 3.061 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.128 -4.450 2.752 1.00 0.00 N ATOM 2074 CA LYS B 77 -10.735 -4.804 2.996 1.00 0.00 C ATOM 2075 C LYS B 77 -10.633 -5.877 4.078 1.00 0.00 C ATOM 2076 O LYS B 77 -9.959 -6.883 3.910 1.00 0.00 O ATOM 2077 CB LYS B 77 -9.936 -3.559 3.364 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.530 -3.853 3.842 1.00 0.00 C ATOM 2079 CD LYS B 77 -7.656 -2.598 3.908 1.00 0.00 C ATOM 2080 CE LYS B 77 -7.418 -1.972 2.540 1.00 0.00 C ATOM 2081 NZ LYS B 77 -6.628 -0.730 2.635 1.00 0.00 N ATOM 0 H LYS B 77 -12.327 -3.451 2.806 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.310 -5.221 2.083 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -9.884 -2.902 2.496 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.468 -3.015 4.144 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.575 -4.312 4.829 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.067 -4.579 3.173 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -8.130 -1.865 4.561 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -6.696 -2.852 4.358 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -6.899 -2.685 1.900 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.376 -1.758 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -6.487 -0.334 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -7.135 -0.040 3.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -5.703 -0.939 3.063 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.384 -5.673 5.133 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.465 -6.598 6.260 1.00 0.00 C ATOM 2097 C ALA B 78 -11.983 -7.976 5.844 1.00 0.00 C ATOM 2098 O ALA B 78 -11.580 -8.979 6.402 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.386 -6.026 7.312 1.00 0.00 C ATOM 0 H ALA B 78 -11.971 -4.846 5.244 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.456 -6.724 6.653 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.448 -6.715 8.155 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -11.996 -5.068 7.655 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.379 -5.882 6.887 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.824 -8.009 4.822 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.480 -9.262 4.403 1.00 0.00 C ATOM 2107 C ASP B 79 -12.481 -10.074 3.649 1.00 0.00 C ATOM 2108 O ASP B 79 -12.349 -11.278 3.849 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.686 -8.983 3.492 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.614 -10.202 3.302 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -15.293 -11.153 2.536 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.714 -10.208 3.889 1.00 0.00 O ATOM 0 H ASP B 79 -13.075 -7.194 4.263 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.838 -9.790 5.287 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -15.264 -8.159 3.911 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -14.326 -8.656 2.517 1.00 0.00 H new ATOM 2117 N ILE B 80 -11.737 -9.368 2.827 1.00 0.00 N ATOM 2118 CA ILE B 80 -10.705 -9.921 1.984 1.00 0.00 C ATOM 2119 C ILE B 80 -9.588 -10.488 2.835 1.00 0.00 C ATOM 2120 O ILE B 80 -9.225 -11.657 2.683 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.141 -8.826 1.051 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.278 -8.180 0.276 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.134 -9.426 0.095 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -10.918 -6.899 -0.413 1.00 0.00 C ATOM 0 H ILE B 80 -11.839 -8.358 2.725 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.136 -10.720 1.380 1.00 0.00 H new ATOM 0 HB ILE B 80 -9.641 -8.066 1.652 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -11.640 -8.888 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.104 -7.988 0.961 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -8.743 -8.646 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.315 -9.870 0.661 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.618 -10.195 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -11.790 -6.512 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -10.586 -6.169 0.326 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.115 -7.083 -1.127 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.088 -9.663 3.762 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.009 -10.057 4.666 1.00 0.00 C ATOM 2138 C LEU B 81 -8.408 -11.303 5.416 1.00 0.00 C ATOM 2139 O LEU B 81 -7.665 -12.298 5.440 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.722 -8.962 5.695 1.00 0.00 C ATOM 2141 CG LEU B 81 -7.325 -7.585 5.187 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -7.169 -6.643 6.364 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.043 -7.645 4.366 1.00 0.00 C ATOM 0 H LEU B 81 -9.420 -8.709 3.904 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.118 -10.231 4.063 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.612 -8.845 6.314 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.925 -9.319 6.347 1.00 0.00 H new ATOM 0 HG LEU B 81 -8.111 -7.213 4.529 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.884 -5.654 6.004 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -8.114 -6.575 6.903 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -6.396 -7.022 7.033 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.787 -6.644 4.018 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.233 -8.033 4.984 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.191 -8.301 3.508 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.609 -11.258 5.977 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.140 -12.326 6.752 1.00 0.00 C ATOM 2157 C GLU B 82 -10.283 -13.591 5.926 1.00 0.00 C ATOM 2158 O GLU B 82 -9.968 -14.653 6.415 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.463 -11.910 7.384 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.141 -12.957 8.176 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.536 -12.571 8.584 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -14.483 -12.878 7.820 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -13.716 -11.997 9.660 1.00 0.00 O ATOM 0 H GLU B 82 -10.236 -10.458 5.894 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.439 -12.552 7.555 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.284 -11.049 8.028 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -12.137 -11.582 6.593 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.180 -13.878 7.594 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.552 -13.169 9.069 1.00 0.00 H new ATOM 2170 N MET B 83 -10.703 -13.474 4.657 1.00 0.00 N ATOM 2171 CA MET B 83 -10.859 -14.656 3.818 1.00 0.00 C ATOM 2172 C MET B 83 -9.560 -15.443 3.725 1.00 0.00 C ATOM 2173 O MET B 83 -9.562 -16.661 3.899 1.00 0.00 O ATOM 2174 CB MET B 83 -11.363 -14.340 2.410 1.00 0.00 C ATOM 2175 CG MET B 83 -12.802 -13.900 2.284 1.00 0.00 C ATOM 2176 SD MET B 83 -13.368 -13.791 0.554 1.00 0.00 S ATOM 2177 CE MET B 83 -12.294 -12.527 -0.116 1.00 0.00 C ATOM 0 H MET B 83 -10.935 -12.590 4.203 1.00 0.00 H new ATOM 0 HA MET B 83 -11.621 -15.260 4.309 1.00 0.00 H new ATOM 0 HB2 MET B 83 -10.731 -13.557 1.991 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.224 -15.227 1.792 1.00 0.00 H new ATOM 0 HG2 MET B 83 -13.438 -14.600 2.825 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.921 -12.927 2.761 1.00 0.00 H new ATOM 0 HE1 MET B 83 -12.397 -12.500 -1.201 1.00 0.00 H new ATOM 0 HE2 MET B 83 -12.570 -11.558 0.299 1.00 0.00 H new ATOM 0 HE3 MET B 83 -11.260 -12.752 0.145 1.00 0.00 H new ATOM 2187 N THR B 84 -8.455 -14.743 3.494 1.00 0.00 N ATOM 2188 CA THR B 84 -7.143 -15.367 3.416 1.00 0.00 C ATOM 2189 C THR B 84 -6.795 -16.096 4.711 1.00 0.00 C ATOM 2190 O THR B 84 -6.398 -17.260 4.694 1.00 0.00 O ATOM 2191 CB THR B 84 -6.074 -14.309 3.165 1.00 0.00 C ATOM 2192 OG1 THR B 84 -6.716 -13.045 2.996 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.280 -14.635 1.919 1.00 0.00 C ATOM 0 H THR B 84 -8.445 -13.732 3.356 1.00 0.00 H new ATOM 0 HA THR B 84 -7.173 -16.084 2.596 1.00 0.00 H new ATOM 0 HB THR B 84 -5.391 -14.283 4.014 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.989 -12.697 3.871 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.523 -13.867 1.759 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.795 -15.604 2.040 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.950 -14.669 1.060 1.00 0.00 H new ATOM 2201 N VAL B 85 -6.981 -15.407 5.822 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.655 -15.931 7.135 1.00 0.00 C ATOM 2203 C VAL B 85 -7.536 -17.149 7.475 1.00 0.00 C ATOM 2204 O VAL B 85 -7.046 -18.164 7.965 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.851 -14.849 8.209 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.414 -15.308 9.573 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.144 -13.589 7.851 1.00 0.00 C ATOM 0 H VAL B 85 -7.365 -14.462 5.838 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.610 -16.242 7.119 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.923 -14.654 8.248 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.573 -14.507 10.295 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.996 -16.182 9.866 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.356 -15.568 9.548 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.305 -12.847 8.633 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.077 -13.786 7.752 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.532 -13.210 6.906 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.825 -17.053 7.205 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.736 -18.151 7.488 1.00 0.00 C ATOM 2219 C LYS B 86 -9.450 -19.350 6.595 1.00 0.00 C ATOM 2220 O LYS B 86 -9.464 -20.495 7.054 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.183 -17.719 7.355 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.510 -16.486 8.178 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.978 -16.215 8.237 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.546 -15.903 6.877 1.00 0.00 C ATOM 2225 NZ LYS B 86 -14.921 -15.397 6.969 1.00 0.00 N ATOM 0 H LYS B 86 -9.265 -16.231 6.792 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.569 -18.451 8.522 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.402 -17.518 6.306 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.831 -18.539 7.665 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.126 -16.615 9.190 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.000 -15.622 7.752 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.491 -17.081 8.655 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.166 -15.378 8.910 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -12.918 -15.163 6.381 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.529 -16.801 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.442 -15.648 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.393 -15.822 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -14.904 -14.363 7.075 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.136 -19.085 5.330 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.808 -20.149 4.390 1.00 0.00 C ATOM 2241 C HIS B 87 -7.485 -20.798 4.794 1.00 0.00 C ATOM 2242 O HIS B 87 -7.252 -21.975 4.522 1.00 0.00 O ATOM 2243 CB HIS B 87 -8.756 -19.622 2.942 1.00 0.00 C ATOM 2244 CG HIS B 87 -8.604 -20.694 1.887 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -7.891 -20.536 0.722 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -9.144 -21.938 1.820 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -8.018 -21.651 0.003 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -8.770 -22.537 0.624 1.00 0.00 N ATOM 0 H HIS B 87 -9.102 -18.145 4.934 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.594 -20.903 4.425 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -9.668 -19.060 2.741 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -7.924 -18.923 2.853 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -9.767 -22.391 2.578 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -7.563 -21.808 -0.964 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -9.024 -23.468 0.295 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.640 -20.022 5.460 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.386 -20.510 5.992 1.00 0.00 C ATOM 2258 C LEU B 88 -5.692 -21.613 6.999 1.00 0.00 C ATOM 2259 O LEU B 88 -5.093 -22.677 6.934 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.588 -19.330 6.623 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.135 -19.561 7.114 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.506 -18.223 7.420 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -3.080 -20.412 8.376 1.00 0.00 C ATOM 0 H LEU B 88 -6.811 -19.033 5.644 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.760 -20.929 5.204 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.559 -18.526 5.887 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.165 -18.964 7.473 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.600 -20.088 6.324 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.483 -18.372 7.766 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.498 -17.610 6.519 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -3.082 -17.719 8.196 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.042 -20.545 8.680 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.631 -19.915 9.174 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.528 -21.386 8.178 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.669 -21.366 7.903 1.00 0.00 N ATOM 2276 CA ARG B 89 -7.099 -22.410 8.861 1.00 0.00 C ATOM 2277 C ARG B 89 -7.573 -23.631 8.112 1.00 0.00 C ATOM 2278 O ARG B 89 -7.166 -24.743 8.421 1.00 0.00 O ATOM 2279 CB ARG B 89 -8.241 -21.973 9.822 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.870 -21.077 11.005 1.00 0.00 C ATOM 2281 CD ARG B 89 -7.492 -19.687 10.584 1.00 0.00 C ATOM 2282 NE ARG B 89 -7.281 -18.799 11.740 1.00 0.00 N ATOM 2283 CZ ARG B 89 -7.798 -17.561 11.869 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -8.781 -17.160 11.074 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -7.389 -16.771 12.859 1.00 0.00 N ATOM 0 H ARG B 89 -7.163 -20.478 7.989 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.219 -22.615 9.471 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.996 -21.454 9.232 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.710 -22.874 10.218 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.712 -21.027 11.695 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -7.039 -21.526 11.549 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.582 -19.724 9.985 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.276 -19.275 9.948 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.699 -19.148 12.501 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.149 -17.790 10.361 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.169 -16.222 11.176 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.685 -17.103 13.519 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -7.779 -15.834 12.958 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.400 -23.393 7.099 1.00 0.00 N ATOM 2300 CA ASN B 90 -8.995 -24.453 6.278 1.00 0.00 C ATOM 2301 C ASN B 90 -7.931 -25.337 5.680 1.00 0.00 C ATOM 2302 O ASN B 90 -7.956 -26.545 5.845 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.877 -23.883 5.150 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.111 -23.139 5.627 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.657 -23.423 6.694 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.589 -22.212 4.821 1.00 0.00 N ATOM 0 H ASN B 90 -8.681 -22.453 6.819 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.625 -25.044 6.943 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.275 -23.208 4.542 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.190 -24.702 4.503 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.437 -21.704 5.074 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.111 -22.002 3.945 1.00 0.00 H new ATOM 2313 N LEU B 91 -6.970 -24.725 5.039 1.00 0.00 N ATOM 2314 CA LEU B 91 -5.890 -25.444 4.411 1.00 0.00 C ATOM 2315 C LEU B 91 -4.993 -26.118 5.441 1.00 0.00 C ATOM 2316 O LEU B 91 -4.505 -27.204 5.213 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.099 -24.514 3.515 1.00 0.00 C ATOM 2318 CG LEU B 91 -5.851 -23.968 2.302 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -5.029 -22.906 1.608 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.162 -25.092 1.330 1.00 0.00 C ATOM 0 H LEU B 91 -6.913 -23.712 4.937 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.318 -26.236 3.796 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -4.750 -23.672 4.113 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.214 -25.044 3.163 1.00 0.00 H new ATOM 0 HG LEU B 91 -6.785 -23.524 2.645 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.578 -22.527 0.746 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.831 -22.088 2.301 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.084 -23.336 1.276 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.698 -24.691 0.470 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.232 -25.552 0.996 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.780 -25.841 1.825 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.846 -25.501 6.591 1.00 0.00 N ATOM 2333 CA GLN B 92 -4.029 -26.050 7.678 1.00 0.00 C ATOM 2334 C GLN B 92 -4.715 -27.257 8.355 1.00 0.00 C ATOM 2335 O GLN B 92 -4.082 -28.007 9.094 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.703 -24.956 8.709 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.559 -24.035 8.336 1.00 0.00 C ATOM 2338 CD GLN B 92 -1.209 -24.679 8.582 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -1.057 -25.539 9.463 1.00 0.00 O ATOM 2340 NE2 GLN B 92 -0.221 -24.257 7.867 1.00 0.00 N ATOM 0 H GLN B 92 -5.283 -24.606 6.811 1.00 0.00 H new ATOM 0 HA GLN B 92 -3.096 -26.410 7.244 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.596 -24.352 8.869 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.467 -25.434 9.660 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.643 -23.760 7.285 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.632 -23.114 8.914 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.377 -23.549 7.150 1.00 0.00 H new ATOM 0 HE22 GLN B 92 0.715 -24.632 8.019 1.00 0.00 H new ATOM 2349 N ARG B 93 -6.003 -27.437 8.094 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.763 -28.562 8.649 1.00 0.00 C ATOM 2351 C ARG B 93 -7.251 -29.470 7.521 1.00 0.00 C ATOM 2352 O ARG B 93 -8.062 -30.369 7.724 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.947 -28.036 9.523 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.982 -27.179 8.779 1.00 0.00 C ATOM 2355 CD ARG B 93 -10.085 -27.999 8.111 1.00 0.00 C ATOM 2356 NE ARG B 93 -11.041 -28.517 9.094 1.00 0.00 N ATOM 2357 CZ ARG B 93 -11.346 -29.805 9.301 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -10.652 -30.771 8.712 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -12.326 -30.118 10.137 1.00 0.00 N ATOM 0 H ARG B 93 -6.551 -26.817 7.498 1.00 0.00 H new ATOM 0 HA ARG B 93 -6.115 -29.153 9.296 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -8.458 -28.891 9.965 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -7.537 -27.449 10.345 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -9.435 -26.479 9.481 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.472 -26.584 8.021 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.610 -27.380 7.383 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.641 -28.829 7.562 1.00 0.00 H new ATOM 0 HE ARG B 93 -11.520 -27.831 9.677 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -9.876 -30.537 8.093 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -10.895 -31.748 8.878 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -12.842 -29.381 10.617 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -12.564 -31.096 10.300 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.735 -29.234 6.340 1.00 0.00 N ATOM 2374 CA ALA B 94 -7.137 -29.966 5.139 1.00 0.00 C ATOM 2375 C ALA B 94 -6.199 -31.127 4.867 1.00 0.00 C ATOM 2376 O ALA B 94 -6.041 -31.559 3.717 1.00 0.00 O ATOM 2377 CB ALA B 94 -7.105 -29.021 3.969 1.00 0.00 C ATOM 0 H ALA B 94 -6.019 -28.527 6.172 1.00 0.00 H new ATOM 0 HA ALA B 94 -8.140 -30.365 5.288 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -7.402 -29.552 3.065 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.794 -28.196 4.149 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -6.095 -28.630 3.845 1.00 0.00 H new ATOM 2383 N GLN B 95 -5.609 -31.645 5.909 1.00 0.00 N ATOM 2384 CA GLN B 95 -4.637 -32.693 5.768 1.00 0.00 C ATOM 2385 C GLN B 95 -5.345 -34.028 5.973 1.00 0.00 C ATOM 2386 O GLN B 95 -5.403 -34.510 7.135 1.00 0.00 O ATOM 2387 CB GLN B 95 -3.526 -32.542 6.814 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.991 -31.123 7.031 1.00 0.00 C ATOM 2389 CD GLN B 95 -2.442 -30.466 5.797 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -1.273 -30.629 5.448 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -3.237 -29.650 5.180 1.00 0.00 N ATOM 0 H GLN B 95 -5.786 -31.356 6.871 1.00 0.00 H new ATOM 0 HA GLN B 95 -4.186 -32.642 4.777 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -3.899 -32.917 7.767 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -2.693 -33.182 6.524 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -3.794 -30.503 7.430 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -2.208 -31.156 7.788 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -4.200 -29.540 5.496 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -2.900 -29.118 4.378 1.00 0.00 H new