USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=27 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 :FLIP no HD1:sc= -3.48 X(o=-6!,f=-5.5) USER MOD Set 1.2: B 90 ASN : amide:sc= -2.03! C(o=-5.5!,f=-6!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.0408 (180deg=-0.308) USER MOD Single : A 51 ASN : amide:sc= 0.231 X(o=0.23,f=-0.0053) USER MOD Single : A 53 SER OG : rot 74:sc= 1.25 USER MOD Single : A 55 SER OG : rot 79:sc= 1.21 USER MOD Single : A 56 GLN : amide:sc= 0.487 K(o=0.49,f=-0.27) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0187 (180deg=-0.195) USER MOD Single : A 59 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -1.83 X(o=-1.8,f=-1.6) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 164:sc= -0.259 (180deg=-0.887) USER MOD Single : A 84 THR OG1 : rot 83:sc= -0.63 USER MOD Single : A 86 LYS NZ :NH3+ -116:sc= 0.699 (180deg=-0.274) USER MOD Single : A 87 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-7.2!) USER MOD Single : A 90 ASN : amide:sc= 0.0538 K(o=0.054,f=-2.3!) USER MOD Single : A 92 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.6!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0.979 K(o=0.98,f=-0.15) USER MOD Single : B 53 SER OG : rot -92:sc= 1.25 USER MOD Single : B 55 SER OG : rot 80:sc= 1.25 USER MOD Single : B 56 GLN : amide:sc= 0.471 K(o=0.47,f=-0.051) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 65:sc= 1.26 USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ -169:sc= 0.652 (180deg=0.392) USER MOD Single : B 69 SER OG : rot 180:sc= 0.0184 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 HIS :FLIP no HD1:sc= -0.822 F(o=-1.4,f=-0.82) USER MOD Single : B 73 SER OG : rot 67:sc= 1.27 USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 150:sc= -0.159 (180deg=-0.71) USER MOD Single : B 84 THR OG1 : rot 90:sc= 0.182 USER MOD Single : B 86 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.1) USER MOD Single : B 92 GLN : amide:sc= 1.04 K(o=1,f=-8.2!) USER MOD Single : B 95 GLN :FLIP amide:sc= -2.62! C(o=-5.2!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -19.354 4.338 11.002 1.00 0.00 N ATOM 269 CA MET A 42 -19.419 3.161 10.139 1.00 0.00 C ATOM 270 C MET A 42 -18.097 2.884 9.464 1.00 0.00 C ATOM 271 O MET A 42 -17.623 1.740 9.440 1.00 0.00 O ATOM 272 CB MET A 42 -20.518 3.293 9.106 1.00 0.00 C ATOM 273 CG MET A 42 -21.877 3.386 9.735 1.00 0.00 C ATOM 274 SD MET A 42 -22.232 1.979 10.790 1.00 0.00 S ATOM 275 CE MET A 42 -23.804 2.475 11.463 1.00 0.00 C ATOM 0 HA MET A 42 -19.651 2.313 10.783 1.00 0.00 H new ATOM 0 HB2 MET A 42 -20.339 4.180 8.498 1.00 0.00 H new ATOM 0 HB3 MET A 42 -20.488 2.435 8.434 1.00 0.00 H new ATOM 0 HG2 MET A 42 -21.943 4.303 10.321 1.00 0.00 H new ATOM 0 HG3 MET A 42 -22.634 3.452 8.953 1.00 0.00 H new ATOM 0 HE1 MET A 42 -24.167 1.705 12.144 1.00 0.00 H new ATOM 0 HE2 MET A 42 -23.688 3.414 12.005 1.00 0.00 H new ATOM 0 HE3 MET A 42 -24.520 2.610 10.653 1.00 0.00 H new ATOM 285 N GLU A 43 -17.477 3.932 8.956 1.00 0.00 N ATOM 286 CA GLU A 43 -16.202 3.778 8.284 1.00 0.00 C ATOM 287 C GLU A 43 -15.083 3.544 9.294 1.00 0.00 C ATOM 288 O GLU A 43 -14.075 2.928 8.970 1.00 0.00 O ATOM 289 CB GLU A 43 -15.884 4.960 7.362 1.00 0.00 C ATOM 290 CG GLU A 43 -15.724 6.294 8.061 1.00 0.00 C ATOM 291 CD GLU A 43 -15.425 7.397 7.094 1.00 0.00 C ATOM 292 OE1 GLU A 43 -16.375 7.998 6.549 1.00 0.00 O ATOM 293 OE2 GLU A 43 -14.231 7.686 6.849 1.00 0.00 O ATOM 0 H GLU A 43 -17.830 4.888 8.995 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.277 2.897 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.965 4.740 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -16.679 5.048 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.637 6.529 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.920 6.226 8.794 1.00 0.00 H new ATOM 300 N LYS A 44 -15.293 4.000 10.527 1.00 0.00 N ATOM 301 CA LYS A 44 -14.333 3.789 11.591 1.00 0.00 C ATOM 302 C LYS A 44 -14.330 2.326 11.957 1.00 0.00 C ATOM 303 O LYS A 44 -13.280 1.719 12.141 1.00 0.00 O ATOM 304 CB LYS A 44 -14.702 4.600 12.808 1.00 0.00 C ATOM 305 CG LYS A 44 -13.653 4.556 13.881 1.00 0.00 C ATOM 306 CD LYS A 44 -14.039 5.402 15.060 1.00 0.00 C ATOM 307 CE LYS A 44 -15.212 4.814 15.839 1.00 0.00 C ATOM 308 NZ LYS A 44 -14.881 3.490 16.415 1.00 0.00 N ATOM 0 H LYS A 44 -16.125 4.519 10.808 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.347 4.101 11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.868 5.636 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.644 4.230 13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.504 3.526 14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.702 4.904 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.181 5.507 15.724 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.300 6.403 14.716 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.496 5.498 16.639 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.075 4.718 15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.569 3.253 17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.916 2.768 15.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.925 3.518 16.824 1.00 0.00 H new ATOM 322 N ARG A 45 -15.534 1.763 12.035 1.00 0.00 N ATOM 323 CA ARG A 45 -15.733 0.349 12.306 1.00 0.00 C ATOM 324 C ARG A 45 -15.013 -0.472 11.261 1.00 0.00 C ATOM 325 O ARG A 45 -14.328 -1.445 11.581 1.00 0.00 O ATOM 326 CB ARG A 45 -17.217 0.007 12.289 1.00 0.00 C ATOM 327 CG ARG A 45 -18.010 0.645 13.410 1.00 0.00 C ATOM 328 CD ARG A 45 -19.497 0.457 13.198 1.00 0.00 C ATOM 329 NE ARG A 45 -19.867 -0.963 13.111 1.00 0.00 N ATOM 330 CZ ARG A 45 -21.056 -1.443 12.696 1.00 0.00 C ATOM 331 NH1 ARG A 45 -22.040 -0.628 12.350 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.247 -2.737 12.626 1.00 0.00 N ATOM 0 H ARG A 45 -16.403 2.283 11.910 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.332 0.121 13.294 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.640 0.320 11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.330 -1.075 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.717 0.206 14.363 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.778 1.709 13.464 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -20.042 0.924 14.019 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.800 0.967 12.284 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.162 -1.645 13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.905 0.382 12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -22.933 -1.010 12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.497 -3.378 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.146 -3.104 12.312 1.00 0.00 H new ATOM 346 N ARG A 46 -15.147 -0.051 10.018 1.00 0.00 N ATOM 347 CA ARG A 46 -14.479 -0.694 8.917 1.00 0.00 C ATOM 348 C ARG A 46 -12.975 -0.574 9.063 1.00 0.00 C ATOM 349 O ARG A 46 -12.278 -1.570 8.998 1.00 0.00 O ATOM 350 CB ARG A 46 -14.906 -0.091 7.592 1.00 0.00 C ATOM 351 CG ARG A 46 -14.184 -0.695 6.400 1.00 0.00 C ATOM 352 CD ARG A 46 -14.561 0.007 5.132 1.00 0.00 C ATOM 353 NE ARG A 46 -15.971 -0.167 4.822 1.00 0.00 N ATOM 354 CZ ARG A 46 -16.675 0.620 4.014 1.00 0.00 C ATOM 355 NH1 ARG A 46 -16.150 1.744 3.546 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.917 0.294 3.704 1.00 0.00 N ATOM 0 H ARG A 46 -15.723 0.747 9.749 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.760 -1.747 8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.980 -0.229 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.723 0.983 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.107 -0.628 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.429 -1.754 6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.337 1.070 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.957 -0.377 4.310 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.456 -0.952 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.200 2.010 3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.696 2.343 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.331 -0.557 4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.462 0.894 3.085 1.00 0.00 H new ATOM 370 N ARG A 47 -12.499 0.651 9.264 1.00 0.00 N ATOM 371 CA ARG A 47 -11.080 0.950 9.413 1.00 0.00 C ATOM 372 C ARG A 47 -10.454 0.102 10.508 1.00 0.00 C ATOM 373 O ARG A 47 -9.385 -0.491 10.314 1.00 0.00 O ATOM 374 CB ARG A 47 -10.880 2.430 9.712 1.00 0.00 C ATOM 375 CG ARG A 47 -9.434 2.866 9.684 1.00 0.00 C ATOM 376 CD ARG A 47 -9.299 4.329 10.018 1.00 0.00 C ATOM 377 NE ARG A 47 -7.914 4.780 9.887 1.00 0.00 N ATOM 378 CZ ARG A 47 -7.528 6.037 9.650 1.00 0.00 C ATOM 379 NH1 ARG A 47 -8.431 7.017 9.549 1.00 0.00 N ATOM 380 NH2 ARG A 47 -6.234 6.311 9.521 1.00 0.00 N ATOM 0 H ARG A 47 -13.097 1.475 9.329 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.584 0.709 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.441 3.017 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.298 2.653 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.859 2.273 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.013 2.675 8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.938 4.915 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.646 4.505 11.036 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.182 4.077 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.424 6.808 9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.127 7.974 9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.544 5.564 9.603 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.931 7.268 9.340 1.00 0.00 H new ATOM 394 N ALA A 48 -11.131 0.020 11.635 1.00 0.00 N ATOM 395 CA ALA A 48 -10.699 -0.790 12.735 1.00 0.00 C ATOM 396 C ALA A 48 -10.578 -2.237 12.297 1.00 0.00 C ATOM 397 O ALA A 48 -9.525 -2.848 12.489 1.00 0.00 O ATOM 398 CB ALA A 48 -11.652 -0.656 13.907 1.00 0.00 C ATOM 0 H ALA A 48 -12.003 0.521 11.806 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.719 -0.444 13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.305 -1.279 14.731 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.688 0.385 14.229 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.649 -0.977 13.604 1.00 0.00 H new ATOM 404 N ARG A 49 -11.621 -2.758 11.633 1.00 0.00 N ATOM 405 CA ARG A 49 -11.610 -4.144 11.161 1.00 0.00 C ATOM 406 C ARG A 49 -10.483 -4.382 10.157 1.00 0.00 C ATOM 407 O ARG A 49 -9.905 -5.460 10.133 1.00 0.00 O ATOM 408 CB ARG A 49 -12.938 -4.582 10.529 1.00 0.00 C ATOM 409 CG ARG A 49 -14.158 -4.526 11.419 1.00 0.00 C ATOM 410 CD ARG A 49 -15.324 -5.292 10.791 1.00 0.00 C ATOM 411 NE ARG A 49 -15.678 -4.837 9.421 1.00 0.00 N ATOM 412 CZ ARG A 49 -15.795 -5.664 8.348 1.00 0.00 C ATOM 413 NH1 ARG A 49 -15.389 -6.929 8.431 1.00 0.00 N ATOM 414 NH2 ARG A 49 -16.259 -5.208 7.183 1.00 0.00 N ATOM 0 H ARG A 49 -12.474 -2.243 11.414 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.448 -4.748 12.054 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.123 -3.956 9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.824 -5.605 10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.922 -4.950 12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.446 -3.488 11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.073 -6.352 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.199 -5.192 11.433 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.844 -3.841 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.989 -7.280 9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.478 -7.547 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.531 -4.229 7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.342 -5.838 6.385 1.00 0.00 H new ATOM 428 N ILE A 50 -10.191 -3.380 9.318 1.00 0.00 N ATOM 429 CA ILE A 50 -9.110 -3.471 8.337 1.00 0.00 C ATOM 430 C ILE A 50 -7.792 -3.750 9.043 1.00 0.00 C ATOM 431 O ILE A 50 -7.118 -4.735 8.740 1.00 0.00 O ATOM 432 CB ILE A 50 -9.004 -2.176 7.478 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.299 -1.980 6.681 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.802 -2.248 6.525 1.00 0.00 C ATOM 435 CD1 ILE A 50 -10.408 -0.656 5.970 1.00 0.00 C ATOM 0 H ILE A 50 -10.694 -2.493 9.302 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.337 -4.295 7.660 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.857 -1.326 8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.381 -2.780 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.146 -2.083 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.749 -1.332 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.885 -2.361 7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.917 -3.102 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.356 -0.608 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.362 0.153 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.585 -0.554 5.262 1.00 0.00 H new ATOM 447 N ASN A 51 -7.474 -2.931 10.038 1.00 0.00 N ATOM 448 CA ASN A 51 -6.239 -3.116 10.807 1.00 0.00 C ATOM 449 C ASN A 51 -6.263 -4.429 11.533 1.00 0.00 C ATOM 450 O ASN A 51 -5.271 -5.139 11.549 1.00 0.00 O ATOM 451 CB ASN A 51 -5.981 -1.987 11.813 1.00 0.00 C ATOM 452 CG ASN A 51 -5.768 -0.634 11.183 1.00 0.00 C ATOM 453 OD1 ASN A 51 -4.650 -0.291 10.779 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.809 0.163 11.135 1.00 0.00 N ATOM 0 H ASN A 51 -8.044 -2.139 10.333 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.426 -3.101 10.082 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.826 -1.927 12.499 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.104 -2.240 12.409 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.713 1.104 10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.714 -0.159 11.479 1.00 0.00 H new ATOM 461 N GLU A 52 -7.408 -4.764 12.103 1.00 0.00 N ATOM 462 CA GLU A 52 -7.574 -6.023 12.833 1.00 0.00 C ATOM 463 C GLU A 52 -7.307 -7.228 11.950 1.00 0.00 C ATOM 464 O GLU A 52 -6.635 -8.175 12.360 1.00 0.00 O ATOM 465 CB GLU A 52 -8.972 -6.136 13.436 1.00 0.00 C ATOM 466 CG GLU A 52 -9.265 -5.106 14.505 1.00 0.00 C ATOM 467 CD GLU A 52 -8.259 -5.169 15.619 1.00 0.00 C ATOM 468 OE1 GLU A 52 -8.340 -6.082 16.460 1.00 0.00 O ATOM 469 OE2 GLU A 52 -7.335 -4.323 15.659 1.00 0.00 O ATOM 0 H GLU A 52 -8.245 -4.182 12.077 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.839 -6.013 13.637 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.709 -6.038 12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.094 -7.132 13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.259 -4.110 14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.265 -5.271 14.906 1.00 0.00 H new ATOM 476 N SER A 53 -7.794 -7.177 10.737 1.00 0.00 N ATOM 477 CA SER A 53 -7.661 -8.274 9.843 1.00 0.00 C ATOM 478 C SER A 53 -6.242 -8.333 9.283 1.00 0.00 C ATOM 479 O SER A 53 -5.652 -9.383 9.247 1.00 0.00 O ATOM 480 CB SER A 53 -8.709 -8.169 8.740 1.00 0.00 C ATOM 481 OG SER A 53 -10.012 -8.024 9.306 1.00 0.00 O ATOM 0 H SER A 53 -8.290 -6.373 10.352 1.00 0.00 H new ATOM 0 HA SER A 53 -7.834 -9.207 10.379 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.487 -7.316 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.675 -9.059 8.111 1.00 0.00 H new ATOM 0 HG SER A 53 -10.117 -7.115 9.658 1.00 0.00 H new ATOM 487 N LEU A 54 -5.685 -7.168 8.930 1.00 0.00 N ATOM 488 CA LEU A 54 -4.340 -7.053 8.350 1.00 0.00 C ATOM 489 C LEU A 54 -3.287 -7.512 9.367 1.00 0.00 C ATOM 490 O LEU A 54 -2.343 -8.236 9.038 1.00 0.00 O ATOM 491 CB LEU A 54 -4.099 -5.569 7.983 1.00 0.00 C ATOM 492 CG LEU A 54 -3.107 -5.249 6.846 1.00 0.00 C ATOM 493 CD1 LEU A 54 -3.155 -3.765 6.516 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.675 -5.657 7.177 1.00 0.00 C ATOM 0 H LEU A 54 -6.158 -6.271 9.040 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.261 -7.682 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.061 -5.132 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.753 -5.057 8.881 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.417 -5.836 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.451 -3.548 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.162 -3.495 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.886 -3.187 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.023 -5.407 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.342 -5.125 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.636 -6.731 7.360 1.00 0.00 H new ATOM 506 N SER A 55 -3.471 -7.110 10.585 1.00 0.00 N ATOM 507 CA SER A 55 -2.539 -7.414 11.626 1.00 0.00 C ATOM 508 C SER A 55 -2.529 -8.926 11.976 1.00 0.00 C ATOM 509 O SER A 55 -1.453 -9.525 12.115 1.00 0.00 O ATOM 510 CB SER A 55 -2.819 -6.513 12.823 1.00 0.00 C ATOM 511 OG SER A 55 -2.729 -5.133 12.438 1.00 0.00 O ATOM 0 H SER A 55 -4.275 -6.560 10.887 1.00 0.00 H new ATOM 0 HA SER A 55 -1.526 -7.206 11.280 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.812 -6.723 13.221 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.106 -6.723 13.620 1.00 0.00 H new ATOM 0 HG SER A 55 -3.553 -4.867 11.978 1.00 0.00 H new ATOM 517 N GLN A 56 -3.706 -9.561 12.052 1.00 0.00 N ATOM 518 CA GLN A 56 -3.761 -11.006 12.343 1.00 0.00 C ATOM 519 C GLN A 56 -3.284 -11.810 11.125 1.00 0.00 C ATOM 520 O GLN A 56 -2.695 -12.874 11.266 1.00 0.00 O ATOM 521 CB GLN A 56 -5.166 -11.446 12.781 1.00 0.00 C ATOM 522 CG GLN A 56 -6.231 -11.290 11.718 1.00 0.00 C ATOM 523 CD GLN A 56 -7.605 -11.627 12.217 1.00 0.00 C ATOM 524 OE1 GLN A 56 -8.049 -12.770 12.138 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.287 -10.644 12.729 1.00 0.00 N ATOM 0 H GLN A 56 -4.613 -9.114 11.920 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.090 -11.207 13.178 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.127 -12.491 13.088 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.458 -10.867 13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.224 -10.263 11.352 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.989 -11.932 10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.880 -9.710 12.775 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.229 -10.808 13.084 1.00 0.00 H new ATOM 534 N LEU A 57 -3.536 -11.248 9.953 1.00 0.00 N ATOM 535 CA LEU A 57 -3.107 -11.756 8.648 1.00 0.00 C ATOM 536 C LEU A 57 -1.580 -11.972 8.697 1.00 0.00 C ATOM 537 O LEU A 57 -1.091 -13.099 8.560 1.00 0.00 O ATOM 538 CB LEU A 57 -3.574 -10.646 7.641 1.00 0.00 C ATOM 539 CG LEU A 57 -3.299 -10.657 6.129 1.00 0.00 C ATOM 540 CD1 LEU A 57 -1.843 -10.542 5.781 1.00 0.00 C ATOM 541 CD2 LEU A 57 -3.963 -11.817 5.453 1.00 0.00 C ATOM 0 H LEU A 57 -4.071 -10.383 9.876 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.527 -12.717 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.657 -10.581 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.160 -9.709 8.014 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.756 -9.750 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.726 -10.557 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.447 -9.606 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.298 -11.379 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.745 -11.790 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.587 -12.749 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.041 -11.758 5.605 1.00 0.00 H new ATOM 553 N LYS A 58 -0.873 -10.895 8.978 1.00 0.00 N ATOM 554 CA LYS A 58 0.587 -10.893 9.157 1.00 0.00 C ATOM 555 C LYS A 58 0.990 -11.902 10.232 1.00 0.00 C ATOM 556 O LYS A 58 1.874 -12.746 10.014 1.00 0.00 O ATOM 557 CB LYS A 58 1.053 -9.456 9.567 1.00 0.00 C ATOM 558 CG LYS A 58 2.588 -9.189 9.599 1.00 0.00 C ATOM 559 CD LYS A 58 3.327 -9.827 10.787 1.00 0.00 C ATOM 560 CE LYS A 58 2.914 -9.223 12.129 1.00 0.00 C ATOM 561 NZ LYS A 58 3.241 -7.783 12.210 1.00 0.00 N ATOM 0 H LYS A 58 -1.294 -9.973 9.093 1.00 0.00 H new ATOM 0 HA LYS A 58 1.066 -11.178 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.600 -8.744 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.651 -9.240 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.027 -9.561 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.755 -8.112 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.130 -10.899 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.401 -9.702 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.843 -9.361 12.275 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.416 -9.755 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.136 -7.458 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.221 -7.632 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.595 -7.245 11.597 1.00 0.00 H new ATOM 575 N THR A 59 0.323 -11.808 11.373 1.00 0.00 N ATOM 576 CA THR A 59 0.636 -12.613 12.542 1.00 0.00 C ATOM 577 C THR A 59 0.586 -14.110 12.245 1.00 0.00 C ATOM 578 O THR A 59 1.594 -14.793 12.368 1.00 0.00 O ATOM 579 CB THR A 59 -0.310 -12.271 13.723 1.00 0.00 C ATOM 580 OG1 THR A 59 -0.197 -10.876 14.033 1.00 0.00 O ATOM 581 CG2 THR A 59 0.037 -13.083 14.968 1.00 0.00 C ATOM 0 H THR A 59 -0.457 -11.165 11.513 1.00 0.00 H new ATOM 0 HA THR A 59 1.659 -12.367 12.825 1.00 0.00 H new ATOM 0 HB THR A 59 -1.328 -12.516 13.422 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.650 -10.350 13.342 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.645 -12.819 15.776 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.057 -14.146 14.747 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.061 -12.865 15.271 1.00 0.00 H new ATOM 589 N LEU A 60 -0.552 -14.589 11.787 1.00 0.00 N ATOM 590 CA LEU A 60 -0.748 -16.009 11.580 1.00 0.00 C ATOM 591 C LEU A 60 0.153 -16.590 10.511 1.00 0.00 C ATOM 592 O LEU A 60 0.581 -17.729 10.634 1.00 0.00 O ATOM 593 CB LEU A 60 -2.224 -16.377 11.359 1.00 0.00 C ATOM 594 CG LEU A 60 -3.105 -16.507 12.631 1.00 0.00 C ATOM 595 CD1 LEU A 60 -3.128 -15.234 13.463 1.00 0.00 C ATOM 596 CD2 LEU A 60 -4.515 -16.922 12.259 1.00 0.00 C ATOM 0 H LEU A 60 -1.359 -14.012 11.550 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.444 -16.481 12.514 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.670 -15.623 10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.262 -17.323 10.820 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.653 -17.281 13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.759 -15.383 14.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.115 -14.990 13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.526 -14.415 12.864 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.119 -17.008 13.162 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.953 -16.172 11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.488 -17.884 11.747 1.00 0.00 H new ATOM 608 N ILE A 61 0.472 -15.810 9.496 1.00 0.00 N ATOM 609 CA ILE A 61 1.373 -16.280 8.446 1.00 0.00 C ATOM 610 C ILE A 61 2.790 -16.427 8.977 1.00 0.00 C ATOM 611 O ILE A 61 3.422 -17.483 8.842 1.00 0.00 O ATOM 612 CB ILE A 61 1.370 -15.334 7.221 1.00 0.00 C ATOM 613 CG1 ILE A 61 -0.018 -15.294 6.597 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.418 -15.749 6.180 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.511 -16.640 6.102 1.00 0.00 C ATOM 0 H ILE A 61 0.128 -14.858 9.371 1.00 0.00 H new ATOM 0 HA ILE A 61 1.007 -17.255 8.124 1.00 0.00 H new ATOM 0 HB ILE A 61 1.635 -14.335 7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.724 -14.908 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.010 -14.592 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.385 -15.061 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.410 -15.722 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.205 -16.760 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.506 -16.527 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.172 -17.021 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.554 -17.341 6.936 1.00 0.00 H new ATOM 627 N LEU A 62 3.269 -15.400 9.633 1.00 0.00 N ATOM 628 CA LEU A 62 4.631 -15.396 10.127 1.00 0.00 C ATOM 629 C LEU A 62 4.762 -16.465 11.238 1.00 0.00 C ATOM 630 O LEU A 62 5.790 -17.081 11.388 1.00 0.00 O ATOM 631 CB LEU A 62 4.981 -13.982 10.652 1.00 0.00 C ATOM 632 CG LEU A 62 6.461 -13.517 10.574 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.399 -14.377 11.400 1.00 0.00 C ATOM 634 CD2 LEU A 62 6.928 -13.443 9.127 1.00 0.00 C ATOM 0 H LEU A 62 2.739 -14.553 9.840 1.00 0.00 H new ATOM 0 HA LEU A 62 5.332 -15.641 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.376 -13.263 10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.669 -13.927 11.695 1.00 0.00 H new ATOM 0 HG LEU A 62 6.495 -12.518 11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.417 -14.001 11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.097 -14.343 12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.357 -15.406 11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.967 -13.115 9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.844 -14.428 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.307 -12.733 8.580 1.00 0.00 H new ATOM 646 N ASP A 63 3.674 -16.707 11.931 1.00 0.00 N ATOM 647 CA ASP A 63 3.608 -17.661 13.048 1.00 0.00 C ATOM 648 C ASP A 63 3.514 -19.106 12.577 1.00 0.00 C ATOM 649 O ASP A 63 4.081 -19.989 13.169 1.00 0.00 O ATOM 650 CB ASP A 63 2.368 -17.385 13.820 1.00 0.00 C ATOM 651 CG ASP A 63 2.240 -18.168 15.100 1.00 0.00 C ATOM 652 OD1 ASP A 63 2.758 -17.712 16.150 1.00 0.00 O ATOM 653 OD2 ASP A 63 1.590 -19.242 15.082 1.00 0.00 O ATOM 0 H ASP A 63 2.785 -16.245 11.742 1.00 0.00 H new ATOM 0 HA ASP A 63 4.518 -17.539 13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.331 -16.321 14.055 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.506 -17.602 13.189 1.00 0.00 H new ATOM 658 N ALA A 64 2.763 -19.338 11.531 1.00 0.00 N ATOM 659 CA ALA A 64 2.537 -20.688 11.046 1.00 0.00 C ATOM 660 C ALA A 64 3.740 -21.200 10.322 1.00 0.00 C ATOM 661 O ALA A 64 4.112 -22.369 10.451 1.00 0.00 O ATOM 662 CB ALA A 64 1.315 -20.749 10.147 1.00 0.00 C ATOM 0 H ALA A 64 2.293 -18.610 10.992 1.00 0.00 H new ATOM 0 HA ALA A 64 2.356 -21.325 11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.170 -21.772 9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.436 -20.428 10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.460 -20.091 9.290 1.00 0.00 H new ATOM 668 N LEU A 65 4.381 -20.327 9.596 1.00 0.00 N ATOM 669 CA LEU A 65 5.534 -20.749 8.822 1.00 0.00 C ATOM 670 C LEU A 65 6.794 -20.519 9.585 1.00 0.00 C ATOM 671 O LEU A 65 7.787 -21.244 9.386 1.00 0.00 O ATOM 672 CB LEU A 65 5.640 -20.070 7.437 1.00 0.00 C ATOM 673 CG LEU A 65 4.553 -20.392 6.405 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.251 -19.739 6.772 1.00 0.00 C ATOM 675 CD2 LEU A 65 4.982 -19.981 5.005 1.00 0.00 C ATOM 0 H LEU A 65 4.139 -19.339 9.518 1.00 0.00 H new ATOM 0 HA LEU A 65 5.390 -21.814 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.648 -18.991 7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.604 -20.337 7.004 1.00 0.00 H new ATOM 0 HG LEU A 65 4.406 -21.472 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.497 -19.984 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.925 -20.101 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.385 -18.658 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.190 -20.222 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.174 -18.908 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.890 -20.517 4.731 1.00 0.00 H new ATOM 687 N LYS A 66 6.757 -19.511 10.472 1.00 0.00 N ATOM 688 CA LYS A 66 7.915 -19.094 11.245 1.00 0.00 C ATOM 689 C LYS A 66 9.054 -18.844 10.318 1.00 0.00 C ATOM 690 O LYS A 66 10.099 -19.502 10.342 1.00 0.00 O ATOM 691 CB LYS A 66 8.175 -20.058 12.386 1.00 0.00 C ATOM 692 CG LYS A 66 7.097 -19.938 13.470 1.00 0.00 C ATOM 693 CD LYS A 66 6.883 -21.231 14.227 1.00 0.00 C ATOM 694 CE LYS A 66 6.137 -22.242 13.361 1.00 0.00 C ATOM 695 NZ LYS A 66 5.844 -23.487 14.099 1.00 0.00 N ATOM 0 H LYS A 66 5.916 -18.968 10.666 1.00 0.00 H new ATOM 0 HA LYS A 66 7.740 -18.144 11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.199 -21.079 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.155 -19.857 12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.379 -19.153 14.172 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.158 -19.631 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.845 -21.644 14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.317 -21.036 15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.205 -21.801 13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.733 -22.474 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.337 -24.148 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.735 -23.922 14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.254 -23.269 14.927 1.00 0.00 H new ATOM 709 N LYS A 67 8.739 -17.919 9.426 1.00 0.00 N ATOM 710 CA LYS A 67 9.560 -17.489 8.324 1.00 0.00 C ATOM 711 C LYS A 67 10.943 -17.129 8.785 1.00 0.00 C ATOM 712 O LYS A 67 11.899 -17.870 8.541 1.00 0.00 O ATOM 713 CB LYS A 67 8.888 -16.274 7.658 1.00 0.00 C ATOM 714 CG LYS A 67 7.501 -16.558 7.081 1.00 0.00 C ATOM 715 CD LYS A 67 7.566 -17.409 5.820 1.00 0.00 C ATOM 716 CE LYS A 67 8.096 -16.607 4.643 1.00 0.00 C ATOM 717 NZ LYS A 67 8.292 -17.425 3.418 1.00 0.00 N ATOM 0 H LYS A 67 7.848 -17.423 9.461 1.00 0.00 H new ATOM 0 HA LYS A 67 9.656 -18.306 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.806 -15.472 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.533 -15.910 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.895 -17.067 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.003 -15.615 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.208 -18.273 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.573 -17.792 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.402 -15.795 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.045 -16.149 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.654 -16.822 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.975 -18.184 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.384 -17.842 3.130 1.00 0.00 H new ATOM 731 N ASP A 68 11.032 -16.036 9.493 1.00 0.00 N ATOM 732 CA ASP A 68 12.285 -15.498 9.966 1.00 0.00 C ATOM 733 C ASP A 68 11.980 -14.256 10.685 1.00 0.00 C ATOM 734 O ASP A 68 11.028 -13.557 10.331 1.00 0.00 O ATOM 735 CB ASP A 68 13.189 -15.178 8.799 1.00 0.00 C ATOM 736 CG ASP A 68 14.498 -14.605 9.148 1.00 0.00 C ATOM 737 OD1 ASP A 68 15.342 -15.309 9.734 1.00 0.00 O ATOM 738 OD2 ASP A 68 14.715 -13.457 8.809 1.00 0.00 O ATOM 0 H ASP A 68 10.221 -15.481 9.764 1.00 0.00 H new ATOM 0 HA ASP A 68 12.788 -16.220 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.353 -16.092 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.671 -14.480 8.141 1.00 0.00 H new ATOM 743 N SER A 69 12.740 -13.969 11.671 1.00 0.00 N ATOM 744 CA SER A 69 12.500 -12.823 12.437 1.00 0.00 C ATOM 745 C SER A 69 13.188 -11.582 11.842 1.00 0.00 C ATOM 746 O SER A 69 12.778 -10.452 12.095 1.00 0.00 O ATOM 747 CB SER A 69 12.883 -13.073 13.880 1.00 0.00 C ATOM 748 OG SER A 69 12.152 -14.184 14.403 1.00 0.00 O ATOM 0 H SER A 69 13.543 -14.525 11.965 1.00 0.00 H new ATOM 0 HA SER A 69 11.432 -12.605 12.414 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.953 -13.268 13.951 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.681 -12.183 14.476 1.00 0.00 H new ATOM 0 HG SER A 69 12.411 -14.336 15.336 1.00 0.00 H new ATOM 754 N SER A 70 14.177 -11.800 11.029 1.00 0.00 N ATOM 755 CA SER A 70 14.909 -10.738 10.397 1.00 0.00 C ATOM 756 C SER A 70 14.120 -10.162 9.198 1.00 0.00 C ATOM 757 O SER A 70 14.118 -8.953 8.954 1.00 0.00 O ATOM 758 CB SER A 70 16.261 -11.286 9.974 1.00 0.00 C ATOM 759 OG SER A 70 17.003 -11.709 11.112 1.00 0.00 O ATOM 0 H SER A 70 14.505 -12.733 10.781 1.00 0.00 H new ATOM 0 HA SER A 70 15.056 -9.912 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.123 -12.123 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.818 -10.521 9.433 1.00 0.00 H new ATOM 0 HG SER A 70 17.871 -12.061 10.824 1.00 0.00 H new ATOM 765 N ARG A 71 13.444 -11.027 8.466 1.00 0.00 N ATOM 766 CA ARG A 71 12.606 -10.593 7.344 1.00 0.00 C ATOM 767 C ARG A 71 11.234 -10.124 7.853 1.00 0.00 C ATOM 768 O ARG A 71 10.392 -9.649 7.089 1.00 0.00 O ATOM 769 CB ARG A 71 12.518 -11.701 6.281 1.00 0.00 C ATOM 770 CG ARG A 71 11.726 -12.918 6.689 1.00 0.00 C ATOM 771 CD ARG A 71 10.326 -12.858 6.149 1.00 0.00 C ATOM 772 NE ARG A 71 10.323 -12.900 4.678 1.00 0.00 N ATOM 773 CZ ARG A 71 9.936 -11.904 3.868 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.715 -10.701 4.348 1.00 0.00 N ATOM 775 NH2 ARG A 71 9.854 -12.103 2.563 1.00 0.00 N ATOM 0 H ARG A 71 13.453 -12.035 8.621 1.00 0.00 H new ATOM 0 HA ARG A 71 13.063 -9.733 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.072 -11.283 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.529 -12.015 6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.222 -13.817 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.697 -12.989 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.746 -13.693 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.840 -11.944 6.491 1.00 0.00 H new ATOM 0 HE ARG A 71 10.643 -13.762 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.838 -10.519 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.421 -9.949 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.085 -13.016 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.559 -11.344 1.949 1.00 0.00 H new ATOM 789 N HIS A 72 11.025 -10.323 9.133 1.00 0.00 N ATOM 790 CA HIS A 72 9.885 -9.800 9.860 1.00 0.00 C ATOM 791 C HIS A 72 10.286 -8.404 10.415 1.00 0.00 C ATOM 792 O HIS A 72 11.461 -8.015 10.305 1.00 0.00 O ATOM 793 CB HIS A 72 9.516 -10.788 11.004 1.00 0.00 C ATOM 794 CG HIS A 72 8.353 -10.389 11.875 1.00 0.00 C ATOM 795 ND1 HIS A 72 8.451 -10.188 13.232 1.00 0.00 N ATOM 796 CD2 HIS A 72 7.058 -10.159 11.559 1.00 0.00 C ATOM 797 CE1 HIS A 72 7.251 -9.852 13.694 1.00 0.00 C ATOM 798 NE2 HIS A 72 6.361 -9.814 12.717 1.00 0.00 N ATOM 0 H HIS A 72 11.659 -10.868 9.717 1.00 0.00 H new ATOM 0 HA HIS A 72 9.010 -9.694 9.219 1.00 0.00 H new ATOM 0 HB2 HIS A 72 9.295 -11.759 10.561 1.00 0.00 H new ATOM 0 HB3 HIS A 72 10.392 -10.919 11.640 1.00 0.00 H new ATOM 0 HD1 HIS A 72 9.300 -10.281 13.789 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.632 -10.231 10.569 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.032 -9.638 14.730 1.00 0.00 H new ATOM 806 N SER A 73 9.317 -7.650 10.954 1.00 0.00 N ATOM 807 CA SER A 73 9.517 -6.302 11.543 1.00 0.00 C ATOM 808 C SER A 73 9.685 -5.240 10.479 1.00 0.00 C ATOM 809 O SER A 73 8.923 -4.280 10.395 1.00 0.00 O ATOM 810 CB SER A 73 10.626 -6.284 12.600 1.00 0.00 C ATOM 811 OG SER A 73 10.365 -7.251 13.614 1.00 0.00 O ATOM 0 H SER A 73 8.346 -7.961 10.997 1.00 0.00 H new ATOM 0 HA SER A 73 8.602 -6.048 12.079 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.588 -6.491 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.696 -5.292 13.045 1.00 0.00 H new ATOM 0 HG SER A 73 11.083 -7.228 14.280 1.00 0.00 H new ATOM 817 N LYS A 74 10.600 -5.474 9.633 1.00 0.00 N ATOM 818 CA LYS A 74 10.859 -4.637 8.477 1.00 0.00 C ATOM 819 C LYS A 74 10.163 -5.314 7.299 1.00 0.00 C ATOM 820 O LYS A 74 10.642 -5.356 6.167 1.00 0.00 O ATOM 821 CB LYS A 74 12.382 -4.464 8.265 1.00 0.00 C ATOM 822 CG LYS A 74 12.843 -3.508 7.117 1.00 0.00 C ATOM 823 CD LYS A 74 12.230 -2.096 7.188 1.00 0.00 C ATOM 824 CE LYS A 74 10.911 -2.024 6.423 1.00 0.00 C ATOM 825 NZ LYS A 74 10.235 -0.715 6.541 1.00 0.00 N ATOM 0 H LYS A 74 11.228 -6.275 9.703 1.00 0.00 H new ATOM 0 HA LYS A 74 10.470 -3.626 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.813 -4.102 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.810 -5.448 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.929 -3.422 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.583 -3.957 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.064 -1.821 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.932 -1.371 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.098 -2.234 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.244 -2.804 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.339 -0.738 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.042 -0.513 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.848 0.029 6.150 1.00 0.00 H new ATOM 839 N LEU A 75 9.015 -5.826 7.616 1.00 0.00 N ATOM 840 CA LEU A 75 8.158 -6.486 6.718 1.00 0.00 C ATOM 841 C LEU A 75 7.194 -5.454 6.225 1.00 0.00 C ATOM 842 O LEU A 75 6.386 -4.924 6.993 1.00 0.00 O ATOM 843 CB LEU A 75 7.464 -7.612 7.479 1.00 0.00 C ATOM 844 CG LEU A 75 6.648 -8.606 6.696 1.00 0.00 C ATOM 845 CD1 LEU A 75 7.388 -9.081 5.487 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.287 -9.781 7.580 1.00 0.00 C ATOM 0 H LEU A 75 8.642 -5.785 8.565 1.00 0.00 H new ATOM 0 HA LEU A 75 8.674 -6.930 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.229 -8.166 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.810 -7.157 8.222 1.00 0.00 H new ATOM 0 HG LEU A 75 5.737 -8.111 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.773 -9.798 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.614 -8.232 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.317 -9.560 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.697 -10.498 7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.198 -10.263 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.706 -9.430 8.433 1.00 0.00 H new ATOM 858 N GLU A 76 7.332 -5.121 4.983 1.00 0.00 N ATOM 859 CA GLU A 76 6.557 -4.085 4.376 1.00 0.00 C ATOM 860 C GLU A 76 5.153 -4.560 4.156 1.00 0.00 C ATOM 861 O GLU A 76 4.930 -5.746 3.947 1.00 0.00 O ATOM 862 CB GLU A 76 7.211 -3.644 3.068 1.00 0.00 C ATOM 863 CG GLU A 76 8.555 -2.959 3.270 1.00 0.00 C ATOM 864 CD GLU A 76 8.426 -1.558 3.830 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.046 -1.385 5.007 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.741 -0.594 3.102 1.00 0.00 O ATOM 0 H GLU A 76 7.996 -5.567 4.351 1.00 0.00 H new ATOM 0 HA GLU A 76 6.519 -3.221 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.347 -4.514 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.539 -2.964 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.165 -3.559 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.082 -2.916 2.317 1.00 0.00 H new ATOM 873 N LYS A 77 4.221 -3.636 4.207 1.00 0.00 N ATOM 874 CA LYS A 77 2.796 -3.911 4.064 1.00 0.00 C ATOM 875 C LYS A 77 2.483 -4.793 2.857 1.00 0.00 C ATOM 876 O LYS A 77 1.748 -5.767 2.962 1.00 0.00 O ATOM 877 CB LYS A 77 2.036 -2.588 4.014 1.00 0.00 C ATOM 878 CG LYS A 77 0.552 -2.725 3.716 1.00 0.00 C ATOM 879 CD LYS A 77 -0.246 -1.487 4.155 1.00 0.00 C ATOM 880 CE LYS A 77 -0.203 -1.276 5.679 1.00 0.00 C ATOM 881 NZ LYS A 77 -0.888 -0.036 6.099 1.00 0.00 N ATOM 0 H LYS A 77 4.430 -2.648 4.352 1.00 0.00 H new ATOM 0 HA LYS A 77 2.468 -4.483 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.156 -2.078 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.489 -1.952 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.411 -2.885 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.161 -3.606 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.154 -0.604 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.282 -1.593 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.667 -2.129 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.835 -1.243 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.831 0.059 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.430 0.783 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.886 -0.076 5.810 1.00 0.00 H new ATOM 895 N ALA A 78 3.093 -4.473 1.756 1.00 0.00 N ATOM 896 CA ALA A 78 2.916 -5.207 0.516 1.00 0.00 C ATOM 897 C ALA A 78 3.440 -6.643 0.622 1.00 0.00 C ATOM 898 O ALA A 78 2.886 -7.568 0.023 1.00 0.00 O ATOM 899 CB ALA A 78 3.652 -4.489 -0.582 1.00 0.00 C ATOM 0 H ALA A 78 3.738 -3.687 1.681 1.00 0.00 H new ATOM 0 HA ALA A 78 1.849 -5.258 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.526 -5.031 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.252 -3.481 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.712 -4.434 -0.334 1.00 0.00 H new ATOM 905 N ASP A 79 4.459 -6.819 1.438 1.00 0.00 N ATOM 906 CA ASP A 79 5.156 -8.099 1.542 1.00 0.00 C ATOM 907 C ASP A 79 4.338 -9.017 2.408 1.00 0.00 C ATOM 908 O ASP A 79 4.234 -10.200 2.168 1.00 0.00 O ATOM 909 CB ASP A 79 6.548 -7.869 2.142 1.00 0.00 C ATOM 910 CG ASP A 79 7.572 -8.949 1.773 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.462 -9.532 0.680 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.575 -9.145 2.517 1.00 0.00 O ATOM 0 H ASP A 79 4.830 -6.089 2.046 1.00 0.00 H new ATOM 0 HA ASP A 79 5.280 -8.555 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.921 -6.900 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.461 -7.821 3.227 1.00 0.00 H new ATOM 917 N ILE A 80 3.739 -8.418 3.399 1.00 0.00 N ATOM 918 CA ILE A 80 2.817 -9.055 4.324 1.00 0.00 C ATOM 919 C ILE A 80 1.598 -9.619 3.585 1.00 0.00 C ATOM 920 O ILE A 80 1.281 -10.824 3.691 1.00 0.00 O ATOM 921 CB ILE A 80 2.384 -8.000 5.361 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.619 -7.594 6.143 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.280 -8.516 6.264 1.00 0.00 C ATOM 924 CD1 ILE A 80 3.493 -6.387 7.006 1.00 0.00 C ATOM 0 H ILE A 80 3.880 -7.428 3.601 1.00 0.00 H new ATOM 0 HA ILE A 80 3.307 -9.893 4.819 1.00 0.00 H new ATOM 0 HB ILE A 80 1.962 -7.130 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.916 -8.433 6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.430 -7.424 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.004 -7.742 6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.411 -8.780 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.631 -9.398 6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.441 -6.201 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.234 -5.525 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.712 -6.550 7.748 1.00 0.00 H new ATOM 936 N LEU A 81 0.936 -8.755 2.828 1.00 0.00 N ATOM 937 CA LEU A 81 -0.228 -9.134 2.040 1.00 0.00 C ATOM 938 C LEU A 81 0.097 -10.292 1.118 1.00 0.00 C ATOM 939 O LEU A 81 -0.562 -11.348 1.157 1.00 0.00 O ATOM 940 CB LEU A 81 -0.730 -7.950 1.203 1.00 0.00 C ATOM 941 CG LEU A 81 -1.761 -6.984 1.818 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.305 -6.420 3.158 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.023 -5.854 0.838 1.00 0.00 C ATOM 0 H LEU A 81 1.191 -7.771 2.743 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.009 -9.439 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.140 -7.361 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.163 -8.354 0.288 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.676 -7.545 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.068 -5.746 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.149 -7.237 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.372 -5.873 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.752 -5.164 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.093 -5.322 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.413 -6.264 -0.094 1.00 0.00 H new ATOM 955 N GLU A 82 1.150 -10.135 0.339 1.00 0.00 N ATOM 956 CA GLU A 82 1.490 -11.119 -0.623 1.00 0.00 C ATOM 957 C GLU A 82 2.035 -12.379 0.006 1.00 0.00 C ATOM 958 O GLU A 82 1.910 -13.412 -0.569 1.00 0.00 O ATOM 959 CB GLU A 82 2.404 -10.571 -1.703 1.00 0.00 C ATOM 960 CG GLU A 82 3.866 -10.666 -1.477 1.00 0.00 C ATOM 961 CD GLU A 82 4.592 -10.167 -2.693 1.00 0.00 C ATOM 962 OE1 GLU A 82 4.768 -10.960 -3.652 1.00 0.00 O ATOM 963 OE2 GLU A 82 4.942 -8.972 -2.758 1.00 0.00 O ATOM 0 H GLU A 82 1.774 -9.329 0.367 1.00 0.00 H new ATOM 0 HA GLU A 82 0.560 -11.403 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.173 -11.090 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.155 -9.521 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.149 -10.078 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.147 -11.699 -1.270 1.00 0.00 H new ATOM 970 N MET A 83 2.580 -12.292 1.211 1.00 0.00 N ATOM 971 CA MET A 83 3.160 -13.458 1.881 1.00 0.00 C ATOM 972 C MET A 83 2.071 -14.457 2.158 1.00 0.00 C ATOM 973 O MET A 83 2.224 -15.659 1.935 1.00 0.00 O ATOM 974 CB MET A 83 3.832 -13.054 3.192 1.00 0.00 C ATOM 975 CG MET A 83 4.607 -14.174 3.857 1.00 0.00 C ATOM 976 SD MET A 83 5.878 -14.861 2.786 1.00 0.00 S ATOM 977 CE MET A 83 6.808 -13.382 2.397 1.00 0.00 C ATOM 0 H MET A 83 2.635 -11.427 1.749 1.00 0.00 H new ATOM 0 HA MET A 83 3.916 -13.898 1.231 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.509 -12.221 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.070 -12.693 3.883 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.069 -13.799 4.770 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.917 -14.965 4.150 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.778 -13.660 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.259 -12.789 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.954 -12.795 3.304 1.00 0.00 H new ATOM 987 N THR A 84 0.970 -13.935 2.608 1.00 0.00 N ATOM 988 CA THR A 84 -0.222 -14.686 2.868 1.00 0.00 C ATOM 989 C THR A 84 -0.708 -15.345 1.567 1.00 0.00 C ATOM 990 O THR A 84 -1.055 -16.526 1.536 1.00 0.00 O ATOM 991 CB THR A 84 -1.261 -13.705 3.367 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.600 -12.861 4.311 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.389 -14.417 4.073 1.00 0.00 C ATOM 0 H THR A 84 0.873 -12.940 2.811 1.00 0.00 H new ATOM 0 HA THR A 84 -0.042 -15.470 3.604 1.00 0.00 H new ATOM 0 HB THR A 84 -1.682 -13.150 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.128 -12.146 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.120 -13.686 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.869 -15.111 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.994 -14.968 4.926 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.685 -14.567 0.496 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.055 -15.037 -0.834 1.00 0.00 C ATOM 1003 C VAL A 85 -0.113 -16.178 -1.285 1.00 0.00 C ATOM 1004 O VAL A 85 -0.550 -17.185 -1.832 1.00 0.00 O ATOM 1005 CB VAL A 85 -0.980 -13.867 -1.837 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.298 -14.286 -3.258 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.882 -12.752 -1.402 1.00 0.00 C ATOM 0 H VAL A 85 -0.408 -13.586 0.523 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.075 -15.421 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 85 0.053 -13.518 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.229 -13.420 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.586 -15.046 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.308 -14.694 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.819 -11.933 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.909 -13.113 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.574 -12.398 -0.418 1.00 0.00 H new ATOM 1017 N LYS A 86 1.168 -16.016 -1.012 1.00 0.00 N ATOM 1018 CA LYS A 86 2.177 -17.015 -1.363 1.00 0.00 C ATOM 1019 C LYS A 86 1.948 -18.306 -0.576 1.00 0.00 C ATOM 1020 O LYS A 86 2.007 -19.405 -1.126 1.00 0.00 O ATOM 1021 CB LYS A 86 3.597 -16.509 -1.092 1.00 0.00 C ATOM 1022 CG LYS A 86 3.937 -15.162 -1.715 1.00 0.00 C ATOM 1023 CD LYS A 86 5.430 -14.936 -1.685 1.00 0.00 C ATOM 1024 CE LYS A 86 5.844 -13.655 -2.373 1.00 0.00 C ATOM 1025 NZ LYS A 86 5.415 -13.598 -3.785 1.00 0.00 N ATOM 0 H LYS A 86 1.544 -15.193 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 86 2.077 -17.209 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.741 -16.439 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.306 -17.251 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.577 -15.127 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.430 -14.364 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.768 -14.912 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.930 -15.778 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.421 -12.806 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.928 -13.556 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.252 -13.573 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.845 -14.439 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.845 -12.742 -3.940 1.00 0.00 H new ATOM 1039 N HIS A 87 1.649 -18.160 0.707 1.00 0.00 N ATOM 1040 CA HIS A 87 1.375 -19.302 1.579 1.00 0.00 C ATOM 1041 C HIS A 87 0.077 -20.001 1.157 1.00 0.00 C ATOM 1042 O HIS A 87 -0.075 -21.218 1.335 1.00 0.00 O ATOM 1043 CB HIS A 87 1.351 -18.865 3.060 1.00 0.00 C ATOM 1044 CG HIS A 87 1.059 -19.962 4.062 1.00 0.00 C ATOM 1045 ND1 HIS A 87 1.625 -21.222 4.046 1.00 0.00 N ATOM 1046 CD2 HIS A 87 0.239 -19.952 5.126 1.00 0.00 C ATOM 1047 CE1 HIS A 87 1.133 -21.910 5.080 1.00 0.00 C ATOM 1048 NE2 HIS A 87 0.287 -21.183 5.768 1.00 0.00 N ATOM 0 H HIS A 87 1.589 -17.255 1.174 1.00 0.00 H new ATOM 0 HA HIS A 87 2.181 -20.028 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.316 -18.422 3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.602 -18.082 3.177 1.00 0.00 H new ATOM 0 HD1 HIS A 87 2.300 -21.567 3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.367 -19.113 5.436 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.397 -22.930 5.317 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.825 -19.234 0.539 1.00 0.00 N ATOM 1057 CA LEU A 88 -2.055 -19.755 0.014 1.00 0.00 C ATOM 1058 C LEU A 88 -1.720 -20.731 -1.070 1.00 0.00 C ATOM 1059 O LEU A 88 -2.269 -21.822 -1.122 1.00 0.00 O ATOM 1060 CB LEU A 88 -2.907 -18.604 -0.549 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.017 -18.973 -1.542 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -5.059 -19.863 -0.916 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.642 -17.727 -2.137 1.00 0.00 C ATOM 0 H LEU A 88 -0.706 -18.231 0.396 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.626 -20.252 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.365 -18.081 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.238 -17.896 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.558 -19.542 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.826 -20.100 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.590 -20.785 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.516 -19.349 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.426 -18.013 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.071 -17.119 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.879 -17.152 -2.661 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.765 -20.346 -1.898 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.358 -21.159 -3.009 1.00 0.00 C ATOM 1077 C ARG A 89 0.267 -22.425 -2.490 1.00 0.00 C ATOM 1078 O ARG A 89 -0.057 -23.499 -2.955 1.00 0.00 O ATOM 1079 CB ARG A 89 0.630 -20.427 -3.931 1.00 0.00 C ATOM 1080 CG ARG A 89 0.248 -18.989 -4.282 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.224 -18.844 -4.647 1.00 0.00 C ATOM 1082 NE ARG A 89 -1.628 -19.731 -5.768 1.00 0.00 N ATOM 1083 CZ ARG A 89 -1.957 -19.313 -7.001 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -1.829 -18.038 -7.334 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -2.386 -20.182 -7.903 1.00 0.00 N ATOM 0 H ARG A 89 -0.258 -19.465 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.243 -21.389 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.610 -20.420 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.729 -20.996 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.474 -18.341 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.860 -18.648 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.835 -19.070 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.426 -17.808 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.658 -20.734 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.478 -17.365 -6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.081 -17.728 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.467 -21.170 -7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.636 -19.864 -8.839 1.00 0.00 H new ATOM 1099 N ASN A 90 1.114 -22.277 -1.468 1.00 0.00 N ATOM 1100 CA ASN A 90 1.809 -23.403 -0.840 1.00 0.00 C ATOM 1101 C ASN A 90 0.827 -24.446 -0.359 1.00 0.00 C ATOM 1102 O ASN A 90 0.895 -25.607 -0.766 1.00 0.00 O ATOM 1103 CB ASN A 90 2.695 -22.962 0.339 1.00 0.00 C ATOM 1104 CG ASN A 90 3.870 -22.071 -0.029 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.389 -22.119 -1.139 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.340 -21.298 0.926 1.00 0.00 N ATOM 0 H ASN A 90 1.337 -21.373 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 90 2.453 -23.831 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.073 -22.435 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.078 -23.853 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.159 -20.716 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.885 -21.281 1.839 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.121 -24.025 0.461 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.121 -24.928 0.993 1.00 0.00 C ATOM 1115 C LEU A 91 -1.996 -25.497 -0.110 1.00 0.00 C ATOM 1116 O LEU A 91 -2.334 -26.653 -0.088 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.964 -24.240 2.058 1.00 0.00 C ATOM 1118 CG LEU A 91 -1.273 -23.960 3.394 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -2.132 -23.053 4.240 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -1.027 -25.263 4.144 1.00 0.00 C ATOM 0 H LEU A 91 -0.217 -23.058 0.772 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.598 -25.761 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.321 -23.293 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.842 -24.856 2.250 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.318 -23.474 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.632 -22.859 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.293 -22.111 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.093 -23.532 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.535 -25.049 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.979 -25.759 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.391 -25.914 3.544 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.278 -24.703 -1.117 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.117 -25.137 -2.239 1.00 0.00 C ATOM 1134 C GLN A 92 -2.441 -26.229 -3.092 1.00 0.00 C ATOM 1135 O GLN A 92 -3.113 -27.027 -3.741 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.545 -23.929 -3.090 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.747 -23.175 -2.548 1.00 0.00 C ATOM 1138 CD GLN A 92 -6.038 -23.864 -2.905 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.142 -24.497 -3.948 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.020 -23.760 -2.076 1.00 0.00 N ATOM 0 H GLN A 92 -1.941 -23.743 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.014 -25.594 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.704 -23.240 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.772 -24.273 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.666 -23.090 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.752 -22.161 -2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.906 -23.226 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.911 -24.211 -2.282 1.00 0.00 H new ATOM 1149 N ARG A 93 -1.125 -26.293 -3.049 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.381 -27.293 -3.814 1.00 0.00 C ATOM 1151 C ARG A 93 0.280 -28.309 -2.902 1.00 0.00 C ATOM 1152 O ARG A 93 1.154 -29.073 -3.321 1.00 0.00 O ATOM 1153 CB ARG A 93 0.622 -26.622 -4.777 1.00 0.00 C ATOM 1154 CG ARG A 93 1.594 -25.653 -4.125 1.00 0.00 C ATOM 1155 CD ARG A 93 2.818 -26.310 -3.515 1.00 0.00 C ATOM 1156 NE ARG A 93 3.772 -25.309 -3.007 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.889 -25.588 -2.323 1.00 0.00 C ATOM 1158 NH1 ARG A 93 5.204 -26.852 -2.035 1.00 0.00 N ATOM 1159 NH2 ARG A 93 5.684 -24.598 -1.931 1.00 0.00 N ATOM 0 H ARG A 93 -0.542 -25.667 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.091 -27.845 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.194 -27.401 -5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.062 -26.089 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.919 -24.927 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.069 -25.098 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.512 -26.968 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.308 -26.934 -4.262 1.00 0.00 H new ATOM 0 HE ARG A 93 3.566 -24.327 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.593 -27.611 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.056 -27.059 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.442 -23.632 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.536 -24.804 -1.410 1.00 0.00 H new ATOM 1173 N ALA A 94 -0.168 -28.349 -1.650 1.00 0.00 N ATOM 1174 CA ALA A 94 0.347 -29.310 -0.667 1.00 0.00 C ATOM 1175 C ALA A 94 -0.229 -30.705 -0.930 1.00 0.00 C ATOM 1176 O ALA A 94 0.082 -31.676 -0.232 1.00 0.00 O ATOM 1177 CB ALA A 94 0.031 -28.854 0.755 1.00 0.00 C ATOM 0 H ALA A 94 -0.890 -27.726 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 94 1.431 -29.360 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.422 -29.582 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.493 -27.884 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.049 -28.770 0.879 1.00 0.00 H new ATOM 1485 N GLU B 43 7.698 5.200 -2.244 1.00 0.00 N ATOM 1486 CA GLU B 43 6.398 4.989 -1.646 1.00 0.00 C ATOM 1487 C GLU B 43 5.391 4.598 -2.701 1.00 0.00 C ATOM 1488 O GLU B 43 4.386 3.963 -2.397 1.00 0.00 O ATOM 1489 CB GLU B 43 5.893 6.205 -0.865 1.00 0.00 C ATOM 1490 CG GLU B 43 5.558 7.418 -1.712 1.00 0.00 C ATOM 1491 CD GLU B 43 4.807 8.445 -0.929 1.00 0.00 C ATOM 1492 OE1 GLU B 43 3.645 8.188 -0.570 1.00 0.00 O ATOM 1493 OE2 GLU B 43 5.351 9.503 -0.630 1.00 0.00 O ATOM 0 HA GLU B 43 6.515 4.177 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU B 43 5.004 5.915 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU B 43 6.651 6.489 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU B 43 6.477 7.856 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU B 43 4.964 7.109 -2.572 1.00 0.00 H new ATOM 1500 N LYS B 44 5.658 4.982 -3.941 1.00 0.00 N ATOM 1501 CA LYS B 44 4.800 4.613 -5.036 1.00 0.00 C ATOM 1502 C LYS B 44 4.964 3.156 -5.338 1.00 0.00 C ATOM 1503 O LYS B 44 3.977 2.454 -5.552 1.00 0.00 O ATOM 1504 CB LYS B 44 5.067 5.440 -6.276 1.00 0.00 C ATOM 1505 CG LYS B 44 4.481 6.841 -6.230 1.00 0.00 C ATOM 1506 CD LYS B 44 4.563 7.513 -7.588 1.00 0.00 C ATOM 1507 CE LYS B 44 6.000 7.721 -8.053 1.00 0.00 C ATOM 1508 NZ LYS B 44 6.064 8.289 -9.421 1.00 0.00 N ATOM 0 H LYS B 44 6.464 5.549 -4.205 1.00 0.00 H new ATOM 0 HA LYS B 44 3.772 4.812 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS B 44 6.144 5.514 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.661 4.917 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS B 44 3.441 6.793 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS B 44 5.017 7.438 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS B 44 4.032 6.907 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS B 44 4.056 8.477 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS B 44 6.513 8.387 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.530 6.769 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 7.058 8.415 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 5.598 7.642 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 5.581 9.210 -9.437 1.00 0.00 H new ATOM 1522 N ARG B 45 6.215 2.707 -5.311 1.00 0.00 N ATOM 1523 CA ARG B 45 6.564 1.311 -5.524 1.00 0.00 C ATOM 1524 C ARG B 45 5.880 0.442 -4.488 1.00 0.00 C ATOM 1525 O ARG B 45 5.239 -0.574 -4.829 1.00 0.00 O ATOM 1526 CB ARG B 45 8.067 1.120 -5.411 1.00 0.00 C ATOM 1527 CG ARG B 45 8.872 1.836 -6.473 1.00 0.00 C ATOM 1528 CD ARG B 45 10.349 1.711 -6.185 1.00 0.00 C ATOM 1529 NE ARG B 45 10.786 0.303 -6.186 1.00 0.00 N ATOM 1530 CZ ARG B 45 11.841 -0.203 -5.519 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.596 0.574 -4.749 1.00 0.00 N ATOM 1532 NH2 ARG B 45 12.128 -1.496 -5.618 1.00 0.00 N ATOM 0 H ARG B 45 7.020 3.309 -5.139 1.00 0.00 H new ATOM 0 HA ARG B 45 6.235 1.023 -6.523 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.392 1.468 -4.430 1.00 0.00 H new ATOM 0 HB3 ARG B 45 8.290 0.054 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.649 1.415 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.589 2.888 -6.506 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.914 2.268 -6.932 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.571 2.160 -5.217 1.00 0.00 H new ATOM 0 HE ARG B 45 10.237 -0.350 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.379 1.567 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.392 0.178 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.550 -2.104 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG B 45 12.927 -1.881 -5.114 1.00 0.00 H new ATOM 1546 N ARG B 46 6.005 0.852 -3.224 1.00 0.00 N ATOM 1547 CA ARG B 46 5.378 0.150 -2.125 1.00 0.00 C ATOM 1548 C ARG B 46 3.866 0.130 -2.311 1.00 0.00 C ATOM 1549 O ARG B 46 3.264 -0.935 -2.327 1.00 0.00 O ATOM 1550 CB ARG B 46 5.698 0.799 -0.779 1.00 0.00 C ATOM 1551 CG ARG B 46 5.026 0.072 0.381 1.00 0.00 C ATOM 1552 CD ARG B 46 5.052 0.870 1.659 1.00 0.00 C ATOM 1553 NE ARG B 46 6.381 0.988 2.249 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.798 2.033 2.966 1.00 0.00 C ATOM 1555 NH1 ARG B 46 6.082 3.153 3.012 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.938 1.952 3.619 1.00 0.00 N ATOM 0 H ARG B 46 6.541 1.674 -2.945 1.00 0.00 H new ATOM 0 HA ARG B 46 5.774 -0.866 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.777 0.804 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.373 1.839 -0.792 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.992 -0.149 0.116 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.525 -0.884 0.544 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.662 1.868 1.462 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.383 0.403 2.382 1.00 0.00 H new ATOM 0 HE ARG B 46 7.036 0.220 2.103 1.00 0.00 H new ATOM 0 HH11 ARG B 46 5.205 3.219 2.496 1.00 0.00 H new ATOM 0 HH12 ARG B 46 6.410 3.946 3.563 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.492 1.097 3.573 1.00 0.00 H new ATOM 0 HH22 ARG B 46 8.267 2.744 4.171 1.00 0.00 H new ATOM 1570 N ARG B 47 3.276 1.324 -2.472 1.00 0.00 N ATOM 1571 CA ARG B 47 1.829 1.499 -2.637 1.00 0.00 C ATOM 1572 C ARG B 47 1.310 0.604 -3.738 1.00 0.00 C ATOM 1573 O ARG B 47 0.330 -0.109 -3.559 1.00 0.00 O ATOM 1574 CB ARG B 47 1.518 2.953 -2.969 1.00 0.00 C ATOM 1575 CG ARG B 47 0.052 3.328 -2.886 1.00 0.00 C ATOM 1576 CD ARG B 47 -0.131 4.793 -3.216 1.00 0.00 C ATOM 1577 NE ARG B 47 -1.453 5.285 -2.855 1.00 0.00 N ATOM 1578 CZ ARG B 47 -1.680 6.344 -2.057 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -0.654 6.984 -1.475 1.00 0.00 N ATOM 1580 NH2 ARG B 47 -2.924 6.756 -1.842 1.00 0.00 N ATOM 0 H ARG B 47 3.796 2.201 -2.491 1.00 0.00 H new ATOM 0 HA ARG B 47 1.338 1.227 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG B 47 2.081 3.594 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG B 47 1.875 3.165 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -0.527 2.717 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -0.327 3.123 -1.885 1.00 0.00 H new ATOM 0 HD2 ARG B 47 0.626 5.377 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG B 47 0.031 4.945 -4.283 1.00 0.00 H new ATOM 0 HE ARG B 47 -2.263 4.793 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG B 47 0.302 6.668 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -0.830 7.787 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -3.705 6.270 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -3.098 7.559 -1.237 1.00 0.00 H new ATOM 1594 N ALA B 48 1.992 0.626 -4.856 1.00 0.00 N ATOM 1595 CA ALA B 48 1.650 -0.191 -5.984 1.00 0.00 C ATOM 1596 C ALA B 48 1.627 -1.659 -5.602 1.00 0.00 C ATOM 1597 O ALA B 48 0.608 -2.301 -5.769 1.00 0.00 O ATOM 1598 CB ALA B 48 2.594 0.053 -7.147 1.00 0.00 C ATOM 0 H ALA B 48 2.808 1.219 -5.006 1.00 0.00 H new ATOM 0 HA ALA B 48 0.648 0.090 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.309 -0.581 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.539 1.099 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA B 48 3.614 -0.184 -6.844 1.00 0.00 H new ATOM 1604 N ARG B 49 2.712 -2.154 -4.998 1.00 0.00 N ATOM 1605 CA ARG B 49 2.810 -3.574 -4.629 1.00 0.00 C ATOM 1606 C ARG B 49 1.748 -3.945 -3.563 1.00 0.00 C ATOM 1607 O ARG B 49 1.277 -5.073 -3.539 1.00 0.00 O ATOM 1608 CB ARG B 49 4.242 -3.938 -4.155 1.00 0.00 C ATOM 1609 CG ARG B 49 4.520 -5.455 -3.966 1.00 0.00 C ATOM 1610 CD ARG B 49 4.507 -6.223 -5.296 1.00 0.00 C ATOM 1611 NE ARG B 49 4.825 -7.669 -5.135 1.00 0.00 N ATOM 1612 CZ ARG B 49 5.169 -8.511 -6.145 1.00 0.00 C ATOM 1613 NH1 ARG B 49 5.292 -8.062 -7.383 1.00 0.00 N ATOM 1614 NH2 ARG B 49 5.385 -9.793 -5.902 1.00 0.00 N ATOM 0 H ARG B 49 3.532 -1.598 -4.754 1.00 0.00 H new ATOM 0 HA ARG B 49 2.604 -4.165 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.956 -3.543 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.432 -3.431 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG B 49 5.488 -5.587 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.770 -5.878 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG B 49 3.525 -6.122 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.228 -5.771 -5.977 1.00 0.00 H new ATOM 0 HE ARG B 49 4.781 -8.058 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.128 -7.076 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG B 49 5.551 -8.702 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.294 -10.155 -4.953 1.00 0.00 H new ATOM 0 HH22 ARG B 49 5.643 -10.420 -6.664 1.00 0.00 H new ATOM 1628 N ILE B 50 1.381 -2.984 -2.686 1.00 0.00 N ATOM 1629 CA ILE B 50 0.297 -3.188 -1.698 1.00 0.00 C ATOM 1630 C ILE B 50 -1.020 -3.457 -2.432 1.00 0.00 C ATOM 1631 O ILE B 50 -1.714 -4.429 -2.159 1.00 0.00 O ATOM 1632 CB ILE B 50 0.119 -1.941 -0.778 1.00 0.00 C ATOM 1633 CG1 ILE B 50 1.405 -1.668 0.002 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.052 -2.143 0.194 1.00 0.00 C ATOM 1635 CD1 ILE B 50 1.400 -0.366 0.761 1.00 0.00 C ATOM 0 H ILE B 50 1.817 -2.063 -2.642 1.00 0.00 H new ATOM 0 HA ILE B 50 0.568 -4.040 -1.075 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.101 -1.081 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.572 -2.485 0.704 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.245 -1.668 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.157 -1.261 0.825 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.971 -2.297 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.860 -3.015 0.819 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.347 -0.248 1.287 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.267 0.461 0.064 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.582 -0.368 1.482 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.333 -2.612 -3.397 1.00 0.00 N ATOM 1648 CA ASN B 51 -2.559 -2.790 -4.181 1.00 0.00 C ATOM 1649 C ASN B 51 -2.474 -4.042 -5.001 1.00 0.00 C ATOM 1650 O ASN B 51 -3.450 -4.769 -5.116 1.00 0.00 O ATOM 1651 CB ASN B 51 -2.861 -1.589 -5.082 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.217 -0.328 -4.322 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -4.382 -0.076 -4.000 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.235 0.483 -4.045 1.00 0.00 N ATOM 0 H ASN B 51 -0.769 -1.804 -3.661 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.382 -2.873 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -1.992 -1.390 -5.710 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -3.685 -1.845 -5.749 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -2.418 1.355 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -1.283 0.246 -4.325 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.300 -4.306 -5.542 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.056 -5.519 -6.326 1.00 0.00 C ATOM 1663 C GLU B 52 -1.335 -6.766 -5.505 1.00 0.00 C ATOM 1664 O GLU B 52 -1.991 -7.691 -5.980 1.00 0.00 O ATOM 1665 CB GLU B 52 0.388 -5.601 -6.839 1.00 0.00 C ATOM 1666 CG GLU B 52 0.804 -4.517 -7.811 1.00 0.00 C ATOM 1667 CD GLU B 52 -0.033 -4.480 -9.056 1.00 0.00 C ATOM 1668 OE1 GLU B 52 0.105 -5.380 -9.911 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -0.824 -3.537 -9.217 1.00 0.00 O ATOM 0 H GLU B 52 -0.488 -3.695 -5.456 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.734 -5.466 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU B 52 1.060 -5.572 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU B 52 0.528 -6.568 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU B 52 0.744 -3.550 -7.313 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.847 -4.668 -8.088 1.00 0.00 H new ATOM 1676 N SER B 53 -0.874 -6.780 -4.267 1.00 0.00 N ATOM 1677 CA SER B 53 -0.998 -7.933 -3.448 1.00 0.00 C ATOM 1678 C SER B 53 -2.411 -8.092 -2.928 1.00 0.00 C ATOM 1679 O SER B 53 -2.953 -9.169 -2.989 1.00 0.00 O ATOM 1680 CB SER B 53 0.046 -7.907 -2.342 1.00 0.00 C ATOM 1681 OG SER B 53 0.088 -6.643 -1.720 1.00 0.00 O ATOM 0 H SER B 53 -0.409 -5.990 -3.820 1.00 0.00 H new ATOM 0 HA SER B 53 -0.803 -8.819 -4.052 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.183 -8.674 -1.602 1.00 0.00 H new ATOM 0 HB3 SER B 53 1.026 -8.146 -2.755 1.00 0.00 H new ATOM 0 HG SER B 53 0.760 -6.083 -2.162 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.017 -6.994 -2.486 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.389 -6.988 -1.973 1.00 0.00 C ATOM 1689 C LEU B 54 -5.351 -7.464 -3.075 1.00 0.00 C ATOM 1690 O LEU B 54 -6.266 -8.269 -2.836 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.743 -5.551 -1.550 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.803 -5.364 -0.445 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.891 -3.900 -0.054 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.181 -5.870 -0.855 1.00 0.00 C ATOM 0 H LEU B 54 -2.570 -6.077 -2.472 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.477 -7.658 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.826 -5.064 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.086 -5.016 -2.436 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.481 -5.963 0.407 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.642 -3.776 0.727 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.923 -3.564 0.317 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.172 -3.307 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.885 -5.712 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.521 -5.326 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.124 -6.934 -1.084 1.00 0.00 H new ATOM 1706 N SER B 55 -5.122 -6.980 -4.271 1.00 0.00 N ATOM 1707 CA SER B 55 -5.945 -7.307 -5.395 1.00 0.00 C ATOM 1708 C SER B 55 -5.840 -8.794 -5.765 1.00 0.00 C ATOM 1709 O SER B 55 -6.860 -9.466 -5.913 1.00 0.00 O ATOM 1710 CB SER B 55 -5.590 -6.404 -6.560 1.00 0.00 C ATOM 1711 OG SER B 55 -5.848 -5.038 -6.230 1.00 0.00 O ATOM 0 H SER B 55 -4.353 -6.345 -4.487 1.00 0.00 H new ATOM 0 HA SER B 55 -6.988 -7.136 -5.129 1.00 0.00 H new ATOM 0 HB2 SER B 55 -4.538 -6.530 -6.818 1.00 0.00 H new ATOM 0 HB3 SER B 55 -6.170 -6.688 -7.438 1.00 0.00 H new ATOM 0 HG SER B 55 -5.110 -4.687 -5.689 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.626 -9.318 -5.864 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.453 -10.731 -6.208 1.00 0.00 C ATOM 1719 C GLN B 56 -4.901 -11.622 -5.050 1.00 0.00 C ATOM 1720 O GLN B 56 -5.392 -12.716 -5.262 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.013 -11.042 -6.643 1.00 0.00 C ATOM 1722 CG GLN B 56 -1.964 -10.817 -5.571 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.557 -10.924 -6.102 1.00 0.00 C ATOM 1724 OE1 GLN B 56 0.049 -11.987 -6.105 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.034 -9.826 -6.571 1.00 0.00 N ATOM 0 H GLN B 56 -3.759 -8.802 -5.715 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.089 -10.948 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -2.963 -12.081 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -2.768 -10.425 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.107 -9.831 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.103 -11.547 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.569 -8.958 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.910 -9.835 -6.957 1.00 0.00 H new ATOM 1734 N LEU B 57 -4.766 -11.101 -3.846 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.184 -11.761 -2.623 1.00 0.00 C ATOM 1736 C LEU B 57 -6.656 -12.136 -2.691 1.00 0.00 C ATOM 1737 O LEU B 57 -6.998 -13.322 -2.633 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.846 -10.838 -1.430 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.332 -11.203 -0.035 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.239 -10.886 0.977 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.565 -10.380 0.304 1.00 0.00 C ATOM 0 H LEU B 57 -4.352 -10.183 -3.686 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.646 -12.700 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.761 -10.749 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.238 -9.848 -1.663 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.575 -12.265 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.583 -11.146 1.978 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.345 -11.463 0.740 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.005 -9.822 0.939 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.913 -10.641 1.303 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.315 -9.320 0.273 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.352 -10.588 -0.421 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.520 -11.147 -2.889 1.00 0.00 N ATOM 1754 CA LYS B 58 -8.948 -11.422 -2.996 1.00 0.00 C ATOM 1755 C LYS B 58 -9.236 -12.298 -4.210 1.00 0.00 C ATOM 1756 O LYS B 58 -10.080 -13.195 -4.143 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.801 -10.140 -3.060 1.00 0.00 C ATOM 1758 CG LYS B 58 -9.680 -9.333 -4.337 1.00 0.00 C ATOM 1759 CD LYS B 58 -10.682 -8.203 -4.364 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.696 -7.532 -5.717 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.725 -6.479 -5.796 1.00 0.00 N ATOM 0 H LYS B 58 -7.263 -10.164 -2.977 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.230 -11.952 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -10.847 -10.414 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.527 -9.501 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -8.671 -8.930 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -9.837 -9.983 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -11.676 -8.586 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -10.435 -7.473 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -9.716 -7.098 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -10.879 -8.278 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -11.703 -6.042 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.663 -6.897 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -11.536 -5.754 -5.075 1.00 0.00 H new ATOM 1775 N THR B 59 -8.480 -12.063 -5.290 1.00 0.00 N ATOM 1776 CA THR B 59 -8.654 -12.783 -6.528 1.00 0.00 C ATOM 1777 C THR B 59 -8.461 -14.281 -6.311 1.00 0.00 C ATOM 1778 O THR B 59 -9.383 -15.059 -6.544 1.00 0.00 O ATOM 1779 CB THR B 59 -7.686 -12.265 -7.630 1.00 0.00 C ATOM 1780 OG1 THR B 59 -7.922 -10.860 -7.862 1.00 0.00 O ATOM 1781 CG2 THR B 59 -7.892 -13.015 -8.942 1.00 0.00 C ATOM 0 H THR B 59 -7.735 -11.366 -5.316 1.00 0.00 H new ATOM 0 HA THR B 59 -9.674 -12.607 -6.870 1.00 0.00 H new ATOM 0 HB THR B 59 -6.666 -12.430 -7.284 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.687 -10.352 -7.058 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.202 -12.631 -9.693 1.00 0.00 H new ATOM 0 HG22 THR B 59 -7.705 -14.078 -8.787 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.917 -12.873 -9.285 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.306 -14.666 -5.798 1.00 0.00 N ATOM 1790 CA LEU B 60 -6.997 -16.062 -5.599 1.00 0.00 C ATOM 1791 C LEU B 60 -7.806 -16.692 -4.491 1.00 0.00 C ATOM 1792 O LEU B 60 -8.197 -17.832 -4.618 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.488 -16.346 -5.435 1.00 0.00 C ATOM 1794 CG LEU B 60 -4.611 -16.311 -6.711 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.159 -17.238 -7.782 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -4.427 -14.909 -7.256 1.00 0.00 C ATOM 0 H LEU B 60 -6.566 -14.024 -5.512 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.298 -16.546 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.084 -15.620 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.379 -17.330 -4.979 1.00 0.00 H new ATOM 0 HG LEU B 60 -3.625 -16.669 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.522 -17.191 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.179 -18.260 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.170 -16.929 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -3.804 -14.945 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.399 -14.486 -7.508 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -3.945 -14.286 -6.503 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.085 -15.961 -3.422 1.00 0.00 N ATOM 1809 CA ILE B 61 -8.912 -16.506 -2.339 1.00 0.00 C ATOM 1810 C ILE B 61 -10.319 -16.819 -2.844 1.00 0.00 C ATOM 1811 O ILE B 61 -10.840 -17.937 -2.666 1.00 0.00 O ATOM 1812 CB ILE B 61 -8.996 -15.537 -1.123 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -7.636 -15.424 -0.439 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.063 -15.985 -0.111 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.170 -16.702 0.242 1.00 0.00 C ATOM 0 H ILE B 61 -7.761 -15.005 -3.275 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.432 -17.425 -2.004 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.288 -14.558 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -6.893 -15.129 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -7.680 -14.626 0.303 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.091 -15.283 0.723 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.038 -16.010 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -9.817 -16.980 0.260 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.196 -16.535 0.702 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -7.890 -16.989 1.009 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.090 -17.499 -0.497 1.00 0.00 H new ATOM 1827 N LEU B 62 -10.915 -15.863 -3.514 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.262 -16.015 -3.992 1.00 0.00 C ATOM 1829 C LEU B 62 -12.287 -17.101 -5.077 1.00 0.00 C ATOM 1830 O LEU B 62 -13.189 -17.897 -5.114 1.00 0.00 O ATOM 1831 CB LEU B 62 -12.790 -14.656 -4.516 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.323 -14.400 -4.506 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.086 -15.344 -5.405 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -14.879 -14.436 -3.085 1.00 0.00 C ATOM 0 H LEU B 62 -10.483 -14.967 -3.740 1.00 0.00 H new ATOM 0 HA LEU B 62 -12.921 -16.328 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.319 -13.869 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.441 -14.539 -5.542 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.467 -13.399 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.150 -15.114 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -14.739 -15.229 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -14.920 -16.371 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -15.953 -14.254 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -14.687 -15.414 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.394 -13.666 -2.485 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.223 -17.174 -5.862 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.114 -18.119 -6.999 1.00 0.00 C ATOM 1848 C ASP B 63 -10.802 -19.523 -6.534 1.00 0.00 C ATOM 1849 O ASP B 63 -11.076 -20.474 -7.211 1.00 0.00 O ATOM 1850 CB ASP B 63 -9.995 -17.680 -7.893 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.026 -18.305 -9.270 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -10.845 -17.886 -10.109 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -9.194 -19.184 -9.560 1.00 0.00 O ATOM 0 H ASP B 63 -10.400 -16.584 -5.741 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.072 -18.121 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.031 -16.596 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.046 -17.924 -7.416 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.186 -19.630 -5.395 1.00 0.00 N ATOM 1859 CA ALA B 64 -9.826 -20.912 -4.843 1.00 0.00 C ATOM 1860 C ALA B 64 -11.044 -21.607 -4.307 1.00 0.00 C ATOM 1861 O ALA B 64 -11.180 -22.821 -4.422 1.00 0.00 O ATOM 1862 CB ALA B 64 -8.787 -20.743 -3.752 1.00 0.00 C ATOM 0 H ALA B 64 -9.916 -18.833 -4.818 1.00 0.00 H new ATOM 0 HA ALA B 64 -9.397 -21.526 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -8.525 -21.719 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -7.896 -20.272 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.192 -20.115 -2.958 1.00 0.00 H new ATOM 1868 N LEU B 65 -11.943 -20.841 -3.734 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.148 -21.460 -3.194 1.00 0.00 C ATOM 1870 C LEU B 65 -14.276 -21.380 -4.182 1.00 0.00 C ATOM 1871 O LEU B 65 -15.110 -22.277 -4.248 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.610 -20.884 -1.830 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.679 -21.073 -0.635 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -11.570 -20.068 -0.657 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -13.447 -21.014 0.674 1.00 0.00 C ATOM 0 H LEU B 65 -11.877 -19.829 -3.628 1.00 0.00 H new ATOM 0 HA LEU B 65 -12.875 -22.499 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -13.782 -19.815 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.571 -21.335 -1.582 1.00 0.00 H new ATOM 0 HG LEU B 65 -12.234 -22.065 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -10.921 -20.224 0.205 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -10.991 -20.185 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -11.989 -19.063 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -12.758 -21.152 1.507 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -13.937 -20.045 0.765 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -14.199 -21.803 0.691 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.278 -20.310 -4.965 1.00 0.00 N ATOM 1888 CA LYS B 66 -15.341 -20.015 -5.907 1.00 0.00 C ATOM 1889 C LYS B 66 -16.651 -19.967 -5.191 1.00 0.00 C ATOM 1890 O LYS B 66 -17.553 -20.783 -5.399 1.00 0.00 O ATOM 1891 CB LYS B 66 -15.295 -20.942 -7.114 1.00 0.00 C ATOM 1892 CG LYS B 66 -14.143 -20.579 -8.035 1.00 0.00 C ATOM 1893 CD LYS B 66 -13.598 -21.760 -8.812 1.00 0.00 C ATOM 1894 CE LYS B 66 -12.860 -22.722 -7.889 1.00 0.00 C ATOM 1895 NZ LYS B 66 -12.080 -23.719 -8.645 1.00 0.00 N ATOM 0 H LYS B 66 -13.531 -19.616 -4.961 1.00 0.00 H new ATOM 0 HA LYS B 66 -15.196 -19.023 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -15.187 -21.974 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -16.236 -20.880 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -14.476 -19.814 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -13.339 -20.141 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -14.415 -22.282 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -12.923 -21.408 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -12.194 -22.159 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -13.578 -23.233 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -11.593 -24.355 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -12.719 -24.274 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -11.377 -23.233 -9.238 1.00 0.00 H new ATOM 1909 N LYS B 67 -16.664 -19.061 -4.225 1.00 0.00 N ATOM 1910 CA LYS B 67 -17.778 -18.849 -3.369 1.00 0.00 C ATOM 1911 C LYS B 67 -18.976 -18.366 -4.144 1.00 0.00 C ATOM 1912 O LYS B 67 -19.947 -19.107 -4.334 1.00 0.00 O ATOM 1913 CB LYS B 67 -17.439 -17.818 -2.299 1.00 0.00 C ATOM 1914 CG LYS B 67 -16.275 -18.164 -1.397 1.00 0.00 C ATOM 1915 CD LYS B 67 -16.180 -17.161 -0.272 1.00 0.00 C ATOM 1916 CE LYS B 67 -15.065 -17.498 0.677 1.00 0.00 C ATOM 1917 NZ LYS B 67 -13.727 -17.276 0.087 1.00 0.00 N ATOM 0 H LYS B 67 -15.873 -18.449 -4.025 1.00 0.00 H new ATOM 0 HA LYS B 67 -18.016 -19.804 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.224 -16.869 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -18.321 -17.663 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -16.404 -19.167 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -15.348 -18.169 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.019 -16.165 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.125 -17.132 0.271 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.165 -16.893 1.578 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.155 -18.541 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -13.002 -17.694 0.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -13.683 -17.723 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -13.554 -16.255 -0.007 1.00 0.00 H new ATOM 1931 N ASP B 68 -18.873 -17.143 -4.621 1.00 0.00 N ATOM 1932 CA ASP B 68 -19.946 -16.454 -5.282 1.00 0.00 C ATOM 1933 C ASP B 68 -19.464 -15.121 -5.673 1.00 0.00 C ATOM 1934 O ASP B 68 -18.647 -14.511 -4.959 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.110 -16.288 -4.343 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.183 -15.399 -4.834 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -22.754 -15.649 -5.907 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -22.476 -14.425 -4.146 1.00 0.00 O ATOM 0 H ASP B 68 -18.017 -16.593 -4.555 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.267 -17.026 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -21.537 -17.270 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -20.740 -15.898 -3.395 1.00 0.00 H new ATOM 1943 N SER B 69 -19.956 -14.641 -6.754 1.00 0.00 N ATOM 1944 CA SER B 69 -19.520 -13.402 -7.235 1.00 0.00 C ATOM 1945 C SER B 69 -20.309 -12.235 -6.618 1.00 0.00 C ATOM 1946 O SER B 69 -19.805 -11.111 -6.514 1.00 0.00 O ATOM 1947 CB SER B 69 -19.536 -13.393 -8.747 1.00 0.00 C ATOM 1948 OG SER B 69 -20.808 -13.836 -9.222 1.00 0.00 O ATOM 0 H SER B 69 -20.668 -15.100 -7.322 1.00 0.00 H new ATOM 0 HA SER B 69 -18.487 -13.252 -6.920 1.00 0.00 H new ATOM 0 HB2 SER B 69 -19.330 -12.388 -9.116 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.749 -14.041 -9.132 1.00 0.00 H new ATOM 0 HG SER B 69 -20.813 -13.826 -10.202 1.00 0.00 H new ATOM 1954 N SER B 70 -21.510 -12.513 -6.166 1.00 0.00 N ATOM 1955 CA SER B 70 -22.353 -11.515 -5.552 1.00 0.00 C ATOM 1956 C SER B 70 -21.760 -11.100 -4.186 1.00 0.00 C ATOM 1957 O SER B 70 -21.663 -9.915 -3.867 1.00 0.00 O ATOM 1958 CB SER B 70 -23.759 -12.091 -5.413 1.00 0.00 C ATOM 1959 OG SER B 70 -24.251 -12.514 -6.684 1.00 0.00 O ATOM 0 H SER B 70 -21.931 -13.441 -6.214 1.00 0.00 H new ATOM 0 HA SER B 70 -22.405 -10.617 -6.168 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.747 -12.934 -4.722 1.00 0.00 H new ATOM 0 HB3 SER B 70 -24.426 -11.340 -4.989 1.00 0.00 H new ATOM 0 HG SER B 70 -25.153 -12.883 -6.579 1.00 0.00 H new ATOM 1965 N ARG B 71 -21.309 -12.078 -3.418 1.00 0.00 N ATOM 1966 CA ARG B 71 -20.657 -11.825 -2.122 1.00 0.00 C ATOM 1967 C ARG B 71 -19.228 -11.327 -2.315 1.00 0.00 C ATOM 1968 O ARG B 71 -18.567 -10.944 -1.360 1.00 0.00 O ATOM 1969 CB ARG B 71 -20.741 -13.074 -1.214 1.00 0.00 C ATOM 1970 CG ARG B 71 -20.025 -14.299 -1.751 1.00 0.00 C ATOM 1971 CD ARG B 71 -18.578 -14.371 -1.311 1.00 0.00 C ATOM 1972 NE ARG B 71 -18.470 -14.658 0.122 1.00 0.00 N ATOM 1973 CZ ARG B 71 -17.741 -13.980 1.015 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -17.087 -12.882 0.671 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -17.677 -14.399 2.255 1.00 0.00 N ATOM 0 H ARG B 71 -21.378 -13.066 -3.663 1.00 0.00 H new ATOM 0 HA ARG B 71 -21.194 -11.027 -1.609 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -20.324 -12.825 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -21.791 -13.323 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -20.547 -15.195 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -20.069 -14.292 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -18.061 -15.145 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.081 -13.427 -1.533 1.00 0.00 H new ATOM 0 HE ARG B 71 -19.003 -15.453 0.473 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -17.134 -12.540 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -16.536 -12.378 1.366 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -18.182 -15.239 2.536 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -17.122 -13.885 2.939 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.744 -11.389 -3.548 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.465 -10.784 -3.897 1.00 0.00 C ATOM 1991 C HIS B 72 -17.693 -9.309 -4.273 1.00 0.00 C ATOM 1992 O HIS B 72 -16.798 -8.474 -4.160 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.788 -11.551 -5.058 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.452 -10.986 -5.491 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.269 -10.911 -4.825 1.00 0.00 N flip ATOM 1996 CD2 HIS B 72 -15.220 -10.427 -6.727 1.00 0.00 C flip ATOM 1997 CE1 HIS B 72 -13.319 -10.311 -5.648 1.00 0.00 C flip ATOM 1998 NE2 HIS B 72 -13.945 -10.042 -6.778 1.00 0.00 N flip ATOM 0 H HIS B 72 -19.217 -11.852 -4.324 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.796 -10.838 -3.038 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.649 -12.589 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.461 -11.555 -5.915 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -15.946 -10.319 -7.519 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.285 -10.108 -5.411 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -13.510 -9.597 -7.586 1.00 0.00 H new ATOM 2006 N SER B 73 -18.917 -8.998 -4.668 1.00 0.00 N ATOM 2007 CA SER B 73 -19.286 -7.654 -5.083 1.00 0.00 C ATOM 2008 C SER B 73 -19.780 -6.828 -3.891 1.00 0.00 C ATOM 2009 O SER B 73 -20.243 -5.696 -4.037 1.00 0.00 O ATOM 2010 CB SER B 73 -20.345 -7.723 -6.179 1.00 0.00 C ATOM 2011 OG SER B 73 -19.876 -8.496 -7.286 1.00 0.00 O ATOM 0 H SER B 73 -19.683 -9.670 -4.710 1.00 0.00 H new ATOM 0 HA SER B 73 -18.403 -7.156 -5.482 1.00 0.00 H new ATOM 0 HB2 SER B 73 -21.259 -8.165 -5.782 1.00 0.00 H new ATOM 0 HB3 SER B 73 -20.597 -6.716 -6.513 1.00 0.00 H new ATOM 0 HG SER B 73 -19.779 -9.432 -7.013 1.00 0.00 H new ATOM 2017 N LYS B 74 -19.664 -7.400 -2.732 1.00 0.00 N ATOM 2018 CA LYS B 74 -20.005 -6.748 -1.501 1.00 0.00 C ATOM 2019 C LYS B 74 -18.975 -7.156 -0.484 1.00 0.00 C ATOM 2020 O LYS B 74 -19.189 -8.063 0.328 1.00 0.00 O ATOM 2021 CB LYS B 74 -21.443 -7.093 -1.033 1.00 0.00 C ATOM 2022 CG LYS B 74 -21.909 -6.500 0.334 1.00 0.00 C ATOM 2023 CD LYS B 74 -22.212 -4.981 0.342 1.00 0.00 C ATOM 2024 CE LYS B 74 -20.968 -4.100 0.290 1.00 0.00 C ATOM 2025 NZ LYS B 74 -21.301 -2.676 0.520 1.00 0.00 N ATOM 0 H LYS B 74 -19.322 -8.353 -2.611 1.00 0.00 H new ATOM 0 HA LYS B 74 -20.000 -5.667 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -22.138 -6.757 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -21.529 -8.178 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -22.806 -7.032 0.652 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -21.138 -6.701 1.078 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -22.849 -4.743 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -22.779 -4.739 1.241 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -20.253 -4.434 1.042 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -20.484 -4.209 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.433 -2.105 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -21.964 -2.352 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.740 -2.569 1.457 1.00 0.00 H new ATOM 2039 N LEU B 75 -17.820 -6.588 -0.635 1.00 0.00 N ATOM 2040 CA LEU B 75 -16.723 -6.845 0.202 1.00 0.00 C ATOM 2041 C LEU B 75 -16.037 -5.597 0.597 1.00 0.00 C ATOM 2042 O LEU B 75 -15.623 -4.788 -0.253 1.00 0.00 O ATOM 2043 CB LEU B 75 -15.755 -7.779 -0.476 1.00 0.00 C ATOM 2044 CG LEU B 75 -16.125 -9.242 -0.439 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -15.139 -10.079 -1.225 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -16.205 -9.724 0.994 1.00 0.00 C ATOM 0 H LEU B 75 -17.623 -5.912 -1.373 1.00 0.00 H new ATOM 0 HA LEU B 75 -17.101 -7.319 1.108 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -15.654 -7.475 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -14.776 -7.658 -0.012 1.00 0.00 H new ATOM 0 HG LEU B 75 -17.103 -9.355 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -15.434 -11.127 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -15.130 -9.750 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -14.142 -9.963 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -16.473 -10.781 1.008 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -15.238 -9.588 1.478 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -16.962 -9.151 1.529 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.924 -5.427 1.871 1.00 0.00 N ATOM 2059 CA GLU B 76 -15.198 -4.338 2.404 1.00 0.00 C ATOM 2060 C GLU B 76 -13.759 -4.805 2.524 1.00 0.00 C ATOM 2061 O GLU B 76 -13.508 -6.016 2.570 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.748 -3.925 3.771 1.00 0.00 C ATOM 2063 CG GLU B 76 -17.261 -3.675 3.791 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.710 -2.836 4.970 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -17.064 -2.874 6.044 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -18.681 -2.047 4.813 1.00 0.00 O ATOM 0 H GLU B 76 -16.336 -6.045 2.570 1.00 0.00 H new ATOM 0 HA GLU B 76 -15.279 -3.463 1.760 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.510 -4.703 4.496 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -15.237 -3.019 4.097 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.553 -3.177 2.866 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.781 -4.633 3.815 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.832 -3.876 2.566 1.00 0.00 N ATOM 2074 CA LYS B 77 -11.398 -4.177 2.640 1.00 0.00 C ATOM 2075 C LYS B 77 -11.073 -5.164 3.760 1.00 0.00 C ATOM 2076 O LYS B 77 -10.383 -6.157 3.552 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.609 -2.874 2.795 1.00 0.00 C ATOM 2078 CG LYS B 77 -9.128 -3.064 3.074 1.00 0.00 C ATOM 2079 CD LYS B 77 -8.318 -1.776 2.853 1.00 0.00 C ATOM 2080 CE LYS B 77 -8.327 -1.316 1.390 1.00 0.00 C ATOM 2081 NZ LYS B 77 -7.607 -0.032 1.205 1.00 0.00 N ATOM 0 H LYS B 77 -13.041 -2.878 2.550 1.00 0.00 H new ATOM 0 HA LYS B 77 -11.102 -4.663 1.710 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.722 -2.285 1.885 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -11.047 -2.293 3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.995 -3.401 4.102 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.738 -3.850 2.428 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -8.724 -0.984 3.481 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -7.289 -1.940 3.172 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -7.867 -2.082 0.766 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -9.357 -1.206 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -7.638 0.242 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -8.061 0.707 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -6.617 -0.143 1.503 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.639 -4.909 4.905 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.462 -5.736 6.095 1.00 0.00 C ATOM 2097 C ALA B 78 -11.942 -7.169 5.868 1.00 0.00 C ATOM 2098 O ALA B 78 -11.353 -8.124 6.368 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.244 -5.126 7.219 1.00 0.00 C ATOM 0 H ALA B 78 -12.251 -4.107 5.055 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.399 -5.776 6.333 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.123 -5.732 8.117 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -11.879 -4.117 7.410 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.299 -5.085 6.948 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.960 -7.301 5.055 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.604 -8.591 4.812 1.00 0.00 C ATOM 2107 C ASP B 79 -12.766 -9.418 3.917 1.00 0.00 C ATOM 2108 O ASP B 79 -12.607 -10.608 4.118 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.995 -8.409 4.227 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.954 -7.861 5.239 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -16.121 -8.478 6.319 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.523 -6.780 5.016 1.00 0.00 O ATOM 0 H ASP B 79 -13.374 -6.525 4.538 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.711 -9.105 5.768 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.945 -7.736 3.371 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -15.363 -9.366 3.858 1.00 0.00 H new ATOM 2117 N ILE B 80 -12.210 -8.765 2.956 1.00 0.00 N ATOM 2118 CA ILE B 80 -11.302 -9.346 2.004 1.00 0.00 C ATOM 2119 C ILE B 80 -10.061 -9.894 2.725 1.00 0.00 C ATOM 2120 O ILE B 80 -9.665 -11.057 2.521 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.940 -8.257 0.982 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -12.221 -7.870 0.240 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.867 -8.734 0.033 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -12.164 -6.585 -0.535 1.00 0.00 C ATOM 0 H ILE B 80 -12.376 -7.771 2.798 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.761 -10.188 1.485 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.530 -7.384 1.489 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.478 -8.676 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -13.031 -7.799 0.965 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.632 -7.942 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.971 -8.993 0.597 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -10.222 -9.612 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -13.124 -6.410 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.944 -5.761 0.143 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -11.382 -6.651 -1.292 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.498 -9.076 3.592 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.352 -9.461 4.407 1.00 0.00 C ATOM 2138 C LEU B 81 -8.685 -10.685 5.262 1.00 0.00 C ATOM 2139 O LEU B 81 -7.973 -11.691 5.222 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.922 -8.293 5.311 1.00 0.00 C ATOM 2141 CG LEU B 81 -6.931 -7.246 4.750 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -7.323 -6.747 3.365 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.858 -6.075 5.712 1.00 0.00 C ATOM 0 H LEU B 81 -9.820 -8.122 3.755 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.529 -9.715 3.739 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.824 -7.763 5.618 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -7.479 -8.718 6.212 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.959 -7.729 4.650 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.592 -6.015 3.022 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.350 -7.586 2.670 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -8.308 -6.282 3.411 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.162 -5.330 5.326 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -7.847 -5.628 5.817 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.513 -6.425 6.685 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.796 -10.609 5.982 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.234 -11.669 6.861 1.00 0.00 C ATOM 2157 C GLU B 82 -10.536 -12.952 6.095 1.00 0.00 C ATOM 2158 O GLU B 82 -10.191 -14.020 6.541 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.462 -11.213 7.643 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.070 -12.237 8.531 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.375 -11.785 9.128 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.384 -10.837 9.934 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.425 -12.398 8.816 1.00 0.00 O ATOM 0 H GLU B 82 -10.419 -9.801 5.968 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.423 -11.890 7.554 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.186 -10.350 8.248 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -12.218 -10.876 6.934 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.232 -13.154 7.964 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.372 -12.478 9.333 1.00 0.00 H new ATOM 2170 N MET B 83 -11.119 -12.822 4.913 1.00 0.00 N ATOM 2171 CA MET B 83 -11.543 -13.968 4.102 1.00 0.00 C ATOM 2172 C MET B 83 -10.335 -14.812 3.748 1.00 0.00 C ATOM 2173 O MET B 83 -10.392 -16.050 3.735 1.00 0.00 O ATOM 2174 CB MET B 83 -12.264 -13.481 2.829 1.00 0.00 C ATOM 2175 CG MET B 83 -12.790 -14.591 1.930 1.00 0.00 C ATOM 2176 SD MET B 83 -13.627 -13.992 0.438 1.00 0.00 S ATOM 2177 CE MET B 83 -12.348 -12.955 -0.305 1.00 0.00 C ATOM 0 H MET B 83 -11.315 -11.918 4.482 1.00 0.00 H new ATOM 0 HA MET B 83 -12.242 -14.578 4.674 1.00 0.00 H new ATOM 0 HB2 MET B 83 -13.098 -12.844 3.122 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.576 -12.861 2.253 1.00 0.00 H new ATOM 0 HG2 MET B 83 -11.959 -15.232 1.636 1.00 0.00 H new ATOM 0 HG3 MET B 83 -13.483 -15.209 2.500 1.00 0.00 H new ATOM 0 HE1 MET B 83 -12.463 -12.956 -1.389 1.00 0.00 H new ATOM 0 HE2 MET B 83 -12.443 -11.936 0.069 1.00 0.00 H new ATOM 0 HE3 MET B 83 -11.365 -13.347 -0.044 1.00 0.00 H new ATOM 2187 N THR B 84 -9.261 -14.125 3.502 1.00 0.00 N ATOM 2188 CA THR B 84 -7.987 -14.693 3.211 1.00 0.00 C ATOM 2189 C THR B 84 -7.418 -15.428 4.453 1.00 0.00 C ATOM 2190 O THR B 84 -7.035 -16.598 4.366 1.00 0.00 O ATOM 2191 CB THR B 84 -7.075 -13.545 2.766 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.762 -12.840 1.726 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.750 -14.043 2.221 1.00 0.00 C ATOM 0 H THR B 84 -9.253 -13.105 3.500 1.00 0.00 H new ATOM 0 HA THR B 84 -8.062 -15.439 2.420 1.00 0.00 H new ATOM 0 HB THR B 84 -6.857 -12.912 3.626 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.314 -12.133 2.120 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.138 -13.193 1.919 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.229 -14.609 2.993 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.930 -14.686 1.359 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.421 -14.750 5.605 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.929 -15.331 6.869 1.00 0.00 C ATOM 2203 C VAL B 85 -7.751 -16.587 7.250 1.00 0.00 C ATOM 2204 O VAL B 85 -7.190 -17.645 7.589 1.00 0.00 O ATOM 2205 CB VAL B 85 -7.024 -14.299 8.036 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.413 -14.830 9.321 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.397 -12.982 7.665 1.00 0.00 C ATOM 0 H VAL B 85 -7.760 -13.792 5.693 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.886 -15.606 6.714 1.00 0.00 H new ATOM 0 HB VAL B 85 -8.087 -14.135 8.215 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.502 -14.077 10.104 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.937 -15.736 9.626 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.360 -15.059 9.156 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.483 -12.290 8.502 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.344 -13.135 7.426 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.909 -12.567 6.797 1.00 0.00 H new ATOM 2217 N LYS B 86 -9.069 -16.475 7.162 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.966 -17.563 7.518 1.00 0.00 C ATOM 2219 C LYS B 86 -9.776 -18.759 6.589 1.00 0.00 C ATOM 2220 O LYS B 86 -9.782 -19.904 7.031 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.423 -17.097 7.514 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.657 -15.843 8.354 1.00 0.00 C ATOM 2223 CD LYS B 86 -13.113 -15.566 8.603 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.859 -15.193 7.337 1.00 0.00 C ATOM 2225 NZ LYS B 86 -15.247 -14.766 7.637 1.00 0.00 N ATOM 0 H LYS B 86 -9.544 -15.631 6.843 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.716 -17.881 8.530 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.732 -16.901 6.487 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -12.056 -17.901 7.890 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.145 -15.952 9.310 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.211 -14.986 7.849 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.576 -16.447 9.047 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.207 -14.757 9.328 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -13.331 -14.389 6.825 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.877 -16.046 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.788 -14.697 6.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.697 -15.463 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -15.231 -13.838 8.106 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.542 -18.490 5.305 1.00 0.00 N ATOM 2240 CA HIS B 87 -9.309 -19.561 4.331 1.00 0.00 C ATOM 2241 C HIS B 87 -7.998 -20.261 4.623 1.00 0.00 C ATOM 2242 O HIS B 87 -7.848 -21.463 4.383 1.00 0.00 O ATOM 2243 CB HIS B 87 -9.295 -19.025 2.888 1.00 0.00 C ATOM 2244 CG HIS B 87 -9.022 -20.080 1.841 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -9.528 -21.334 1.704 1.00 0.00 N flip ATOM 2246 CD2 HIS B 87 -8.164 -19.912 0.784 1.00 0.00 C flip ATOM 2247 CE1 HIS B 87 -8.985 -21.925 0.574 1.00 0.00 C flip ATOM 2248 NE2 HIS B 87 -8.175 -21.029 0.058 1.00 0.00 N flip ATOM 0 H HIS B 87 -9.508 -17.548 4.915 1.00 0.00 H new ATOM 0 HA HIS B 87 -10.132 -20.270 4.423 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -10.257 -18.558 2.676 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.538 -18.245 2.809 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -7.580 -19.027 0.576 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -9.186 -22.917 0.196 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -7.625 -21.170 -0.789 1.00 0.00 H new ATOM 2256 N LEU B 88 -7.078 -19.523 5.184 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.784 -20.027 5.472 1.00 0.00 C ATOM 2258 C LEU B 88 -5.942 -21.081 6.565 1.00 0.00 C ATOM 2259 O LEU B 88 -5.308 -22.119 6.539 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.888 -18.844 5.909 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.373 -18.991 5.778 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.824 -20.060 6.701 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -3.002 -19.263 4.320 1.00 0.00 C ATOM 0 H LEU B 88 -7.218 -18.549 5.452 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.310 -20.493 4.608 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -5.188 -17.970 5.331 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.111 -18.627 6.954 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.912 -18.053 6.086 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.744 -20.130 6.574 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -3.052 -19.800 7.735 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -3.281 -21.020 6.459 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.920 -19.367 4.233 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.483 -20.183 3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.338 -18.433 3.698 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.875 -20.831 7.468 1.00 0.00 N ATOM 2276 CA ARG B 89 -7.158 -21.756 8.559 1.00 0.00 C ATOM 2277 C ARG B 89 -7.798 -23.032 8.000 1.00 0.00 C ATOM 2278 O ARG B 89 -7.524 -24.154 8.474 1.00 0.00 O ATOM 2279 CB ARG B 89 -8.088 -21.119 9.614 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.716 -19.685 10.024 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.222 -19.520 10.260 1.00 0.00 C ATOM 2282 NE ARG B 89 -5.710 -20.457 11.270 1.00 0.00 N ATOM 2283 CZ ARG B 89 -4.520 -21.066 11.230 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -3.645 -20.768 10.268 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -4.208 -21.956 12.158 1.00 0.00 N ATOM 0 H ARG B 89 -7.454 -19.991 7.469 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.216 -22.001 9.049 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -9.106 -21.118 9.226 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.087 -21.748 10.504 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.037 -18.992 9.246 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.257 -19.417 10.932 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -5.689 -19.674 9.322 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.017 -18.498 10.579 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.312 -20.660 12.068 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -3.883 -20.074 9.560 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.738 -21.235 10.241 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -4.874 -22.175 12.899 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.302 -22.423 12.132 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.611 -22.854 6.956 1.00 0.00 N ATOM 2300 CA ASN B 90 -9.282 -23.964 6.279 1.00 0.00 C ATOM 2301 C ASN B 90 -8.248 -24.881 5.693 1.00 0.00 C ATOM 2302 O ASN B 90 -8.288 -26.105 5.864 1.00 0.00 O ATOM 2303 CB ASN B 90 -10.204 -23.498 5.130 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.283 -22.499 5.515 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.707 -22.416 6.664 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.785 -21.781 4.534 1.00 0.00 N ATOM 0 H ASN B 90 -8.822 -21.939 6.558 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.896 -24.465 7.027 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.586 -23.054 4.350 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.685 -24.375 4.696 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.550 -21.131 4.717 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.410 -21.874 3.590 1.00 0.00 H new ATOM 2313 N LEU B 91 -7.295 -24.288 5.037 1.00 0.00 N ATOM 2314 CA LEU B 91 -6.233 -25.021 4.442 1.00 0.00 C ATOM 2315 C LEU B 91 -5.384 -25.674 5.525 1.00 0.00 C ATOM 2316 O LEU B 91 -5.036 -26.830 5.436 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.404 -24.106 3.561 1.00 0.00 C ATOM 2318 CG LEU B 91 -6.128 -23.478 2.367 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -5.231 -22.470 1.682 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.558 -24.547 1.370 1.00 0.00 C ATOM 0 H LEU B 91 -7.238 -23.278 4.903 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.642 -25.812 3.813 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -5.005 -23.303 4.181 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.552 -24.672 3.186 1.00 0.00 H new ATOM 0 HG LEU B 91 -7.019 -22.971 2.739 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.758 -22.031 0.835 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.961 -21.685 2.388 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.328 -22.967 1.329 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -7.070 -24.077 0.531 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.679 -25.080 1.007 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -7.232 -25.250 1.859 1.00 0.00 H new ATOM 2332 N GLN B 92 -5.161 -24.963 6.591 1.00 0.00 N ATOM 2333 CA GLN B 92 -4.324 -25.449 7.665 1.00 0.00 C ATOM 2334 C GLN B 92 -4.911 -26.597 8.477 1.00 0.00 C ATOM 2335 O GLN B 92 -4.167 -27.280 9.167 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.862 -24.335 8.573 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.806 -23.458 7.959 1.00 0.00 C ATOM 2338 CD GLN B 92 -1.609 -23.273 8.871 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -1.572 -22.356 9.692 1.00 0.00 O ATOM 2340 NE2 GLN B 92 -0.632 -24.127 8.739 1.00 0.00 N ATOM 0 H GLN B 92 -5.549 -24.033 6.747 1.00 0.00 H new ATOM 0 HA GLN B 92 -3.460 -25.870 7.151 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.720 -23.720 8.846 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.473 -24.767 9.495 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.477 -23.895 7.016 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -3.236 -22.484 7.726 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.698 -24.874 8.048 1.00 0.00 H new ATOM 0 HE22 GLN B 92 0.198 -24.048 9.327 1.00 0.00 H new ATOM 2349 N ARG B 93 -6.215 -26.854 8.416 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.691 -27.981 9.218 1.00 0.00 C ATOM 2351 C ARG B 93 -6.786 -29.220 8.361 1.00 0.00 C ATOM 2352 O ARG B 93 -6.737 -30.336 8.855 1.00 0.00 O ATOM 2353 CB ARG B 93 -8.028 -27.753 9.965 1.00 0.00 C ATOM 2354 CG ARG B 93 -9.284 -27.933 9.131 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.726 -26.683 8.460 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.915 -26.913 7.633 1.00 0.00 N ATOM 2357 CZ ARG B 93 -11.887 -26.022 7.427 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -11.928 -24.891 8.122 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -12.835 -26.279 6.558 1.00 0.00 N ATOM 0 H ARG B 93 -6.912 -26.348 7.870 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.945 -28.101 10.004 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -8.073 -28.440 10.810 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -8.027 -26.743 10.375 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -9.104 -28.699 8.376 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -10.088 -28.298 9.771 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -9.944 -25.923 9.210 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -8.918 -26.296 7.839 1.00 0.00 H new ATOM 0 HE ARG B 93 -11.006 -27.823 7.181 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -11.212 -24.696 8.822 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -12.676 -24.217 7.956 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -12.828 -27.158 6.041 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -13.579 -25.600 6.399 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.914 -29.020 7.074 1.00 0.00 N ATOM 2374 CA ALA B 94 -7.051 -30.130 6.172 1.00 0.00 C ATOM 2375 C ALA B 94 -5.705 -30.504 5.589 1.00 0.00 C ATOM 2376 O ALA B 94 -5.532 -31.593 5.046 1.00 0.00 O ATOM 2377 CB ALA B 94 -8.058 -29.808 5.077 1.00 0.00 C ATOM 0 H ALA B 94 -6.926 -28.102 6.630 1.00 0.00 H new ATOM 0 HA ALA B 94 -7.427 -30.989 6.728 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -8.148 -30.660 4.404 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -9.028 -29.596 5.526 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -7.719 -28.937 4.516 1.00 0.00 H new ATOM 2383 N GLN B 95 -4.764 -29.600 5.687 1.00 0.00 N ATOM 2384 CA GLN B 95 -3.434 -29.815 5.186 1.00 0.00 C ATOM 2385 C GLN B 95 -2.438 -29.496 6.287 1.00 0.00 C ATOM 2386 O GLN B 95 -1.943 -28.372 6.363 1.00 0.00 O ATOM 2387 CB GLN B 95 -3.201 -28.966 3.920 1.00 0.00 C ATOM 2388 CG GLN B 95 -4.193 -29.307 2.815 1.00 0.00 C ATOM 2389 CD GLN B 95 -5.017 -28.127 2.319 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -6.096 -27.833 2.991 1.00 0.00 O flip ATOM 2391 NE2 GLN B 95 -4.660 -27.459 1.366 1.00 0.00 N flip ATOM 0 H GLN B 95 -4.902 -28.687 6.121 1.00 0.00 H new ATOM 0 HA GLN B 95 -3.299 -30.857 4.897 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -3.287 -27.909 4.171 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -2.185 -29.126 3.558 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -3.647 -29.732 1.973 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -4.871 -30.080 3.178 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.812 -27.709 0.857 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -5.208 -26.649 1.077 1.00 0.00 H new