USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot -118:sc= 1.27 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -165:sc= 2.32 (180deg=1.02) USER MOD Set 2.2: A 28 GLN : amide:sc= 2.63 K(o=4.9,f=-5.1!) USER MOD Single : A 19 HIS : no HD1:sc= 0.141 K(o=0.14,f=-4.1!) USER MOD Single : A 27 MET CE :methyl -151:sc= -0.0431 (180deg=-1.22) USER MOD Single : A 32 ASN : amide:sc= 1.12 K(o=1.1,f=-1.9!) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0395) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.49 F(o=-2!,f=-0.49) USER MOD Single : A 44 HIS : no HD1:sc= 1.18 K(o=1.2,f=-5.5!) USER MOD Single : A 46 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 47 THR OG1 : rot 178:sc= -1 USER MOD Single : A 52 GLN : amide:sc= 0.406 X(o=0.41,f=-0.031) USER MOD Single : A 53 SER OG : rot 79:sc= 1.19 USER MOD Single : A 60 THR OG1 : rot 93:sc= 1.18 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 79 GLN : amide:sc= -1.99 K(o=-2,f=-5.1!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 84 GLN : amide:sc= -0.0041 K(o=-0.0041,f=-1.1) USER MOD Single : A 88 GLN : amide:sc= 0.0898 X(o=0.09,f=-0.039) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.03) USER MOD Single : A 99 CYS SG : rot 71:sc= -1.31! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -144:sc= -0.115 (180deg=-0.447) USER MOD Single : A 107 ASN : amide:sc= 1.82 K(o=1.8,f=-4.4!) USER MOD Single : A 108 MET CE :methyl 152:sc= -0.0267 (180deg=-0.551) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 123 THR OG1 : rot -8:sc= 0.0158 USER MOD Single : A 130 ASN : amide:sc= -1.63! C(o=-1.6!,f=-3.6!) USER MOD Single : A 132 LYS NZ :NH3+ -125:sc= 0.319 (180deg=-0.0404) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 1.157 9.655 4.136 1.00 0.00 N ATOM 309 CA VAL A 18 0.699 9.289 2.798 1.00 0.00 C ATOM 310 C VAL A 18 1.236 7.917 2.388 1.00 0.00 C ATOM 311 O VAL A 18 0.586 7.173 1.664 1.00 0.00 O ATOM 312 CB VAL A 18 1.109 10.350 1.753 1.00 0.00 C ATOM 313 CG1 VAL A 18 0.607 9.979 0.362 1.00 0.00 C ATOM 314 CG2 VAL A 18 0.578 11.712 2.161 1.00 0.00 C ATOM 0 HA VAL A 18 -0.389 9.242 2.832 1.00 0.00 H new ATOM 0 HB VAL A 18 2.198 10.388 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.912 10.745 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.031 9.019 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.481 9.907 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.872 12.454 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.509 11.674 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.990 11.987 3.132 1.00 0.00 H new ATOM 324 N HIS A 19 2.411 7.571 2.880 1.00 0.00 N ATOM 325 CA HIS A 19 2.989 6.259 2.610 1.00 0.00 C ATOM 326 C HIS A 19 2.599 5.272 3.705 1.00 0.00 C ATOM 327 O HIS A 19 3.061 4.138 3.724 1.00 0.00 O ATOM 328 CB HIS A 19 4.514 6.333 2.462 1.00 0.00 C ATOM 329 CG HIS A 19 4.981 6.626 1.060 1.00 0.00 C ATOM 330 ND1 HIS A 19 6.244 7.095 0.768 1.00 0.00 N ATOM 331 CD2 HIS A 19 4.354 6.489 -0.138 1.00 0.00 C ATOM 332 CE1 HIS A 19 6.371 7.237 -0.538 1.00 0.00 C ATOM 333 NE2 HIS A 19 5.242 6.876 -1.112 1.00 0.00 N ATOM 0 H HIS A 19 2.986 8.175 3.467 1.00 0.00 H new ATOM 0 HA HIS A 19 2.586 5.906 1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.896 7.105 3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.947 5.387 2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.344 6.140 -0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.254 7.590 -1.050 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.057 6.883 -2.115 1.00 0.00 H new ATOM 342 N GLU A 20 1.770 5.716 4.637 1.00 0.00 N ATOM 343 CA GLU A 20 1.294 4.839 5.696 1.00 0.00 C ATOM 344 C GLU A 20 -0.194 4.531 5.531 1.00 0.00 C ATOM 345 O GLU A 20 -0.570 3.418 5.159 1.00 0.00 O ATOM 346 CB GLU A 20 1.559 5.458 7.071 1.00 0.00 C ATOM 347 CG GLU A 20 3.036 5.681 7.361 1.00 0.00 C ATOM 348 CD GLU A 20 3.279 6.279 8.732 1.00 0.00 C ATOM 349 OE1 GLU A 20 3.040 7.492 8.906 1.00 0.00 O ATOM 350 OE2 GLU A 20 3.716 5.537 9.642 1.00 0.00 O ATOM 0 H GLU A 20 1.415 6.671 4.682 1.00 0.00 H new ATOM 0 HA GLU A 20 1.845 3.901 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.035 6.412 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.140 4.809 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.565 4.731 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.456 6.341 6.602 1.00 0.00 H new ATOM 357 N LEU A 21 -1.035 5.533 5.764 1.00 0.00 N ATOM 358 CA LEU A 21 -2.484 5.332 5.803 1.00 0.00 C ATOM 359 C LEU A 21 -3.086 5.204 4.405 1.00 0.00 C ATOM 360 O LEU A 21 -4.048 4.458 4.204 1.00 0.00 O ATOM 361 CB LEU A 21 -3.180 6.475 6.555 1.00 0.00 C ATOM 362 CG LEU A 21 -2.958 6.520 8.073 1.00 0.00 C ATOM 363 CD1 LEU A 21 -1.555 7.000 8.411 1.00 0.00 C ATOM 364 CD2 LEU A 21 -4.000 7.411 8.731 1.00 0.00 C ATOM 0 H LEU A 21 -0.740 6.495 5.929 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.651 4.395 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.842 7.420 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.252 6.407 6.367 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.066 5.507 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.429 7.021 9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.823 6.321 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.407 8.002 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.831 7.434 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.921 8.421 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.996 7.017 8.528 1.00 0.00 H new ATOM 376 N ALA A 22 -2.519 5.917 3.438 1.00 0.00 N ATOM 377 CA ALA A 22 -3.089 5.956 2.092 1.00 0.00 C ATOM 378 C ALA A 22 -3.068 4.586 1.412 1.00 0.00 C ATOM 379 O ALA A 22 -3.817 4.354 0.463 1.00 0.00 O ATOM 380 CB ALA A 22 -2.376 6.991 1.238 1.00 0.00 C ATOM 0 H ALA A 22 -1.672 6.472 3.557 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.135 6.245 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.815 7.004 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.482 7.975 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.318 6.737 1.166 1.00 0.00 H new ATOM 386 N ARG A 23 -2.230 3.672 1.899 1.00 0.00 N ATOM 387 CA ARG A 23 -2.188 2.320 1.343 1.00 0.00 C ATOM 388 C ARG A 23 -3.495 1.599 1.641 1.00 0.00 C ATOM 389 O ARG A 23 -4.045 0.904 0.788 1.00 0.00 O ATOM 390 CB ARG A 23 -1.022 1.505 1.908 1.00 0.00 C ATOM 391 CG ARG A 23 0.332 2.168 1.760 1.00 0.00 C ATOM 392 CD ARG A 23 1.462 1.174 1.985 1.00 0.00 C ATOM 393 NE ARG A 23 2.686 1.844 2.398 1.00 0.00 N ATOM 394 CZ ARG A 23 3.744 2.058 1.617 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.767 1.630 0.359 1.00 0.00 N ATOM 396 NH2 ARG A 23 4.786 2.711 2.103 1.00 0.00 N ATOM 0 H ARG A 23 -1.579 3.839 2.667 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.045 2.413 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.206 1.314 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.996 0.536 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.420 2.602 0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.418 2.987 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.167 0.452 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.644 0.614 1.068 1.00 0.00 H new ATOM 0 HE ARG A 23 2.738 2.176 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.966 1.128 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.586 1.803 -0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.774 3.045 3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.601 2.881 1.514 1.00 0.00 H new ATOM 410 N VAL A 24 -3.992 1.789 2.858 1.00 0.00 N ATOM 411 CA VAL A 24 -5.249 1.186 3.276 1.00 0.00 C ATOM 412 C VAL A 24 -6.405 1.817 2.510 1.00 0.00 C ATOM 413 O VAL A 24 -7.359 1.137 2.133 1.00 0.00 O ATOM 414 CB VAL A 24 -5.479 1.351 4.795 1.00 0.00 C ATOM 415 CG1 VAL A 24 -6.807 0.736 5.217 1.00 0.00 C ATOM 416 CG2 VAL A 24 -4.333 0.729 5.578 1.00 0.00 C ATOM 0 H VAL A 24 -3.540 2.358 3.574 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.199 0.120 3.056 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.514 2.418 5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.943 0.866 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.621 1.228 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.808 -0.327 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.512 0.855 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.267 -0.333 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.398 1.220 5.306 1.00 0.00 H new ATOM 426 N LYS A 25 -6.301 3.119 2.263 1.00 0.00 N ATOM 427 CA LYS A 25 -7.317 3.819 1.492 1.00 0.00 C ATOM 428 C LYS A 25 -7.362 3.280 0.067 1.00 0.00 C ATOM 429 O LYS A 25 -8.437 3.056 -0.479 1.00 0.00 O ATOM 430 CB LYS A 25 -7.060 5.328 1.468 1.00 0.00 C ATOM 431 CG LYS A 25 -8.237 6.126 0.924 1.00 0.00 C ATOM 432 CD LYS A 25 -9.414 6.103 1.890 1.00 0.00 C ATOM 433 CE LYS A 25 -10.675 6.694 1.273 1.00 0.00 C ATOM 434 NZ LYS A 25 -11.336 5.748 0.334 1.00 0.00 N ATOM 0 H LYS A 25 -5.530 3.705 2.583 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.278 3.646 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.834 5.668 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.179 5.531 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.930 7.157 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.545 5.715 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.609 5.076 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.155 6.662 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.373 6.965 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.422 7.613 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.028 6.263 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.620 5.314 -0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.823 5.005 0.875 1.00 0.00 H new ATOM 448 N PHE A 26 -6.188 3.063 -0.528 1.00 0.00 N ATOM 449 CA PHE A 26 -6.108 2.501 -1.875 1.00 0.00 C ATOM 450 C PHE A 26 -6.775 1.129 -1.921 1.00 0.00 C ATOM 451 O PHE A 26 -7.557 0.846 -2.827 1.00 0.00 O ATOM 452 CB PHE A 26 -4.651 2.396 -2.349 1.00 0.00 C ATOM 453 CG PHE A 26 -4.511 1.728 -3.690 1.00 0.00 C ATOM 454 CD1 PHE A 26 -4.878 2.389 -4.853 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.034 0.431 -3.786 1.00 0.00 C ATOM 456 CE1 PHE A 26 -4.768 1.769 -6.084 1.00 0.00 C ATOM 457 CE2 PHE A 26 -3.927 -0.195 -5.012 1.00 0.00 C ATOM 458 CZ PHE A 26 -4.293 0.475 -6.164 1.00 0.00 C ATOM 0 H PHE A 26 -5.285 3.267 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.637 3.175 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.220 3.396 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.075 1.839 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.254 3.400 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.742 -0.097 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.053 2.296 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.557 -1.208 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.208 -0.012 -7.124 1.00 0.00 H new ATOM 468 N MET A 27 -6.463 0.288 -0.937 1.00 0.00 N ATOM 469 CA MET A 27 -7.107 -1.017 -0.806 1.00 0.00 C ATOM 470 C MET A 27 -8.616 -0.841 -0.760 1.00 0.00 C ATOM 471 O MET A 27 -9.348 -1.446 -1.539 1.00 0.00 O ATOM 472 CB MET A 27 -6.635 -1.724 0.466 1.00 0.00 C ATOM 473 CG MET A 27 -5.159 -2.077 0.462 1.00 0.00 C ATOM 474 SD MET A 27 -4.609 -2.754 2.039 1.00 0.00 S ATOM 475 CE MET A 27 -2.883 -3.079 1.692 1.00 0.00 C ATOM 0 H MET A 27 -5.767 0.487 -0.218 1.00 0.00 H new ATOM 0 HA MET A 27 -6.835 -1.627 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.843 -1.085 1.324 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.216 -2.636 0.600 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.964 -2.801 -0.329 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.576 -1.186 0.229 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.541 -3.915 2.301 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.764 -3.326 0.637 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.292 -2.194 1.926 1.00 0.00 H new ATOM 485 N GLN A 28 -9.058 0.024 0.144 1.00 0.00 N ATOM 486 CA GLN A 28 -10.473 0.319 0.320 1.00 0.00 C ATOM 487 C GLN A 28 -11.109 0.778 -0.989 1.00 0.00 C ATOM 488 O GLN A 28 -12.184 0.310 -1.362 1.00 0.00 O ATOM 489 CB GLN A 28 -10.639 1.403 1.379 1.00 0.00 C ATOM 490 CG GLN A 28 -12.080 1.687 1.757 1.00 0.00 C ATOM 491 CD GLN A 28 -12.195 2.873 2.685 1.00 0.00 C ATOM 492 OE1 GLN A 28 -12.359 4.009 2.242 1.00 0.00 O ATOM 493 NE2 GLN A 28 -12.074 2.622 3.975 1.00 0.00 N ATOM 0 H GLN A 28 -8.445 0.540 0.775 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.976 -0.593 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.092 1.108 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.182 2.323 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.662 1.874 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.510 0.808 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.939 1.664 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.115 3.386 4.649 1.00 0.00 H new ATOM 502 N ASP A 29 -10.442 1.700 -1.673 1.00 0.00 N ATOM 503 CA ASP A 29 -10.920 2.209 -2.951 1.00 0.00 C ATOM 504 C ASP A 29 -11.086 1.082 -3.958 1.00 0.00 C ATOM 505 O ASP A 29 -12.146 0.934 -4.548 1.00 0.00 O ATOM 506 CB ASP A 29 -9.969 3.276 -3.506 1.00 0.00 C ATOM 507 CG ASP A 29 -10.307 4.675 -3.025 1.00 0.00 C ATOM 508 OD1 ASP A 29 -10.138 4.962 -1.823 1.00 0.00 O ATOM 509 OD2 ASP A 29 -10.757 5.499 -3.852 1.00 0.00 O ATOM 0 H ASP A 29 -9.563 2.112 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.894 2.667 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.948 3.033 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.002 3.254 -4.595 1.00 0.00 H new ATOM 514 N VAL A 30 -10.046 0.275 -4.130 1.00 0.00 N ATOM 515 CA VAL A 30 -10.075 -0.817 -5.103 1.00 0.00 C ATOM 516 C VAL A 30 -11.196 -1.814 -4.801 1.00 0.00 C ATOM 517 O VAL A 30 -11.925 -2.225 -5.705 1.00 0.00 O ATOM 518 CB VAL A 30 -8.725 -1.565 -5.156 1.00 0.00 C ATOM 519 CG1 VAL A 30 -8.796 -2.758 -6.095 1.00 0.00 C ATOM 520 CG2 VAL A 30 -7.616 -0.623 -5.590 1.00 0.00 C ATOM 0 H VAL A 30 -9.172 0.354 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.264 -0.360 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.505 -1.934 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.831 -3.265 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.564 -3.449 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.044 -2.416 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.671 -1.165 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.842 -0.227 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.538 0.200 -4.879 1.00 0.00 H new ATOM 530 N VAL A 31 -11.335 -2.183 -3.533 1.00 0.00 N ATOM 531 CA VAL A 31 -12.356 -3.145 -3.115 1.00 0.00 C ATOM 532 C VAL A 31 -13.763 -2.599 -3.363 1.00 0.00 C ATOM 533 O VAL A 31 -14.671 -3.331 -3.757 1.00 0.00 O ATOM 534 CB VAL A 31 -12.209 -3.504 -1.615 1.00 0.00 C ATOM 535 CG1 VAL A 31 -13.274 -4.503 -1.182 1.00 0.00 C ATOM 536 CG2 VAL A 31 -10.819 -4.052 -1.324 1.00 0.00 C ATOM 0 H VAL A 31 -10.753 -1.831 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.209 -4.044 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.348 -2.589 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.146 -4.736 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.263 -4.073 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.177 -5.416 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.739 -4.297 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.650 -4.950 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.071 -3.302 -1.580 1.00 0.00 H new ATOM 546 N ASN A 32 -13.932 -1.300 -3.154 1.00 0.00 N ATOM 547 CA ASN A 32 -15.247 -0.677 -3.258 1.00 0.00 C ATOM 548 C ASN A 32 -15.438 0.011 -4.604 1.00 0.00 C ATOM 549 O ASN A 32 -16.439 0.688 -4.830 1.00 0.00 O ATOM 550 CB ASN A 32 -15.455 0.322 -2.117 1.00 0.00 C ATOM 551 CG ASN A 32 -15.561 -0.360 -0.767 1.00 0.00 C ATOM 552 OD1 ASN A 32 -16.646 -0.752 -0.340 1.00 0.00 O ATOM 553 ND2 ASN A 32 -14.437 -0.508 -0.087 1.00 0.00 N ATOM 0 H ASN A 32 -13.178 -0.658 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 32 -15.994 -1.467 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.625 1.029 -2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.361 0.898 -2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.450 -0.961 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.557 -0.169 -0.476 1.00 0.00 H new ATOM 560 N SER A 33 -14.477 -0.161 -5.492 1.00 0.00 N ATOM 561 CA SER A 33 -14.579 0.367 -6.839 1.00 0.00 C ATOM 562 C SER A 33 -14.730 -0.787 -7.811 1.00 0.00 C ATOM 563 O SER A 33 -14.218 -1.878 -7.563 1.00 0.00 O ATOM 564 CB SER A 33 -13.340 1.198 -7.186 1.00 0.00 C ATOM 565 OG SER A 33 -13.404 1.711 -8.506 1.00 0.00 O ATOM 0 H SER A 33 -13.611 -0.666 -5.303 1.00 0.00 H new ATOM 0 HA SER A 33 -15.450 1.018 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.246 2.023 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.447 0.582 -7.078 1.00 0.00 H new ATOM 0 HG SER A 33 -12.657 1.356 -9.031 1.00 0.00 H new ATOM 571 N ASP A 34 -15.409 -0.552 -8.926 1.00 0.00 N ATOM 572 CA ASP A 34 -15.657 -1.612 -9.897 1.00 0.00 C ATOM 573 C ASP A 34 -14.358 -2.012 -10.595 1.00 0.00 C ATOM 574 O ASP A 34 -14.331 -2.939 -11.404 1.00 0.00 O ATOM 575 CB ASP A 34 -16.708 -1.175 -10.916 1.00 0.00 C ATOM 576 CG ASP A 34 -17.249 -2.338 -11.726 1.00 0.00 C ATOM 577 OD1 ASP A 34 -18.054 -3.119 -11.178 1.00 0.00 O ATOM 578 OD2 ASP A 34 -16.884 -2.466 -12.909 1.00 0.00 O ATOM 0 H ASP A 34 -15.796 0.357 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.042 -2.482 -9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.531 -0.684 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.272 -0.438 -11.590 1.00 0.00 H new ATOM 583 N THR A 35 -13.284 -1.301 -10.260 1.00 0.00 N ATOM 584 CA THR A 35 -11.943 -1.626 -10.722 1.00 0.00 C ATOM 585 C THR A 35 -11.654 -3.114 -10.526 1.00 0.00 C ATOM 586 O THR A 35 -11.255 -3.806 -11.460 1.00 0.00 O ATOM 587 CB THR A 35 -10.899 -0.798 -9.945 1.00 0.00 C ATOM 588 OG1 THR A 35 -11.332 0.569 -9.863 1.00 0.00 O ATOM 589 CG2 THR A 35 -9.531 -0.864 -10.613 1.00 0.00 C ATOM 0 H THR A 35 -13.323 -0.479 -9.657 1.00 0.00 H new ATOM 0 HA THR A 35 -11.881 -1.387 -11.784 1.00 0.00 H new ATOM 0 HB THR A 35 -10.808 -1.219 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.668 1.093 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.818 -0.270 -10.041 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.194 -1.900 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.602 -0.469 -11.626 1.00 0.00 H new ATOM 597 N PHE A 36 -11.886 -3.603 -9.311 1.00 0.00 N ATOM 598 CA PHE A 36 -11.699 -5.016 -9.002 1.00 0.00 C ATOM 599 C PHE A 36 -12.778 -5.500 -8.041 1.00 0.00 C ATOM 600 O PHE A 36 -12.567 -6.450 -7.291 1.00 0.00 O ATOM 601 CB PHE A 36 -10.315 -5.265 -8.396 1.00 0.00 C ATOM 602 CG PHE A 36 -9.184 -5.155 -9.380 1.00 0.00 C ATOM 603 CD1 PHE A 36 -8.961 -6.158 -10.313 1.00 0.00 C ATOM 604 CD2 PHE A 36 -8.344 -4.055 -9.374 1.00 0.00 C ATOM 605 CE1 PHE A 36 -7.923 -6.061 -11.218 1.00 0.00 C ATOM 606 CE2 PHE A 36 -7.305 -3.953 -10.278 1.00 0.00 C ATOM 607 CZ PHE A 36 -7.094 -4.957 -11.201 1.00 0.00 C ATOM 0 H PHE A 36 -12.205 -3.039 -8.523 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.776 -5.575 -9.934 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.150 -4.552 -7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.299 -6.260 -7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.606 -7.024 -10.331 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.503 -3.267 -8.653 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.759 -6.848 -11.939 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.658 -3.088 -10.263 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.282 -4.879 -11.909 1.00 0.00 H new ATOM 617 N LYS A 37 -13.948 -4.867 -8.110 1.00 0.00 N ATOM 618 CA LYS A 37 -15.062 -5.162 -7.201 1.00 0.00 C ATOM 619 C LYS A 37 -15.550 -6.607 -7.360 1.00 0.00 C ATOM 620 O LYS A 37 -16.296 -7.120 -6.523 1.00 0.00 O ATOM 621 CB LYS A 37 -16.207 -4.175 -7.458 1.00 0.00 C ATOM 622 CG LYS A 37 -17.261 -4.128 -6.363 1.00 0.00 C ATOM 623 CD LYS A 37 -18.093 -2.859 -6.471 1.00 0.00 C ATOM 624 CE LYS A 37 -19.195 -2.811 -5.422 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.269 -3.802 -5.695 1.00 0.00 N ATOM 0 H LYS A 37 -14.153 -4.138 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.710 -5.050 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.787 -3.177 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.691 -4.437 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.909 -5.001 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.780 -4.171 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.445 -1.990 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.536 -2.799 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.767 -3.002 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.625 -1.810 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.039 -3.678 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.638 -3.658 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.883 -4.764 -5.613 1.00 0.00 H new ATOM 639 N GLY A 38 -15.132 -7.255 -8.441 1.00 0.00 N ATOM 640 CA GLY A 38 -15.433 -8.663 -8.627 1.00 0.00 C ATOM 641 C GLY A 38 -14.709 -9.535 -7.618 1.00 0.00 C ATOM 642 O GLY A 38 -15.135 -10.654 -7.333 1.00 0.00 O ATOM 0 H GLY A 38 -14.589 -6.830 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.508 -8.819 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.151 -8.964 -9.636 1.00 0.00 H new ATOM 646 N GLN A 39 -13.612 -9.025 -7.076 1.00 0.00 N ATOM 647 CA GLN A 39 -12.832 -9.742 -6.076 1.00 0.00 C ATOM 648 C GLN A 39 -12.854 -8.982 -4.755 1.00 0.00 C ATOM 649 O GLN A 39 -12.128 -8.002 -4.592 1.00 0.00 O ATOM 650 CB GLN A 39 -11.379 -9.942 -6.527 1.00 0.00 C ATOM 651 CG GLN A 39 -11.207 -10.812 -7.768 1.00 0.00 C ATOM 652 CD GLN A 39 -11.564 -10.102 -9.064 1.00 0.00 C ATOM 653 OE1 GLN A 39 -11.379 -8.790 -9.102 1.00 0.00 O flip ATOM 654 NE2 GLN A 39 -11.999 -10.730 -10.028 1.00 0.00 N flip ATOM 0 H GLN A 39 -13.238 -8.107 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.285 -10.725 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.936 -8.965 -6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.817 -10.389 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.173 -11.152 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.830 -11.701 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.129 -11.740 -9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.230 -10.241 -10.893 1.00 0.00 H new ATOM 663 N PRO A 40 -13.686 -9.418 -3.798 1.00 0.00 N ATOM 664 CA PRO A 40 -13.834 -8.739 -2.504 1.00 0.00 C ATOM 665 C PRO A 40 -12.541 -8.733 -1.689 1.00 0.00 C ATOM 666 O PRO A 40 -12.292 -7.817 -0.909 1.00 0.00 O ATOM 667 CB PRO A 40 -14.912 -9.558 -1.781 1.00 0.00 C ATOM 668 CG PRO A 40 -15.601 -10.330 -2.854 1.00 0.00 C ATOM 669 CD PRO A 40 -14.559 -10.597 -3.900 1.00 0.00 C ATOM 0 HA PRO A 40 -14.093 -7.688 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.470 -10.223 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.610 -8.910 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.011 -11.262 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.435 -9.764 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.016 -11.521 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.998 -10.691 -4.893 1.00 0.00 H new ATOM 677 N ILE A 41 -11.726 -9.764 -1.866 1.00 0.00 N ATOM 678 CA ILE A 41 -10.484 -9.886 -1.118 1.00 0.00 C ATOM 679 C ILE A 41 -9.351 -10.330 -2.035 1.00 0.00 C ATOM 680 O ILE A 41 -9.537 -11.188 -2.900 1.00 0.00 O ATOM 681 CB ILE A 41 -10.622 -10.885 0.055 1.00 0.00 C ATOM 682 CG1 ILE A 41 -11.757 -10.454 0.985 1.00 0.00 C ATOM 683 CG2 ILE A 41 -9.313 -10.992 0.829 1.00 0.00 C ATOM 684 CD1 ILE A 41 -11.969 -11.379 2.158 1.00 0.00 C ATOM 0 H ILE A 41 -11.903 -10.526 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.255 -8.903 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.858 -11.867 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.547 -9.452 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.681 -10.393 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.432 -11.700 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.523 -11.339 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.046 -10.014 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.790 -11.007 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.211 -12.378 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.059 -11.421 2.757 1.00 0.00 H new ATOM 696 N PHE A 42 -8.186 -9.730 -1.846 1.00 0.00 N ATOM 697 CA PHE A 42 -7.011 -10.071 -2.628 1.00 0.00 C ATOM 698 C PHE A 42 -6.054 -10.884 -1.776 1.00 0.00 C ATOM 699 O PHE A 42 -6.058 -10.763 -0.555 1.00 0.00 O ATOM 700 CB PHE A 42 -6.327 -8.800 -3.136 1.00 0.00 C ATOM 701 CG PHE A 42 -7.240 -7.921 -3.945 1.00 0.00 C ATOM 702 CD1 PHE A 42 -7.453 -8.172 -5.291 1.00 0.00 C ATOM 703 CD2 PHE A 42 -7.894 -6.849 -3.354 1.00 0.00 C ATOM 704 CE1 PHE A 42 -8.300 -7.371 -6.033 1.00 0.00 C ATOM 705 CE2 PHE A 42 -8.743 -6.048 -4.092 1.00 0.00 C ATOM 706 CZ PHE A 42 -8.945 -6.310 -5.432 1.00 0.00 C ATOM 0 H PHE A 42 -8.030 -8.999 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.312 -10.666 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.948 -8.234 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.466 -9.076 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.952 -9.003 -5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.737 -6.639 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.457 -7.575 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.248 -5.218 -3.621 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.608 -5.684 -6.010 1.00 0.00 H new ATOM 716 N ASP A 43 -5.244 -11.717 -2.411 1.00 0.00 N ATOM 717 CA ASP A 43 -4.338 -12.591 -1.676 1.00 0.00 C ATOM 718 C ASP A 43 -3.048 -11.857 -1.304 1.00 0.00 C ATOM 719 O ASP A 43 -2.876 -10.675 -1.612 1.00 0.00 O ATOM 720 CB ASP A 43 -4.018 -13.848 -2.494 1.00 0.00 C ATOM 721 CG ASP A 43 -2.840 -13.663 -3.429 1.00 0.00 C ATOM 722 OD1 ASP A 43 -2.929 -12.834 -4.357 1.00 0.00 O ATOM 723 OD2 ASP A 43 -1.814 -14.344 -3.223 1.00 0.00 O ATOM 0 H ASP A 43 -5.194 -11.808 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.837 -12.892 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.809 -14.674 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.896 -14.129 -3.076 1.00 0.00 H new ATOM 728 N HIS A 44 -2.134 -12.570 -0.655 1.00 0.00 N ATOM 729 CA HIS A 44 -0.900 -11.970 -0.162 1.00 0.00 C ATOM 730 C HIS A 44 0.061 -11.631 -1.301 1.00 0.00 C ATOM 731 O HIS A 44 0.882 -10.723 -1.172 1.00 0.00 O ATOM 732 CB HIS A 44 -0.224 -12.888 0.858 1.00 0.00 C ATOM 733 CG HIS A 44 -0.980 -13.006 2.150 1.00 0.00 C ATOM 734 ND1 HIS A 44 -1.110 -14.191 2.838 1.00 0.00 N ATOM 735 CD2 HIS A 44 -1.641 -12.076 2.886 1.00 0.00 C ATOM 736 CE1 HIS A 44 -1.814 -13.988 3.936 1.00 0.00 C ATOM 737 NE2 HIS A 44 -2.147 -12.716 3.989 1.00 0.00 N ATOM 0 H HIS A 44 -2.225 -13.567 -0.458 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.166 -11.035 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.108 -13.880 0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.778 -12.512 1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.748 -11.028 2.648 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.073 -14.739 4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.693 -12.277 4.730 1.00 0.00 H new ATOM 746 N ALA A 45 -0.044 -12.338 -2.420 1.00 0.00 N ATOM 747 CA ALA A 45 0.765 -12.009 -3.586 1.00 0.00 C ATOM 748 C ALA A 45 0.302 -10.680 -4.165 1.00 0.00 C ATOM 749 O ALA A 45 1.116 -9.835 -4.549 1.00 0.00 O ATOM 750 CB ALA A 45 0.691 -13.109 -4.633 1.00 0.00 C ATOM 0 H ALA A 45 -0.672 -13.132 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 45 1.807 -11.922 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.304 -12.836 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.059 -14.042 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.343 -13.238 -4.952 1.00 0.00 H new ATOM 756 N HIS A 46 -1.015 -10.491 -4.197 1.00 0.00 N ATOM 757 CA HIS A 46 -1.600 -9.231 -4.641 1.00 0.00 C ATOM 758 C HIS A 46 -1.363 -8.135 -3.610 1.00 0.00 C ATOM 759 O HIS A 46 -1.411 -6.951 -3.937 1.00 0.00 O ATOM 760 CB HIS A 46 -3.092 -9.389 -4.933 1.00 0.00 C ATOM 761 CG HIS A 46 -3.360 -10.029 -6.259 1.00 0.00 C ATOM 762 ND1 HIS A 46 -3.412 -11.390 -6.441 1.00 0.00 N ATOM 763 CD2 HIS A 46 -3.563 -9.481 -7.479 1.00 0.00 C ATOM 764 CE1 HIS A 46 -3.632 -11.655 -7.713 1.00 0.00 C ATOM 765 NE2 HIS A 46 -3.728 -10.513 -8.369 1.00 0.00 N ATOM 0 H HIS A 46 -1.697 -11.197 -3.920 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.108 -8.940 -5.569 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.550 -9.989 -4.146 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.569 -8.409 -4.905 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.298 -12.087 -5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.590 -8.426 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.719 -12.641 -8.146 1.00 0.00 H new ATOM 774 N THR A 47 -1.112 -8.533 -2.367 1.00 0.00 N ATOM 775 CA THR A 47 -0.629 -7.602 -1.357 1.00 0.00 C ATOM 776 C THR A 47 0.658 -6.957 -1.849 1.00 0.00 C ATOM 777 O THR A 47 0.741 -5.739 -1.985 1.00 0.00 O ATOM 778 CB THR A 47 -0.353 -8.307 -0.012 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.580 -8.770 0.567 1.00 0.00 O ATOM 780 CG2 THR A 47 0.378 -7.380 0.955 1.00 0.00 C ATOM 0 H THR A 47 -1.235 -9.490 -2.037 1.00 0.00 H new ATOM 0 HA THR A 47 -1.403 -6.852 -1.194 1.00 0.00 H new ATOM 0 HB THR A 47 0.291 -9.165 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.389 -9.245 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.559 -7.903 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.330 -7.077 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.232 -6.497 1.144 1.00 0.00 H new ATOM 788 N ARG A 48 1.640 -7.804 -2.140 1.00 0.00 N ATOM 789 CA ARG A 48 2.906 -7.370 -2.716 1.00 0.00 C ATOM 790 C ARG A 48 2.667 -6.508 -3.948 1.00 0.00 C ATOM 791 O ARG A 48 3.273 -5.452 -4.114 1.00 0.00 O ATOM 792 CB ARG A 48 3.726 -8.598 -3.105 1.00 0.00 C ATOM 793 CG ARG A 48 4.967 -8.281 -3.917 1.00 0.00 C ATOM 794 CD ARG A 48 5.356 -9.461 -4.788 1.00 0.00 C ATOM 795 NE ARG A 48 4.280 -9.828 -5.712 1.00 0.00 N ATOM 796 CZ ARG A 48 4.471 -10.175 -6.986 1.00 0.00 C ATOM 797 NH1 ARG A 48 5.697 -10.209 -7.499 1.00 0.00 N ATOM 798 NH2 ARG A 48 3.431 -10.485 -7.749 1.00 0.00 N ATOM 0 H ARG A 48 1.580 -8.810 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 48 3.446 -6.778 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.023 -9.126 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.094 -9.277 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.785 -7.406 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.790 -8.029 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.254 -9.215 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.601 -10.315 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 48 3.323 -9.818 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.500 -9.969 -6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.835 -10.475 -8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.488 -10.458 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.574 -10.751 -8.723 1.00 0.00 H new ATOM 812 N GLU A 49 1.766 -6.977 -4.798 1.00 0.00 N ATOM 813 CA GLU A 49 1.447 -6.312 -6.051 1.00 0.00 C ATOM 814 C GLU A 49 0.935 -4.891 -5.813 1.00 0.00 C ATOM 815 O GLU A 49 1.430 -3.935 -6.413 1.00 0.00 O ATOM 816 CB GLU A 49 0.402 -7.140 -6.798 1.00 0.00 C ATOM 817 CG GLU A 49 0.155 -6.700 -8.225 1.00 0.00 C ATOM 818 CD GLU A 49 -0.790 -7.637 -8.942 1.00 0.00 C ATOM 819 OE1 GLU A 49 -0.400 -8.798 -9.191 1.00 0.00 O ATOM 820 OE2 GLU A 49 -1.931 -7.233 -9.236 1.00 0.00 O ATOM 0 H GLU A 49 1.234 -7.832 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 49 2.354 -6.233 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.719 -8.183 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.539 -7.095 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.259 -5.692 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.103 -6.657 -8.762 1.00 0.00 H new ATOM 827 N PHE A 50 -0.044 -4.751 -4.927 1.00 0.00 N ATOM 828 CA PHE A 50 -0.626 -3.446 -4.640 1.00 0.00 C ATOM 829 C PHE A 50 0.320 -2.578 -3.820 1.00 0.00 C ATOM 830 O PHE A 50 0.396 -1.369 -4.035 1.00 0.00 O ATOM 831 CB PHE A 50 -1.973 -3.590 -3.931 1.00 0.00 C ATOM 832 CG PHE A 50 -3.099 -3.924 -4.868 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.223 -3.259 -6.077 1.00 0.00 C ATOM 834 CD2 PHE A 50 -4.043 -4.883 -4.537 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.259 -3.545 -6.940 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.083 -5.175 -5.400 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.192 -4.500 -6.601 1.00 0.00 C ATOM 0 H PHE A 50 -0.450 -5.522 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.791 -2.948 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.896 -4.369 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.204 -2.660 -3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.498 -2.506 -6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.966 -5.407 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.339 -3.021 -7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.809 -5.930 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.008 -4.721 -7.273 1.00 0.00 H new ATOM 847 N ILE A 51 1.043 -3.190 -2.886 1.00 0.00 N ATOM 848 CA ILE A 51 2.038 -2.460 -2.108 1.00 0.00 C ATOM 849 C ILE A 51 3.098 -1.874 -3.037 1.00 0.00 C ATOM 850 O ILE A 51 3.443 -0.694 -2.942 1.00 0.00 O ATOM 851 CB ILE A 51 2.710 -3.349 -1.032 1.00 0.00 C ATOM 852 CG1 ILE A 51 1.706 -3.715 0.069 1.00 0.00 C ATOM 853 CG2 ILE A 51 3.923 -2.647 -0.431 1.00 0.00 C ATOM 854 CD1 ILE A 51 1.109 -2.517 0.781 1.00 0.00 C ATOM 0 H ILE A 51 0.960 -4.179 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 51 1.518 -1.656 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 51 3.048 -4.267 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.900 -4.303 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.202 -4.351 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.379 -3.290 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.649 -2.438 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.610 -1.711 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.410 -2.859 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.905 -1.939 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.582 -1.891 0.061 1.00 0.00 H new ATOM 866 N GLN A 52 3.581 -2.700 -3.962 1.00 0.00 N ATOM 867 CA GLN A 52 4.577 -2.276 -4.935 1.00 0.00 C ATOM 868 C GLN A 52 4.012 -1.198 -5.860 1.00 0.00 C ATOM 869 O GLN A 52 4.704 -0.238 -6.197 1.00 0.00 O ATOM 870 CB GLN A 52 5.057 -3.476 -5.762 1.00 0.00 C ATOM 871 CG GLN A 52 6.103 -3.130 -6.813 1.00 0.00 C ATOM 872 CD GLN A 52 7.389 -2.600 -6.211 1.00 0.00 C ATOM 873 OE1 GLN A 52 8.305 -3.361 -5.900 1.00 0.00 O ATOM 874 NE2 GLN A 52 7.470 -1.288 -6.047 1.00 0.00 N ATOM 0 H GLN A 52 3.294 -3.674 -4.056 1.00 0.00 H new ATOM 0 HA GLN A 52 5.423 -1.855 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.470 -4.226 -5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.198 -3.930 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.324 -4.018 -7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.693 -2.386 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.688 -0.691 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.314 -0.875 -5.650 1.00 0.00 H new ATOM 883 N SER A 53 2.755 -1.358 -6.258 1.00 0.00 N ATOM 884 CA SER A 53 2.104 -0.397 -7.141 1.00 0.00 C ATOM 885 C SER A 53 1.923 0.952 -6.448 1.00 0.00 C ATOM 886 O SER A 53 2.007 2.002 -7.086 1.00 0.00 O ATOM 887 CB SER A 53 0.752 -0.937 -7.612 1.00 0.00 C ATOM 888 OG SER A 53 0.916 -2.128 -8.367 1.00 0.00 O ATOM 0 H SER A 53 2.166 -2.144 -5.983 1.00 0.00 H new ATOM 0 HA SER A 53 2.746 -0.248 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.114 -1.133 -6.750 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.247 -0.185 -8.218 1.00 0.00 H new ATOM 0 HG SER A 53 1.065 -2.882 -7.760 1.00 0.00 H new ATOM 894 N PHE A 54 1.689 0.924 -5.142 1.00 0.00 N ATOM 895 CA PHE A 54 1.547 2.154 -4.378 1.00 0.00 C ATOM 896 C PHE A 54 2.873 2.909 -4.351 1.00 0.00 C ATOM 897 O PHE A 54 2.904 4.132 -4.442 1.00 0.00 O ATOM 898 CB PHE A 54 1.069 1.863 -2.954 1.00 0.00 C ATOM 899 CG PHE A 54 0.668 3.101 -2.206 1.00 0.00 C ATOM 900 CD1 PHE A 54 -0.587 3.656 -2.393 1.00 0.00 C ATOM 901 CD2 PHE A 54 1.544 3.715 -1.327 1.00 0.00 C ATOM 902 CE1 PHE A 54 -0.962 4.800 -1.717 1.00 0.00 C ATOM 903 CE2 PHE A 54 1.176 4.860 -0.650 1.00 0.00 C ATOM 904 CZ PHE A 54 -0.079 5.403 -0.844 1.00 0.00 C ATOM 0 H PHE A 54 1.594 0.069 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 54 0.795 2.776 -4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.222 1.179 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.863 1.355 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.281 3.188 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.526 3.293 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.944 5.222 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.869 5.331 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.369 6.298 -0.314 1.00 0.00 H new ATOM 914 N ILE A 55 3.965 2.160 -4.242 1.00 0.00 N ATOM 915 CA ILE A 55 5.305 2.737 -4.303 1.00 0.00 C ATOM 916 C ILE A 55 5.604 3.203 -5.728 1.00 0.00 C ATOM 917 O ILE A 55 6.339 4.162 -5.952 1.00 0.00 O ATOM 918 CB ILE A 55 6.372 1.705 -3.869 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.048 1.162 -2.474 1.00 0.00 C ATOM 920 CG2 ILE A 55 7.764 2.324 -3.893 1.00 0.00 C ATOM 921 CD1 ILE A 55 6.967 0.045 -2.023 1.00 0.00 C ATOM 0 H ILE A 55 3.949 1.149 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 55 5.341 3.586 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 55 6.358 0.876 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.104 1.979 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.020 0.800 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.498 1.580 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.994 2.663 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.797 3.172 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.675 -0.287 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.894 -0.790 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.995 0.407 -1.998 1.00 0.00 H new ATOM 933 N GLU A 56 5.002 2.515 -6.687 1.00 0.00 N ATOM 934 CA GLU A 56 5.187 2.821 -8.098 1.00 0.00 C ATOM 935 C GLU A 56 4.439 4.100 -8.472 1.00 0.00 C ATOM 936 O GLU A 56 4.688 4.702 -9.518 1.00 0.00 O ATOM 937 CB GLU A 56 4.706 1.635 -8.936 1.00 0.00 C ATOM 938 CG GLU A 56 5.092 1.702 -10.400 1.00 0.00 C ATOM 939 CD GLU A 56 4.875 0.379 -11.098 1.00 0.00 C ATOM 940 OE1 GLU A 56 3.755 0.132 -11.583 1.00 0.00 O ATOM 941 OE2 GLU A 56 5.825 -0.432 -11.147 1.00 0.00 O ATOM 0 H GLU A 56 4.373 1.731 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 56 6.245 2.990 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.109 0.717 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.620 1.571 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.505 2.475 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.139 1.992 -10.487 1.00 0.00 H new ATOM 948 N ARG A 57 3.519 4.514 -7.606 1.00 0.00 N ATOM 949 CA ARG A 57 2.840 5.793 -7.764 1.00 0.00 C ATOM 950 C ARG A 57 3.847 6.941 -7.699 1.00 0.00 C ATOM 951 O ARG A 57 3.696 7.950 -8.390 1.00 0.00 O ATOM 952 CB ARG A 57 1.769 5.972 -6.681 1.00 0.00 C ATOM 953 CG ARG A 57 1.206 7.383 -6.607 1.00 0.00 C ATOM 954 CD ARG A 57 0.205 7.536 -5.474 1.00 0.00 C ATOM 955 NE ARG A 57 -1.085 6.923 -5.782 1.00 0.00 N ATOM 956 CZ ARG A 57 -2.249 7.369 -5.306 1.00 0.00 C ATOM 957 NH1 ARG A 57 -2.276 8.402 -4.468 1.00 0.00 N ATOM 958 NH2 ARG A 57 -3.384 6.782 -5.667 1.00 0.00 N ATOM 0 H ARG A 57 3.227 3.981 -6.787 1.00 0.00 H new ATOM 0 HA ARG A 57 2.354 5.805 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.953 5.274 -6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.196 5.709 -5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.022 8.092 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.724 7.632 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.612 7.084 -4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.059 8.595 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.096 6.108 -6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.406 8.855 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.167 8.741 -4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.367 5.989 -6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.273 7.124 -5.303 1.00 0.00 H new ATOM 972 N ASP A 58 4.885 6.764 -6.885 1.00 0.00 N ATOM 973 CA ASP A 58 5.918 7.782 -6.710 1.00 0.00 C ATOM 974 C ASP A 58 6.676 8.037 -8.013 1.00 0.00 C ATOM 975 O ASP A 58 7.260 9.107 -8.201 1.00 0.00 O ATOM 976 CB ASP A 58 6.898 7.375 -5.601 1.00 0.00 C ATOM 977 CG ASP A 58 6.309 7.527 -4.206 1.00 0.00 C ATOM 978 OD1 ASP A 58 5.479 6.688 -3.803 1.00 0.00 O ATOM 979 OD2 ASP A 58 6.674 8.498 -3.506 1.00 0.00 O ATOM 0 H ASP A 58 5.033 5.919 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 58 5.421 8.708 -6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.199 6.338 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.799 7.983 -5.678 1.00 0.00 H new ATOM 984 N ASP A 59 6.646 7.061 -8.923 1.00 0.00 N ATOM 985 CA ASP A 59 7.294 7.204 -10.229 1.00 0.00 C ATOM 986 C ASP A 59 6.662 8.325 -11.045 1.00 0.00 C ATOM 987 O ASP A 59 7.306 8.899 -11.921 1.00 0.00 O ATOM 988 CB ASP A 59 7.223 5.901 -11.034 1.00 0.00 C ATOM 989 CG ASP A 59 8.346 4.938 -10.710 1.00 0.00 C ATOM 990 OD1 ASP A 59 9.507 5.227 -11.073 1.00 0.00 O ATOM 991 OD2 ASP A 59 8.081 3.875 -10.111 1.00 0.00 O ATOM 0 H ASP A 59 6.181 6.165 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 59 8.338 7.449 -10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.268 5.413 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.251 6.137 -12.098 1.00 0.00 H new ATOM 996 N THR A 60 5.406 8.635 -10.748 1.00 0.00 N ATOM 997 CA THR A 60 4.680 9.667 -11.476 1.00 0.00 C ATOM 998 C THR A 60 5.355 11.026 -11.306 1.00 0.00 C ATOM 999 O THR A 60 5.550 11.764 -12.272 1.00 0.00 O ATOM 1000 CB THR A 60 3.220 9.752 -10.995 1.00 0.00 C ATOM 1001 OG1 THR A 60 2.679 8.429 -10.861 1.00 0.00 O ATOM 1002 CG2 THR A 60 2.367 10.551 -11.970 1.00 0.00 C ATOM 0 H THR A 60 4.869 8.185 -10.007 1.00 0.00 H new ATOM 0 HA THR A 60 4.689 9.396 -12.532 1.00 0.00 H new ATOM 0 HB THR A 60 3.208 10.259 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.804 8.116 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.341 10.594 -11.605 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.764 11.562 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.384 10.069 -12.948 1.00 0.00 H new ATOM 1010 N GLU A 61 5.741 11.331 -10.073 1.00 0.00 N ATOM 1011 CA GLU A 61 6.432 12.579 -9.776 1.00 0.00 C ATOM 1012 C GLU A 61 7.833 12.559 -10.371 1.00 0.00 C ATOM 1013 O GLU A 61 8.359 13.591 -10.786 1.00 0.00 O ATOM 1014 CB GLU A 61 6.503 12.812 -8.265 1.00 0.00 C ATOM 1015 CG GLU A 61 5.152 13.084 -7.624 1.00 0.00 C ATOM 1016 CD GLU A 61 5.250 13.318 -6.130 1.00 0.00 C ATOM 1017 OE1 GLU A 61 5.985 14.237 -5.710 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.601 12.575 -5.363 1.00 0.00 O ATOM 0 H GLU A 61 5.587 10.731 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 61 5.870 13.398 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.950 11.937 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.165 13.655 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.700 13.957 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.488 12.240 -7.813 1.00 0.00 H new ATOM 1025 N LEU A 62 8.427 11.373 -10.424 1.00 0.00 N ATOM 1026 CA LEU A 62 9.761 11.213 -10.982 1.00 0.00 C ATOM 1027 C LEU A 62 9.751 11.469 -12.487 1.00 0.00 C ATOM 1028 O LEU A 62 10.672 12.088 -13.022 1.00 0.00 O ATOM 1029 CB LEU A 62 10.307 9.815 -10.682 1.00 0.00 C ATOM 1030 CG LEU A 62 11.735 9.549 -11.169 1.00 0.00 C ATOM 1031 CD1 LEU A 62 12.701 10.584 -10.611 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.172 8.150 -10.770 1.00 0.00 C ATOM 0 H LEU A 62 8.004 10.508 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 62 10.416 11.947 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.273 9.653 -9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.643 9.079 -11.136 1.00 0.00 H new ATOM 0 HG LEU A 62 11.746 9.626 -12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.708 10.373 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.399 11.578 -10.940 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.689 10.543 -9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.188 7.972 -11.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.142 8.055 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.500 7.417 -11.217 1.00 0.00 H new ATOM 1044 N ASP A 63 8.707 11.005 -13.168 1.00 0.00 N ATOM 1045 CA ASP A 63 8.579 11.255 -14.599 1.00 0.00 C ATOM 1046 C ASP A 63 8.357 12.739 -14.849 1.00 0.00 C ATOM 1047 O ASP A 63 8.870 13.296 -15.817 1.00 0.00 O ATOM 1048 CB ASP A 63 7.438 10.449 -15.220 1.00 0.00 C ATOM 1049 CG ASP A 63 7.358 10.654 -16.724 1.00 0.00 C ATOM 1050 OD1 ASP A 63 8.206 10.091 -17.452 1.00 0.00 O ATOM 1051 OD2 ASP A 63 6.456 11.384 -17.190 1.00 0.00 O ATOM 0 H ASP A 63 7.947 10.461 -12.759 1.00 0.00 H new ATOM 0 HA ASP A 63 9.507 10.936 -15.073 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.581 9.390 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.494 10.743 -14.762 1.00 0.00 H new ATOM 1056 N GLU A 64 7.602 13.378 -13.961 1.00 0.00 N ATOM 1057 CA GLU A 64 7.410 14.821 -14.025 1.00 0.00 C ATOM 1058 C GLU A 64 8.742 15.551 -13.907 1.00 0.00 C ATOM 1059 O GLU A 64 8.970 16.544 -14.592 1.00 0.00 O ATOM 1060 CB GLU A 64 6.449 15.288 -12.933 1.00 0.00 C ATOM 1061 CG GLU A 64 4.987 15.108 -13.304 1.00 0.00 C ATOM 1062 CD GLU A 64 4.565 16.024 -14.435 1.00 0.00 C ATOM 1063 OE1 GLU A 64 4.933 15.755 -15.597 1.00 0.00 O ATOM 1064 OE2 GLU A 64 3.866 17.025 -14.166 1.00 0.00 O ATOM 0 H GLU A 64 7.115 12.920 -13.191 1.00 0.00 H new ATOM 0 HA GLU A 64 6.973 15.059 -14.995 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.655 14.735 -12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.636 16.340 -12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.813 14.072 -13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.366 15.303 -12.430 1.00 0.00 H new ATOM 1071 N LEU A 65 9.621 15.046 -13.048 1.00 0.00 N ATOM 1072 CA LEU A 65 10.962 15.605 -12.911 1.00 0.00 C ATOM 1073 C LEU A 65 11.728 15.460 -14.225 1.00 0.00 C ATOM 1074 O LEU A 65 12.371 16.399 -14.694 1.00 0.00 O ATOM 1075 CB LEU A 65 11.720 14.905 -11.775 1.00 0.00 C ATOM 1076 CG LEU A 65 11.089 15.039 -10.385 1.00 0.00 C ATOM 1077 CD1 LEU A 65 11.894 14.259 -9.357 1.00 0.00 C ATOM 1078 CD2 LEU A 65 10.987 16.501 -9.979 1.00 0.00 C ATOM 0 H LEU A 65 9.430 14.252 -12.437 1.00 0.00 H new ATOM 0 HA LEU A 65 10.875 16.664 -12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.805 13.845 -12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.733 15.305 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 65 10.082 14.623 -10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.431 14.365 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.916 13.205 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.912 14.646 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.536 16.573 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.983 16.943 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.368 17.036 -10.699 1.00 0.00 H new ATOM 1267 N PRO A 75 16.075 18.396 -12.242 1.00 0.00 N ATOM 1268 CA PRO A 75 16.066 18.303 -10.783 1.00 0.00 C ATOM 1269 C PRO A 75 17.118 17.331 -10.265 1.00 0.00 C ATOM 1270 O PRO A 75 16.789 16.360 -9.589 1.00 0.00 O ATOM 1271 CB PRO A 75 14.660 17.777 -10.453 1.00 0.00 C ATOM 1272 CG PRO A 75 13.907 17.783 -11.745 1.00 0.00 C ATOM 1273 CD PRO A 75 14.937 17.683 -12.829 1.00 0.00 C ATOM 0 HA PRO A 75 16.294 19.263 -10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.707 16.772 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.170 18.409 -9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.209 16.947 -11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.319 18.695 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.182 16.647 -13.063 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.599 18.148 -13.755 1.00 0.00 H new ATOM 1281 N SER A 76 18.378 17.615 -10.570 1.00 0.00 N ATOM 1282 CA SER A 76 19.494 16.749 -10.206 1.00 0.00 C ATOM 1283 C SER A 76 19.420 16.297 -8.747 1.00 0.00 C ATOM 1284 O SER A 76 19.430 15.099 -8.462 1.00 0.00 O ATOM 1285 CB SER A 76 20.810 17.479 -10.478 1.00 0.00 C ATOM 1286 OG SER A 76 20.763 18.811 -9.987 1.00 0.00 O ATOM 0 H SER A 76 18.656 18.455 -11.078 1.00 0.00 H new ATOM 0 HA SER A 76 19.439 15.848 -10.818 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.632 16.942 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.010 17.489 -11.549 1.00 0.00 H new ATOM 0 HG SER A 76 21.616 19.258 -10.171 1.00 0.00 H new ATOM 1292 N ASN A 77 19.313 17.257 -7.836 1.00 0.00 N ATOM 1293 CA ASN A 77 19.224 16.955 -6.410 1.00 0.00 C ATOM 1294 C ASN A 77 17.855 16.386 -6.051 1.00 0.00 C ATOM 1295 O ASN A 77 17.747 15.430 -5.291 1.00 0.00 O ATOM 1296 CB ASN A 77 19.479 18.216 -5.583 1.00 0.00 C ATOM 1297 CG ASN A 77 19.478 17.941 -4.090 1.00 0.00 C ATOM 1298 OD1 ASN A 77 19.927 16.886 -3.637 1.00 0.00 O ATOM 1299 ND2 ASN A 77 18.959 18.880 -3.315 1.00 0.00 N ATOM 0 H ASN A 77 19.286 18.252 -8.058 1.00 0.00 H new ATOM 0 HA ASN A 77 19.984 16.208 -6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.438 18.647 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.715 18.958 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.921 18.744 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.598 19.740 -3.728 1.00 0.00 H new ATOM 1306 N ARG A 78 16.810 16.967 -6.622 1.00 0.00 N ATOM 1307 CA ARG A 78 15.444 16.628 -6.234 1.00 0.00 C ATOM 1308 C ARG A 78 15.066 15.211 -6.676 1.00 0.00 C ATOM 1309 O ARG A 78 14.222 14.567 -6.054 1.00 0.00 O ATOM 1310 CB ARG A 78 14.467 17.654 -6.810 1.00 0.00 C ATOM 1311 CG ARG A 78 13.432 18.137 -5.805 1.00 0.00 C ATOM 1312 CD ARG A 78 12.705 19.373 -6.312 1.00 0.00 C ATOM 1313 NE ARG A 78 11.798 19.938 -5.311 1.00 0.00 N ATOM 1314 CZ ARG A 78 11.952 21.147 -4.764 1.00 0.00 C ATOM 1315 NH1 ARG A 78 13.015 21.887 -5.057 1.00 0.00 N ATOM 1316 NH2 ARG A 78 11.057 21.619 -3.909 1.00 0.00 N ATOM 0 H ARG A 78 16.879 17.674 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 78 15.386 16.654 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.029 18.511 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.954 17.215 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.711 17.342 -5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.920 18.363 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.436 20.127 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.139 19.116 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 78 11.001 19.375 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.720 21.533 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.126 22.809 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.241 21.058 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.184 22.543 -3.497 1.00 0.00 H new ATOM 1330 N GLN A 79 15.697 14.725 -7.745 1.00 0.00 N ATOM 1331 CA GLN A 79 15.494 13.346 -8.189 1.00 0.00 C ATOM 1332 C GLN A 79 16.131 12.380 -7.196 1.00 0.00 C ATOM 1333 O GLN A 79 15.723 11.224 -7.086 1.00 0.00 O ATOM 1334 CB GLN A 79 16.078 13.125 -9.589 1.00 0.00 C ATOM 1335 CG GLN A 79 15.336 13.873 -10.688 1.00 0.00 C ATOM 1336 CD GLN A 79 15.951 13.665 -12.059 1.00 0.00 C ATOM 1337 OE1 GLN A 79 15.898 14.548 -12.916 1.00 0.00 O ATOM 1338 NE2 GLN A 79 16.532 12.498 -12.281 1.00 0.00 N ATOM 0 H GLN A 79 16.349 15.262 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 79 14.422 13.157 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 79 17.122 13.437 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 79 16.064 12.059 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.297 13.544 -10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.329 14.938 -10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 79 16.555 11.792 -11.545 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.957 12.304 -13.188 1.00 0.00 H new ATOM 1347 N VAL A 80 17.120 12.872 -6.463 1.00 0.00 N ATOM 1348 CA VAL A 80 17.760 12.082 -5.418 1.00 0.00 C ATOM 1349 C VAL A 80 16.808 11.919 -4.238 1.00 0.00 C ATOM 1350 O VAL A 80 16.712 10.845 -3.648 1.00 0.00 O ATOM 1351 CB VAL A 80 19.080 12.724 -4.936 1.00 0.00 C ATOM 1352 CG1 VAL A 80 19.716 11.897 -3.828 1.00 0.00 C ATOM 1353 CG2 VAL A 80 20.046 12.887 -6.098 1.00 0.00 C ATOM 0 H VAL A 80 17.497 13.813 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 80 18.000 11.107 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 80 18.850 13.710 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.644 12.371 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.030 11.832 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.930 10.895 -4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.971 13.341 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.264 11.910 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.597 13.527 -6.857 1.00 0.00 H new ATOM 1363 N LEU A 81 16.092 12.991 -3.914 1.00 0.00 N ATOM 1364 CA LEU A 81 15.067 12.939 -2.877 1.00 0.00 C ATOM 1365 C LEU A 81 13.949 11.987 -3.288 1.00 0.00 C ATOM 1366 O LEU A 81 13.365 11.297 -2.452 1.00 0.00 O ATOM 1367 CB LEU A 81 14.496 14.336 -2.594 1.00 0.00 C ATOM 1368 CG LEU A 81 15.327 15.225 -1.658 1.00 0.00 C ATOM 1369 CD1 LEU A 81 16.681 15.562 -2.265 1.00 0.00 C ATOM 1370 CD2 LEU A 81 14.565 16.499 -1.329 1.00 0.00 C ATOM 0 H LEU A 81 16.202 13.905 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 81 15.530 12.570 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.374 14.856 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.501 14.220 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 81 15.504 14.667 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.242 16.192 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.236 14.642 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.536 16.093 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.165 17.121 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.357 17.046 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.626 16.245 -0.838 1.00 0.00 H new ATOM 1382 N LEU A 82 13.661 11.952 -4.585 1.00 0.00 N ATOM 1383 CA LEU A 82 12.697 11.004 -5.128 1.00 0.00 C ATOM 1384 C LEU A 82 13.219 9.583 -4.911 1.00 0.00 C ATOM 1385 O LEU A 82 12.480 8.695 -4.481 1.00 0.00 O ATOM 1386 CB LEU A 82 12.473 11.280 -6.624 1.00 0.00 C ATOM 1387 CG LEU A 82 11.116 10.847 -7.207 1.00 0.00 C ATOM 1388 CD1 LEU A 82 10.921 9.338 -7.129 1.00 0.00 C ATOM 1389 CD2 LEU A 82 9.979 11.566 -6.499 1.00 0.00 C ATOM 0 H LEU A 82 14.082 12.570 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 82 11.741 11.114 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.592 12.350 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.261 10.778 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 82 11.109 11.125 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.951 9.074 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.710 8.840 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.963 9.019 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.027 11.248 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.001 11.324 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.093 12.642 -6.628 1.00 0.00 H new ATOM 1401 N GLN A 83 14.504 9.388 -5.199 1.00 0.00 N ATOM 1402 CA GLN A 83 15.164 8.108 -4.966 1.00 0.00 C ATOM 1403 C GLN A 83 15.023 7.684 -3.506 1.00 0.00 C ATOM 1404 O GLN A 83 14.660 6.545 -3.224 1.00 0.00 O ATOM 1405 CB GLN A 83 16.645 8.193 -5.348 1.00 0.00 C ATOM 1406 CG GLN A 83 17.439 6.947 -4.985 1.00 0.00 C ATOM 1407 CD GLN A 83 18.911 7.066 -5.325 1.00 0.00 C ATOM 1408 OE1 GLN A 83 19.293 7.737 -6.285 1.00 0.00 O ATOM 1409 NE2 GLN A 83 19.751 6.427 -4.525 1.00 0.00 N ATOM 0 H GLN A 83 15.111 10.105 -5.596 1.00 0.00 H new ATOM 0 HA GLN A 83 14.681 7.358 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.726 8.365 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.091 9.055 -4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.332 6.752 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.018 6.089 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.393 5.882 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.756 6.480 -4.693 1.00 0.00 H new ATOM 1418 N GLN A 84 15.297 8.612 -2.591 1.00 0.00 N ATOM 1419 CA GLN A 84 15.199 8.346 -1.155 1.00 0.00 C ATOM 1420 C GLN A 84 13.801 7.866 -0.776 1.00 0.00 C ATOM 1421 O GLN A 84 13.650 6.942 0.028 1.00 0.00 O ATOM 1422 CB GLN A 84 15.545 9.603 -0.357 1.00 0.00 C ATOM 1423 CG GLN A 84 16.982 10.064 -0.528 1.00 0.00 C ATOM 1424 CD GLN A 84 17.270 11.345 0.228 1.00 0.00 C ATOM 1425 OE1 GLN A 84 16.391 12.187 0.407 1.00 0.00 O ATOM 1426 NE2 GLN A 84 18.500 11.499 0.690 1.00 0.00 N ATOM 0 H GLN A 84 15.591 9.562 -2.820 1.00 0.00 H new ATOM 0 HA GLN A 84 15.912 7.557 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.877 10.409 -0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.358 9.414 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.656 9.281 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 84 17.189 10.216 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.202 10.779 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.746 12.338 1.215 1.00 0.00 H new ATOM 1435 N ARG A 85 12.784 8.497 -1.363 1.00 0.00 N ATOM 1436 CA ARG A 85 11.394 8.118 -1.127 1.00 0.00 C ATOM 1437 C ARG A 85 11.190 6.629 -1.394 1.00 0.00 C ATOM 1438 O ARG A 85 10.722 5.891 -0.524 1.00 0.00 O ATOM 1439 CB ARG A 85 10.459 8.946 -2.019 1.00 0.00 C ATOM 1440 CG ARG A 85 10.376 10.412 -1.622 1.00 0.00 C ATOM 1441 CD ARG A 85 9.750 11.265 -2.719 1.00 0.00 C ATOM 1442 NE ARG A 85 8.417 10.799 -3.107 1.00 0.00 N ATOM 1443 CZ ARG A 85 7.509 11.555 -3.732 1.00 0.00 C ATOM 1444 NH1 ARG A 85 7.762 12.830 -4.014 1.00 0.00 N ATOM 1445 NH2 ARG A 85 6.347 11.026 -4.073 1.00 0.00 N ATOM 0 H ARG A 85 12.900 9.278 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 85 11.156 8.319 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.801 8.877 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.460 8.512 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.789 10.508 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.376 10.785 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.684 12.298 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.401 11.260 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 85 8.165 9.836 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.658 13.242 -3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.060 13.396 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.149 10.049 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.648 11.595 -4.550 1.00 0.00 H new ATOM 1459 N ARG A 86 11.580 6.195 -2.585 1.00 0.00 N ATOM 1460 CA ARG A 86 11.409 4.804 -2.996 1.00 0.00 C ATOM 1461 C ARG A 86 12.359 3.883 -2.238 1.00 0.00 C ATOM 1462 O ARG A 86 11.999 2.760 -1.877 1.00 0.00 O ATOM 1463 CB ARG A 86 11.674 4.665 -4.493 1.00 0.00 C ATOM 1464 CG ARG A 86 11.368 3.280 -5.040 1.00 0.00 C ATOM 1465 CD ARG A 86 12.044 3.054 -6.382 1.00 0.00 C ATOM 1466 NE ARG A 86 11.937 4.220 -7.252 1.00 0.00 N ATOM 1467 CZ ARG A 86 11.040 4.353 -8.222 1.00 0.00 C ATOM 1468 NH1 ARG A 86 10.148 3.397 -8.453 1.00 0.00 N ATOM 1469 NH2 ARG A 86 11.040 5.448 -8.962 1.00 0.00 N ATOM 0 H ARG A 86 12.020 6.788 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 86 10.383 4.515 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.073 5.399 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.719 4.902 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.703 2.524 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.290 3.160 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.096 2.816 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.593 2.192 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 86 12.596 4.985 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.148 2.551 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.463 3.508 -9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.725 6.183 -8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.355 5.559 -9.709 1.00 0.00 H new ATOM 1483 N ASP A 87 13.576 4.363 -2.015 1.00 0.00 N ATOM 1484 CA ASP A 87 14.618 3.573 -1.367 1.00 0.00 C ATOM 1485 C ASP A 87 14.181 3.134 0.026 1.00 0.00 C ATOM 1486 O ASP A 87 14.361 1.976 0.411 1.00 0.00 O ATOM 1487 CB ASP A 87 15.915 4.380 -1.288 1.00 0.00 C ATOM 1488 CG ASP A 87 17.072 3.576 -0.735 1.00 0.00 C ATOM 1489 OD1 ASP A 87 17.397 2.518 -1.315 1.00 0.00 O ATOM 1490 OD2 ASP A 87 17.672 4.000 0.271 1.00 0.00 O ATOM 0 H ASP A 87 13.868 5.305 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 87 14.793 2.678 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.173 4.743 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.755 5.257 -0.660 1.00 0.00 H new ATOM 1495 N GLN A 88 13.587 4.060 0.770 1.00 0.00 N ATOM 1496 CA GLN A 88 13.078 3.754 2.097 1.00 0.00 C ATOM 1497 C GLN A 88 11.882 2.811 2.008 1.00 0.00 C ATOM 1498 O GLN A 88 11.765 1.879 2.803 1.00 0.00 O ATOM 1499 CB GLN A 88 12.680 5.033 2.834 1.00 0.00 C ATOM 1500 CG GLN A 88 12.115 4.779 4.224 1.00 0.00 C ATOM 1501 CD GLN A 88 13.123 4.140 5.163 1.00 0.00 C ATOM 1502 OE1 GLN A 88 13.880 4.830 5.845 1.00 0.00 O ATOM 1503 NE2 GLN A 88 13.134 2.817 5.209 1.00 0.00 N ATOM 0 H GLN A 88 13.447 5.027 0.475 1.00 0.00 H new ATOM 0 HA GLN A 88 13.873 3.263 2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.552 5.682 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.939 5.569 2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.776 5.723 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.241 4.133 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.490 2.281 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.787 2.334 5.826 1.00 0.00 H new ATOM 1512 N GLU A 89 11.005 3.063 1.036 1.00 0.00 N ATOM 1513 CA GLU A 89 9.823 2.228 0.811 1.00 0.00 C ATOM 1514 C GLU A 89 10.193 0.754 0.733 1.00 0.00 C ATOM 1515 O GLU A 89 9.701 -0.071 1.507 1.00 0.00 O ATOM 1516 CB GLU A 89 9.133 2.634 -0.491 1.00 0.00 C ATOM 1517 CG GLU A 89 8.405 3.958 -0.417 1.00 0.00 C ATOM 1518 CD GLU A 89 7.194 3.890 0.479 1.00 0.00 C ATOM 1519 OE1 GLU A 89 6.145 3.396 0.019 1.00 0.00 O ATOM 1520 OE2 GLU A 89 7.282 4.324 1.645 1.00 0.00 O ATOM 0 H GLU A 89 11.092 3.845 0.387 1.00 0.00 H new ATOM 0 HA GLU A 89 9.149 2.378 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.879 2.685 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.423 1.856 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.086 4.725 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.098 4.259 -1.419 1.00 0.00 H new ATOM 1527 N LEU A 90 11.079 0.438 -0.199 1.00 0.00 N ATOM 1528 CA LEU A 90 11.479 -0.936 -0.446 1.00 0.00 C ATOM 1529 C LEU A 90 12.175 -1.534 0.772 1.00 0.00 C ATOM 1530 O LEU A 90 11.938 -2.691 1.126 1.00 0.00 O ATOM 1531 CB LEU A 90 12.396 -1.003 -1.668 1.00 0.00 C ATOM 1532 CG LEU A 90 11.777 -0.493 -2.973 1.00 0.00 C ATOM 1533 CD1 LEU A 90 12.780 -0.587 -4.111 1.00 0.00 C ATOM 1534 CD2 LEU A 90 10.515 -1.274 -3.310 1.00 0.00 C ATOM 0 H LEU A 90 11.537 1.122 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 90 10.581 -1.523 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.296 -0.424 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.709 -2.037 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 90 11.506 0.554 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.323 -0.220 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.656 0.018 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.082 -1.626 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.091 -0.896 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.760 -2.330 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.789 -1.156 -2.506 1.00 0.00 H new ATOM 1546 N LYS A 91 12.999 -0.731 1.436 1.00 0.00 N ATOM 1547 CA LYS A 91 13.777 -1.207 2.572 1.00 0.00 C ATOM 1548 C LYS A 91 12.876 -1.486 3.771 1.00 0.00 C ATOM 1549 O LYS A 91 13.024 -2.503 4.451 1.00 0.00 O ATOM 1550 CB LYS A 91 14.852 -0.185 2.945 1.00 0.00 C ATOM 1551 CG LYS A 91 15.681 -0.581 4.155 1.00 0.00 C ATOM 1552 CD LYS A 91 16.777 0.432 4.433 1.00 0.00 C ATOM 1553 CE LYS A 91 17.546 0.090 5.699 1.00 0.00 C ATOM 1554 NZ LYS A 91 18.665 1.036 5.935 1.00 0.00 N ATOM 0 H LYS A 91 13.145 0.252 1.207 1.00 0.00 H new ATOM 0 HA LYS A 91 14.262 -2.140 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.516 -0.042 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.375 0.775 3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.034 -0.668 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.125 -1.562 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.464 0.467 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.339 1.426 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.868 0.108 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.937 -0.925 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.166 0.771 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.325 1.000 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.289 2.001 6.032 1.00 0.00 H new ATOM 1568 N GLU A 92 11.934 -0.584 4.012 1.00 0.00 N ATOM 1569 CA GLU A 92 11.029 -0.704 5.146 1.00 0.00 C ATOM 1570 C GLU A 92 10.116 -1.911 4.960 1.00 0.00 C ATOM 1571 O GLU A 92 9.814 -2.631 5.911 1.00 0.00 O ATOM 1572 CB GLU A 92 10.189 0.568 5.288 1.00 0.00 C ATOM 1573 CG GLU A 92 9.743 0.855 6.711 1.00 0.00 C ATOM 1574 CD GLU A 92 10.864 1.405 7.572 1.00 0.00 C ATOM 1575 OE1 GLU A 92 11.797 0.648 7.904 1.00 0.00 O ATOM 1576 OE2 GLU A 92 10.824 2.606 7.908 1.00 0.00 O ATOM 0 H GLU A 92 11.777 0.242 3.434 1.00 0.00 H new ATOM 0 HA GLU A 92 11.619 -0.841 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.767 1.416 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.308 0.483 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.919 1.569 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.361 -0.062 7.160 1.00 0.00 H new ATOM 1583 N PHE A 93 9.695 -2.131 3.719 1.00 0.00 N ATOM 1584 CA PHE A 93 8.803 -3.234 3.396 1.00 0.00 C ATOM 1585 C PHE A 93 9.531 -4.573 3.495 1.00 0.00 C ATOM 1586 O PHE A 93 8.957 -5.567 3.938 1.00 0.00 O ATOM 1587 CB PHE A 93 8.216 -3.045 1.995 1.00 0.00 C ATOM 1588 CG PHE A 93 7.166 -4.058 1.633 1.00 0.00 C ATOM 1589 CD1 PHE A 93 6.020 -4.190 2.402 1.00 0.00 C ATOM 1590 CD2 PHE A 93 7.319 -4.866 0.520 1.00 0.00 C ATOM 1591 CE1 PHE A 93 5.050 -5.115 2.071 1.00 0.00 C ATOM 1592 CE2 PHE A 93 6.352 -5.793 0.184 1.00 0.00 C ATOM 1593 CZ PHE A 93 5.215 -5.916 0.959 1.00 0.00 C ATOM 0 H PHE A 93 9.960 -1.556 2.919 1.00 0.00 H new ATOM 0 HA PHE A 93 7.989 -3.240 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.784 -2.047 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.023 -3.095 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.884 -3.562 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.204 -4.771 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.164 -5.212 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.485 -6.421 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.456 -6.638 0.695 1.00 0.00 H new ATOM 1603 N LYS A 94 10.800 -4.592 3.102 1.00 0.00 N ATOM 1604 CA LYS A 94 11.595 -5.818 3.151 1.00 0.00 C ATOM 1605 C LYS A 94 12.047 -6.136 4.574 1.00 0.00 C ATOM 1606 O LYS A 94 12.647 -7.180 4.827 1.00 0.00 O ATOM 1607 CB LYS A 94 12.806 -5.722 2.222 1.00 0.00 C ATOM 1608 CG LYS A 94 12.621 -6.469 0.911 1.00 0.00 C ATOM 1609 CD LYS A 94 13.825 -6.304 -0.002 1.00 0.00 C ATOM 1610 CE LYS A 94 13.789 -7.285 -1.167 1.00 0.00 C ATOM 1611 NZ LYS A 94 12.517 -7.210 -1.935 1.00 0.00 N ATOM 0 H LYS A 94 11.300 -3.777 2.747 1.00 0.00 H new ATOM 0 HA LYS A 94 10.956 -6.632 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.009 -4.673 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.682 -6.117 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.460 -7.528 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.728 -6.102 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.853 -5.284 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.740 -6.454 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.626 -7.082 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.922 -8.299 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.594 -7.795 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.735 -7.560 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.332 -6.223 -2.205 1.00 0.00 H new ATOM 1625 N ALA A 95 11.762 -5.229 5.496 1.00 0.00 N ATOM 1626 CA ALA A 95 12.050 -5.452 6.903 1.00 0.00 C ATOM 1627 C ALA A 95 10.767 -5.771 7.658 1.00 0.00 C ATOM 1628 O ALA A 95 10.754 -5.850 8.888 1.00 0.00 O ATOM 1629 CB ALA A 95 12.737 -4.237 7.505 1.00 0.00 C ATOM 0 H ALA A 95 11.330 -4.328 5.293 1.00 0.00 H new ATOM 0 HA ALA A 95 12.725 -6.304 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.945 -4.422 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.672 -4.050 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.087 -3.367 7.411 1.00 0.00 H new ATOM 1635 N GLY A 96 9.689 -5.961 6.908 1.00 0.00 N ATOM 1636 CA GLY A 96 8.406 -6.240 7.512 1.00 0.00 C ATOM 1637 C GLY A 96 7.629 -4.970 7.785 1.00 0.00 C ATOM 1638 O GLY A 96 7.641 -4.454 8.902 1.00 0.00 O ATOM 0 H GLY A 96 9.683 -5.926 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.826 -6.887 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.553 -6.784 8.445 1.00 0.00 H new ATOM 1642 N PHE A 97 6.955 -4.466 6.764 1.00 0.00 N ATOM 1643 CA PHE A 97 6.202 -3.227 6.885 1.00 0.00 C ATOM 1644 C PHE A 97 4.815 -3.513 7.448 1.00 0.00 C ATOM 1645 O PHE A 97 4.228 -4.560 7.166 1.00 0.00 O ATOM 1646 CB PHE A 97 6.095 -2.536 5.521 1.00 0.00 C ATOM 1647 CG PHE A 97 5.501 -1.156 5.575 1.00 0.00 C ATOM 1648 CD1 PHE A 97 6.262 -0.079 6.001 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.188 -0.936 5.196 1.00 0.00 C ATOM 1650 CE1 PHE A 97 5.722 1.193 6.047 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.643 0.332 5.241 1.00 0.00 C ATOM 1652 CZ PHE A 97 4.410 1.398 5.667 1.00 0.00 C ATOM 0 H PHE A 97 6.914 -4.896 5.840 1.00 0.00 H new ATOM 0 HA PHE A 97 6.726 -2.560 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.089 -2.475 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.489 -3.155 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.288 -0.235 6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.583 -1.766 4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.325 2.025 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.617 0.490 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.985 2.390 5.703 1.00 0.00 H new ATOM 1662 N LEU A 98 4.305 -2.584 8.245 1.00 0.00 N ATOM 1663 CA LEU A 98 3.001 -2.740 8.878 1.00 0.00 C ATOM 1664 C LEU A 98 1.887 -2.646 7.838 1.00 0.00 C ATOM 1665 O LEU A 98 1.530 -1.558 7.391 1.00 0.00 O ATOM 1666 CB LEU A 98 2.812 -1.674 9.960 1.00 0.00 C ATOM 1667 CG LEU A 98 1.592 -1.864 10.866 1.00 0.00 C ATOM 1668 CD1 LEU A 98 1.732 -3.136 11.689 1.00 0.00 C ATOM 1669 CD2 LEU A 98 1.415 -0.656 11.775 1.00 0.00 C ATOM 0 H LEU A 98 4.778 -1.709 8.470 1.00 0.00 H new ATOM 0 HA LEU A 98 2.954 -3.725 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.706 -1.651 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.736 -0.700 9.477 1.00 0.00 H new ATOM 0 HG LEU A 98 0.706 -1.958 10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.856 -3.255 12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.814 -3.994 11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.626 -3.072 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.544 -0.805 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.303 -0.534 12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.271 0.238 11.168 1.00 0.00 H new ATOM 1681 N CYS A 99 1.361 -3.796 7.449 1.00 0.00 N ATOM 1682 CA CYS A 99 0.322 -3.865 6.436 1.00 0.00 C ATOM 1683 C CYS A 99 -0.857 -4.684 6.950 1.00 0.00 C ATOM 1684 O CYS A 99 -0.674 -5.619 7.733 1.00 0.00 O ATOM 1685 CB CYS A 99 0.872 -4.507 5.157 1.00 0.00 C ATOM 1686 SG CYS A 99 2.409 -3.770 4.559 1.00 0.00 S ATOM 0 H CYS A 99 1.640 -4.702 7.824 1.00 0.00 H new ATOM 0 HA CYS A 99 -0.013 -2.852 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.038 -5.569 5.340 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.118 -4.433 4.374 1.00 0.00 H new ATOM 0 HG CYS A 99 3.383 -4.089 5.359 1.00 0.00 H new ATOM 1692 N PRO A 100 -2.082 -4.338 6.538 1.00 0.00 N ATOM 1693 CA PRO A 100 -3.265 -5.114 6.895 1.00 0.00 C ATOM 1694 C PRO A 100 -3.281 -6.462 6.183 1.00 0.00 C ATOM 1695 O PRO A 100 -2.954 -6.546 4.996 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.433 -4.241 6.431 1.00 0.00 C ATOM 1697 CG PRO A 100 -3.867 -3.358 5.372 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.408 -3.174 5.693 1.00 0.00 C ATOM 0 HA PRO A 100 -3.304 -5.343 7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.249 -4.850 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.839 -3.656 7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.992 -3.807 4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.383 -2.398 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.799 -3.153 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.230 -2.236 6.219 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.637 -7.514 6.909 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.691 -8.850 6.331 1.00 0.00 C ATOM 1708 C ASP A 101 -4.789 -8.945 5.281 1.00 0.00 C ATOM 1709 O ASP A 101 -5.979 -9.024 5.607 1.00 0.00 O ATOM 1710 CB ASP A 101 -3.913 -9.911 7.410 1.00 0.00 C ATOM 1711 CG ASP A 101 -4.077 -11.298 6.817 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -3.101 -11.818 6.235 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -5.178 -11.875 6.933 1.00 0.00 O ATOM 0 H ASP A 101 -3.892 -7.468 7.896 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.729 -9.037 5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.069 -9.909 8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.800 -9.658 7.991 1.00 0.00 H new ATOM 1718 N LEU A 102 -4.388 -8.897 4.022 1.00 0.00 N ATOM 1719 CA LEU A 102 -5.323 -9.071 2.927 1.00 0.00 C ATOM 1720 C LEU A 102 -5.608 -10.550 2.726 1.00 0.00 C ATOM 1721 O LEU A 102 -4.883 -11.243 2.010 1.00 0.00 O ATOM 1722 CB LEU A 102 -4.781 -8.455 1.633 1.00 0.00 C ATOM 1723 CG LEU A 102 -4.498 -6.951 1.689 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -4.020 -6.451 0.335 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -5.736 -6.184 2.134 1.00 0.00 C ATOM 0 H LEU A 102 -3.422 -8.739 3.734 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.249 -8.555 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.860 -8.971 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.497 -8.643 0.833 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.709 -6.778 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.823 -5.380 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.105 -6.974 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.789 -6.640 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.511 -5.118 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.548 -6.363 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.036 -6.522 3.126 1.00 0.00 H new ATOM 1737 N SER A 103 -6.636 -11.027 3.416 1.00 0.00 N ATOM 1738 CA SER A 103 -7.063 -12.414 3.326 1.00 0.00 C ATOM 1739 C SER A 103 -8.295 -12.620 4.206 1.00 0.00 C ATOM 1740 O SER A 103 -9.292 -13.203 3.776 1.00 0.00 O ATOM 1741 CB SER A 103 -5.928 -13.355 3.765 1.00 0.00 C ATOM 1742 OG SER A 103 -6.198 -14.705 3.417 1.00 0.00 O ATOM 0 H SER A 103 -7.196 -10.462 4.054 1.00 0.00 H new ATOM 0 HA SER A 103 -7.315 -12.646 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.994 -13.040 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.789 -13.278 4.843 1.00 0.00 H new ATOM 0 HG SER A 103 -5.455 -15.273 3.710 1.00 0.00 H new ATOM 1748 N ASP A 104 -8.226 -12.118 5.437 1.00 0.00 N ATOM 1749 CA ASP A 104 -9.342 -12.220 6.375 1.00 0.00 C ATOM 1750 C ASP A 104 -10.507 -11.342 5.923 1.00 0.00 C ATOM 1751 O ASP A 104 -10.318 -10.176 5.564 1.00 0.00 O ATOM 1752 CB ASP A 104 -8.895 -11.813 7.781 1.00 0.00 C ATOM 1753 CG ASP A 104 -9.946 -12.112 8.832 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -10.946 -11.374 8.911 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -9.773 -13.095 9.586 1.00 0.00 O ATOM 0 H ASP A 104 -7.408 -11.636 5.809 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.676 -13.257 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.974 -12.339 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.667 -10.747 7.792 1.00 0.00 H new ATOM 1760 N ALA A 105 -11.712 -11.903 5.955 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.896 -11.209 5.461 1.00 0.00 C ATOM 1762 C ALA A 105 -13.355 -10.109 6.412 1.00 0.00 C ATOM 1763 O ALA A 105 -13.763 -9.034 5.968 1.00 0.00 O ATOM 1764 CB ALA A 105 -14.025 -12.197 5.212 1.00 0.00 C ATOM 0 H ALA A 105 -11.894 -12.838 6.319 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.623 -10.733 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.901 -11.663 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.709 -12.931 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.275 -12.706 6.143 1.00 0.00 H new ATOM 1770 N LYS A 106 -13.280 -10.364 7.712 1.00 0.00 N ATOM 1771 CA LYS A 106 -13.684 -9.368 8.696 1.00 0.00 C ATOM 1772 C LYS A 106 -12.737 -8.186 8.647 1.00 0.00 C ATOM 1773 O LYS A 106 -13.154 -7.035 8.789 1.00 0.00 O ATOM 1774 CB LYS A 106 -13.707 -9.953 10.108 1.00 0.00 C ATOM 1775 CG LYS A 106 -14.810 -10.968 10.334 1.00 0.00 C ATOM 1776 CD LYS A 106 -14.909 -11.353 11.799 1.00 0.00 C ATOM 1777 CE LYS A 106 -16.060 -12.312 12.048 1.00 0.00 C ATOM 1778 NZ LYS A 106 -17.351 -11.779 11.533 1.00 0.00 N ATOM 0 H LYS A 106 -12.946 -11.243 8.107 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.695 -9.042 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.745 -10.425 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.822 -9.141 10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.762 -10.556 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.618 -11.857 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.975 -11.814 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.045 -10.456 12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.846 -13.268 11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.148 -12.503 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.122 -12.058 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.302 -10.741 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.532 -12.165 10.584 1.00 0.00 H new ATOM 1792 N ASN A 107 -11.462 -8.482 8.435 1.00 0.00 N ATOM 1793 CA ASN A 107 -10.450 -7.445 8.296 1.00 0.00 C ATOM 1794 C ASN A 107 -10.735 -6.596 7.062 1.00 0.00 C ATOM 1795 O ASN A 107 -10.608 -5.377 7.096 1.00 0.00 O ATOM 1796 CB ASN A 107 -9.052 -8.060 8.186 1.00 0.00 C ATOM 1797 CG ASN A 107 -7.954 -7.015 8.282 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -8.073 -6.033 9.014 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -6.880 -7.212 7.535 1.00 0.00 N ATOM 0 H ASN A 107 -11.104 -9.434 8.355 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.485 -6.815 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.919 -8.798 8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.964 -8.590 7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.115 -6.538 7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.817 -8.038 6.940 1.00 0.00 H new ATOM 1806 N MET A 108 -11.144 -7.254 5.980 1.00 0.00 N ATOM 1807 CA MET A 108 -11.441 -6.567 4.728 1.00 0.00 C ATOM 1808 C MET A 108 -12.680 -5.684 4.858 1.00 0.00 C ATOM 1809 O MET A 108 -12.685 -4.540 4.405 1.00 0.00 O ATOM 1810 CB MET A 108 -11.621 -7.572 3.586 1.00 0.00 C ATOM 1811 CG MET A 108 -12.020 -6.924 2.268 1.00 0.00 C ATOM 1812 SD MET A 108 -10.895 -5.603 1.768 1.00 0.00 S ATOM 1813 CE MET A 108 -9.371 -6.507 1.516 1.00 0.00 C ATOM 0 H MET A 108 -11.277 -8.265 5.946 1.00 0.00 H new ATOM 0 HA MET A 108 -10.592 -5.924 4.496 1.00 0.00 H new ATOM 0 HB2 MET A 108 -10.690 -8.121 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 108 -12.381 -8.300 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 108 -12.048 -7.685 1.488 1.00 0.00 H new ATOM 0 HG3 MET A 108 -13.029 -6.521 2.357 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.762 -5.993 0.773 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.823 -6.566 2.457 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.599 -7.513 1.165 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.729 -6.203 5.486 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.945 -5.422 5.665 1.00 0.00 C ATOM 1825 C GLU A 109 -14.691 -4.259 6.621 1.00 0.00 C ATOM 1826 O GLU A 109 -15.230 -3.169 6.443 1.00 0.00 O ATOM 1827 CB GLU A 109 -16.098 -6.290 6.173 1.00 0.00 C ATOM 1828 CG GLU A 109 -17.413 -5.529 6.251 1.00 0.00 C ATOM 1829 CD GLU A 109 -18.583 -6.394 6.659 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -18.767 -6.618 7.871 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -19.345 -6.828 5.767 1.00 0.00 O ATOM 0 H GLU A 109 -13.762 -7.146 5.874 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.234 -5.024 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -16.219 -7.150 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.848 -6.678 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -17.309 -4.711 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.623 -5.081 5.280 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.848 -4.487 7.620 1.00 0.00 N ATOM 1839 CA PHE A 110 -13.479 -3.433 8.553 1.00 0.00 C ATOM 1840 C PHE A 110 -12.600 -2.404 7.842 1.00 0.00 C ATOM 1841 O PHE A 110 -12.661 -1.210 8.132 1.00 0.00 O ATOM 1842 CB PHE A 110 -12.748 -4.020 9.763 1.00 0.00 C ATOM 1843 CG PHE A 110 -13.150 -3.396 11.068 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -12.506 -2.265 11.542 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -14.177 -3.944 11.821 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -12.879 -1.692 12.744 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -14.553 -3.375 13.023 1.00 0.00 C ATOM 1848 CZ PHE A 110 -13.903 -2.249 13.485 1.00 0.00 C ATOM 0 H PHE A 110 -13.409 -5.389 7.804 1.00 0.00 H new ATOM 0 HA PHE A 110 -14.384 -2.941 8.910 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -12.940 -5.092 9.808 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.674 -3.894 9.625 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -11.704 -1.826 10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -14.689 -4.825 11.464 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.370 -0.810 13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -15.355 -3.811 13.600 1.00 0.00 H new ATOM 0 HZ PHE A 110 -14.195 -1.804 14.425 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.793 -2.888 6.901 1.00 0.00 N ATOM 1859 CA LEU A 111 -10.974 -2.032 6.043 1.00 0.00 C ATOM 1860 C LEU A 111 -11.871 -1.164 5.163 1.00 0.00 C ATOM 1861 O LEU A 111 -11.541 -0.024 4.838 1.00 0.00 O ATOM 1862 CB LEU A 111 -10.037 -2.910 5.196 1.00 0.00 C ATOM 1863 CG LEU A 111 -9.191 -2.191 4.140 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.788 -2.775 4.104 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.834 -2.311 2.768 1.00 0.00 C ATOM 0 H LEU A 111 -11.688 -3.885 6.711 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.365 -1.367 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.363 -3.438 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.641 -3.665 4.693 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.132 -1.136 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.197 -2.256 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.318 -2.654 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.841 -3.835 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.219 -1.794 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.918 -3.363 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.827 -1.862 2.791 1.00 0.00 H new ATOM 1877 N ARG A 112 -13.016 -1.717 4.794 1.00 0.00 N ATOM 1878 CA ARG A 112 -14.026 -0.982 4.051 1.00 0.00 C ATOM 1879 C ARG A 112 -14.622 0.135 4.913 1.00 0.00 C ATOM 1880 O ARG A 112 -14.954 1.213 4.413 1.00 0.00 O ATOM 1881 CB ARG A 112 -15.124 -1.945 3.588 1.00 0.00 C ATOM 1882 CG ARG A 112 -16.351 -1.261 3.016 1.00 0.00 C ATOM 1883 CD ARG A 112 -17.435 -2.269 2.678 1.00 0.00 C ATOM 1884 NE ARG A 112 -18.696 -1.620 2.337 1.00 0.00 N ATOM 1885 CZ ARG A 112 -19.890 -2.088 2.691 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -19.987 -3.219 3.378 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -20.987 -1.428 2.356 1.00 0.00 N ATOM 0 H ARG A 112 -13.270 -2.683 5.000 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.561 -0.524 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.710 -2.614 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.428 -2.565 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -16.735 -0.537 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -16.076 -0.705 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -17.108 -2.887 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -17.588 -2.936 3.527 1.00 0.00 H new ATOM 0 HE ARG A 112 -18.660 -0.757 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -19.144 -3.733 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -20.904 -3.575 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -20.918 -0.559 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -21.902 -1.788 2.628 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.728 -0.122 6.212 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.312 0.839 7.148 1.00 0.00 C ATOM 1903 C ASN A 113 -14.245 1.788 7.694 1.00 0.00 C ATOM 1904 O ASN A 113 -14.505 2.559 8.619 1.00 0.00 O ATOM 1905 CB ASN A 113 -15.978 0.119 8.330 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.049 -0.878 7.918 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -17.689 -0.734 6.877 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -17.258 -1.889 8.748 1.00 0.00 N ATOM 0 H ASN A 113 -14.416 -0.991 6.645 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.061 1.409 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.212 -0.402 8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.422 0.862 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.972 -2.585 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.705 -1.971 9.601 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.049 1.721 7.126 1.00 0.00 N ATOM 1916 CA TRP A 114 -11.924 2.521 7.600 1.00 0.00 C ATOM 1917 C TRP A 114 -12.112 4.001 7.262 1.00 0.00 C ATOM 1918 O TRP A 114 -12.453 4.358 6.132 1.00 0.00 O ATOM 1919 CB TRP A 114 -10.617 1.996 6.994 1.00 0.00 C ATOM 1920 CG TRP A 114 -9.387 2.706 7.476 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -8.783 2.566 8.692 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -8.605 3.654 6.744 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -7.674 3.373 8.761 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -7.545 4.053 7.580 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -8.700 4.209 5.465 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -6.586 4.975 7.176 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -7.748 5.128 5.067 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -6.703 5.503 5.919 1.00 0.00 C ATOM 0 H TRP A 114 -12.830 1.118 6.333 1.00 0.00 H new ATOM 0 HA TRP A 114 -11.876 2.432 8.685 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -10.524 0.935 7.224 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -10.672 2.084 5.909 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.127 1.916 9.483 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -7.048 3.453 9.562 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -9.502 3.925 4.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -5.777 5.264 7.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.811 5.565 4.081 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -5.974 6.223 5.578 1.00 0.00 H new ATOM 1939 N ASN A 115 -11.901 4.846 8.263 1.00 0.00 N ATOM 1940 CA ASN A 115 -11.973 6.293 8.100 1.00 0.00 C ATOM 1941 C ASN A 115 -10.589 6.891 8.284 1.00 0.00 C ATOM 1942 O ASN A 115 -9.623 6.166 8.518 1.00 0.00 O ATOM 1943 CB ASN A 115 -12.918 6.910 9.137 1.00 0.00 C ATOM 1944 CG ASN A 115 -14.361 6.482 8.978 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -14.838 6.235 7.869 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -15.067 6.395 10.094 1.00 0.00 N ATOM 0 H ASN A 115 -11.675 4.548 9.212 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.351 6.509 7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -12.575 6.637 10.135 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -12.861 7.996 9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -16.047 6.114 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -14.631 6.609 10.991 1.00 0.00 H new ATOM 1953 N GLY A 116 -10.496 8.208 8.204 1.00 0.00 N ATOM 1954 CA GLY A 116 -9.237 8.880 8.471 1.00 0.00 C ATOM 1955 C GLY A 116 -8.934 8.932 9.957 1.00 0.00 C ATOM 1956 O GLY A 116 -8.897 10.004 10.558 1.00 0.00 O ATOM 0 H GLY A 116 -11.269 8.827 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.430 8.361 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.273 9.893 8.071 1.00 0.00 H new ATOM 1960 N THR A 117 -8.735 7.766 10.554 1.00 0.00 N ATOM 1961 CA THR A 117 -8.481 7.664 11.978 1.00 0.00 C ATOM 1962 C THR A 117 -7.336 6.690 12.252 1.00 0.00 C ATOM 1963 O THR A 117 -7.395 5.525 11.855 1.00 0.00 O ATOM 1964 CB THR A 117 -9.746 7.194 12.722 1.00 0.00 C ATOM 1965 OG1 THR A 117 -10.863 8.005 12.335 1.00 0.00 O ATOM 1966 CG2 THR A 117 -9.557 7.275 14.230 1.00 0.00 C ATOM 0 H THR A 117 -8.745 6.871 10.066 1.00 0.00 H new ATOM 0 HA THR A 117 -8.201 8.653 12.341 1.00 0.00 H new ATOM 0 HB THR A 117 -9.933 6.154 12.454 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.666 7.703 12.808 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.465 6.937 14.729 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.722 6.640 14.527 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.348 8.306 14.516 1.00 0.00 H new ATOM 1974 N PHE A 118 -6.302 7.174 12.932 1.00 0.00 N ATOM 1975 CA PHE A 118 -5.126 6.361 13.238 1.00 0.00 C ATOM 1976 C PHE A 118 -5.480 5.196 14.163 1.00 0.00 C ATOM 1977 O PHE A 118 -4.906 4.112 14.058 1.00 0.00 O ATOM 1978 CB PHE A 118 -4.040 7.222 13.891 1.00 0.00 C ATOM 1979 CG PHE A 118 -3.563 8.361 13.032 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -2.520 8.181 12.137 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -4.155 9.611 13.125 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -2.077 9.227 11.352 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -3.715 10.661 12.339 1.00 0.00 C ATOM 1984 CZ PHE A 118 -2.675 10.468 11.452 1.00 0.00 C ATOM 0 H PHE A 118 -6.253 8.130 13.284 1.00 0.00 H new ATOM 0 HA PHE A 118 -4.752 5.954 12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.424 7.624 14.829 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -3.189 6.588 14.141 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -2.049 7.213 12.053 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.968 9.767 13.818 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.262 9.075 10.659 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -4.184 11.630 12.419 1.00 0.00 H new ATOM 0 HZ PHE A 118 -2.330 11.286 10.837 1.00 0.00 H new ATOM 1994 N GLY A 119 -6.440 5.423 15.053 1.00 0.00 N ATOM 1995 CA GLY A 119 -6.831 4.403 16.012 1.00 0.00 C ATOM 1996 C GLY A 119 -7.460 3.184 15.360 1.00 0.00 C ATOM 1997 O GLY A 119 -7.447 2.093 15.928 1.00 0.00 O ATOM 0 H GLY A 119 -6.957 6.299 15.128 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.955 4.092 16.581 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.537 4.832 16.723 1.00 0.00 H new ATOM 2001 N LEU A 120 -7.990 3.359 14.155 1.00 0.00 N ATOM 2002 CA LEU A 120 -8.659 2.271 13.451 1.00 0.00 C ATOM 2003 C LEU A 120 -7.622 1.284 12.912 1.00 0.00 C ATOM 2004 O LEU A 120 -7.938 0.154 12.548 1.00 0.00 O ATOM 2005 CB LEU A 120 -9.522 2.841 12.317 1.00 0.00 C ATOM 2006 CG LEU A 120 -10.852 2.116 12.059 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -11.765 2.979 11.213 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -10.628 0.780 11.370 1.00 0.00 C ATOM 0 H LEU A 120 -7.970 4.242 13.646 1.00 0.00 H new ATOM 0 HA LEU A 120 -9.311 1.735 14.141 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.737 3.886 12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.937 2.825 11.397 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.321 1.930 13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.704 2.453 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.965 3.916 11.733 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.284 3.190 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.588 0.292 11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.131 0.943 10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.004 0.146 12.000 1.00 0.00 H new ATOM 2020 N LEU A 121 -6.368 1.706 12.907 1.00 0.00 N ATOM 2021 CA LEU A 121 -5.281 0.856 12.441 1.00 0.00 C ATOM 2022 C LEU A 121 -4.898 -0.152 13.518 1.00 0.00 C ATOM 2023 O LEU A 121 -4.091 -1.051 13.285 1.00 0.00 O ATOM 2024 CB LEU A 121 -4.069 1.703 12.045 1.00 0.00 C ATOM 2025 CG LEU A 121 -4.302 2.652 10.866 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -3.074 3.515 10.626 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -4.655 1.867 9.612 1.00 0.00 C ATOM 0 H LEU A 121 -6.076 2.632 13.220 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.621 0.311 11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.757 2.290 12.909 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.243 1.036 11.798 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.139 3.306 11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.258 4.183 9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.864 4.105 11.518 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.219 2.877 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.817 2.557 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.838 1.190 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.563 1.291 9.787 1.00 0.00 H new ATOM 2039 N ASN A 122 -5.480 0.013 14.701 1.00 0.00 N ATOM 2040 CA ASN A 122 -5.265 -0.921 15.797 1.00 0.00 C ATOM 2041 C ASN A 122 -6.421 -1.911 15.870 1.00 0.00 C ATOM 2042 O ASN A 122 -6.290 -2.999 16.434 1.00 0.00 O ATOM 2043 CB ASN A 122 -5.121 -0.175 17.129 1.00 0.00 C ATOM 2044 CG ASN A 122 -3.905 0.733 17.160 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -2.902 0.473 16.496 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -3.979 1.802 17.938 1.00 0.00 N ATOM 0 H ASN A 122 -6.105 0.787 14.924 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.340 -1.466 15.610 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.018 0.418 17.308 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.050 -0.899 17.941 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.188 2.442 18.001 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.827 1.985 18.474 1.00 0.00 H new ATOM 2053 N THR A 123 -7.554 -1.524 15.293 1.00 0.00 N ATOM 2054 CA THR A 123 -8.715 -2.397 15.234 1.00 0.00 C ATOM 2055 C THR A 123 -8.640 -3.281 13.993 1.00 0.00 C ATOM 2056 O THR A 123 -9.157 -4.399 13.971 1.00 0.00 O ATOM 2057 CB THR A 123 -10.025 -1.584 15.232 1.00 0.00 C ATOM 2058 OG1 THR A 123 -10.036 -0.671 14.132 1.00 0.00 O ATOM 2059 CG2 THR A 123 -10.175 -0.801 16.527 1.00 0.00 C ATOM 0 H THR A 123 -7.690 -0.611 14.860 1.00 0.00 H new ATOM 0 HA THR A 123 -8.713 -3.027 16.124 1.00 0.00 H new ATOM 0 HB THR A 123 -10.856 -2.284 15.139 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.155 -0.666 13.702 1.00 0.00 H new ATOM 0 HG21 THR A 123 -11.106 -0.235 16.504 1.00 0.00 H new ATOM 0 HG22 THR A 123 -10.191 -1.492 17.370 1.00 0.00 H new ATOM 0 HG23 THR A 123 -9.335 -0.115 16.636 1.00 0.00 H new ATOM 2067 N LEU A 124 -7.990 -2.761 12.956 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.693 -3.544 11.766 1.00 0.00 C ATOM 2069 C LEU A 124 -6.574 -4.527 12.069 1.00 0.00 C ATOM 2070 O LEU A 124 -5.773 -4.304 12.977 1.00 0.00 O ATOM 2071 CB LEU A 124 -7.265 -2.636 10.611 1.00 0.00 C ATOM 2072 CG LEU A 124 -8.364 -1.765 10.007 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.778 -0.834 8.957 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -9.448 -2.633 9.397 1.00 0.00 C ATOM 0 H LEU A 124 -7.659 -1.797 12.918 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.595 -4.082 11.475 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.464 -1.985 10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.846 -3.259 9.821 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.808 -1.162 10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.571 -0.218 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.027 -0.192 9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.315 -1.424 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.225 -1.999 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.017 -3.256 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.882 -3.269 10.169 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.507 -5.609 11.314 1.00 0.00 N ATOM 2087 CA ARG A 125 -5.450 -6.581 11.519 1.00 0.00 C ATOM 2088 C ARG A 125 -4.220 -6.191 10.709 1.00 0.00 C ATOM 2089 O ARG A 125 -4.012 -6.673 9.594 1.00 0.00 O ATOM 2090 CB ARG A 125 -5.915 -7.992 11.151 1.00 0.00 C ATOM 2091 CG ARG A 125 -4.913 -9.070 11.529 1.00 0.00 C ATOM 2092 CD ARG A 125 -5.463 -10.461 11.275 1.00 0.00 C ATOM 2093 NE ARG A 125 -4.560 -11.499 11.772 1.00 0.00 N ATOM 2094 CZ ARG A 125 -4.848 -12.311 12.788 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -6.021 -12.228 13.400 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -3.968 -13.217 13.185 1.00 0.00 N ATOM 0 H ARG A 125 -7.161 -5.834 10.565 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.189 -6.586 12.577 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.863 -8.196 11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -6.101 -8.038 10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.996 -8.931 10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.650 -8.969 12.582 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.435 -10.562 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.623 -10.599 10.206 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.656 -11.608 11.313 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -6.709 -11.540 13.093 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.236 -12.852 14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.067 -13.294 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.191 -13.838 13.963 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.446 -5.269 11.259 1.00 0.00 N ATOM 2111 CA LEU A 126 -2.195 -4.861 10.646 1.00 0.00 C ATOM 2112 C LEU A 126 -1.042 -5.646 11.240 1.00 0.00 C ATOM 2113 O LEU A 126 -0.827 -5.649 12.452 1.00 0.00 O ATOM 2114 CB LEU A 126 -1.951 -3.355 10.818 1.00 0.00 C ATOM 2115 CG LEU A 126 -2.493 -2.463 9.693 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -4.010 -2.496 9.650 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -1.995 -1.033 9.859 1.00 0.00 C ATOM 0 H LEU A 126 -3.664 -4.788 12.132 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.261 -5.071 9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.401 -3.037 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.878 -3.187 10.906 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.121 -2.854 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.365 -1.855 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.347 -3.518 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.409 -2.139 10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.389 -0.415 9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.333 -0.639 10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.906 -1.021 9.826 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.315 -6.323 10.377 1.00 0.00 N ATOM 2130 CA ILE A 127 0.825 -7.120 10.783 1.00 0.00 C ATOM 2131 C ILE A 127 2.059 -6.651 10.034 1.00 0.00 C ATOM 2132 O ILE A 127 1.979 -5.739 9.215 1.00 0.00 O ATOM 2133 CB ILE A 127 0.592 -8.623 10.506 1.00 0.00 C ATOM 2134 CG1 ILE A 127 0.197 -8.842 9.039 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.475 -9.177 11.442 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.028 -10.295 8.676 1.00 0.00 C ATOM 0 H ILE A 127 -0.497 -6.337 9.373 1.00 0.00 H new ATOM 0 HA ILE A 127 0.965 -6.993 11.856 1.00 0.00 H new ATOM 0 HB ILE A 127 1.522 -9.160 10.693 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.713 -8.280 8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.978 -8.434 8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.627 -10.236 11.234 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.152 -9.053 12.476 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.410 -8.639 11.287 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.304 -10.369 7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.888 -10.860 8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.830 -10.704 9.291 1.00 0.00 H new ATOM 2148 N ARG A 128 3.193 -7.262 10.302 1.00 0.00 N ATOM 2149 CA ARG A 128 4.406 -6.915 9.590 1.00 0.00 C ATOM 2150 C ARG A 128 4.625 -7.883 8.443 1.00 0.00 C ATOM 2151 O ARG A 128 4.844 -9.078 8.646 1.00 0.00 O ATOM 2152 CB ARG A 128 5.603 -6.885 10.541 1.00 0.00 C ATOM 2153 CG ARG A 128 5.705 -5.575 11.308 1.00 0.00 C ATOM 2154 CD ARG A 128 6.708 -5.657 12.442 1.00 0.00 C ATOM 2155 NE ARG A 128 6.189 -6.419 13.577 1.00 0.00 N ATOM 2156 CZ ARG A 128 6.916 -6.760 14.636 1.00 0.00 C ATOM 2157 NH1 ARG A 128 8.198 -6.430 14.696 1.00 0.00 N ATOM 2158 NH2 ARG A 128 6.359 -7.425 15.640 1.00 0.00 N ATOM 0 H ARG A 128 3.301 -7.996 11.002 1.00 0.00 H new ATOM 0 HA ARG A 128 4.301 -5.913 9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.522 -7.711 11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.519 -7.041 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.995 -4.777 10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.726 -5.312 11.708 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.625 -6.122 12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.968 -4.650 12.769 1.00 0.00 H new ATOM 0 HE ARG A 128 5.210 -6.706 13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.628 -5.914 13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.755 -6.692 15.509 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.371 -7.675 15.600 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.919 -7.686 16.452 1.00 0.00 H new ATOM 2172 N ILE A 129 4.529 -7.355 7.236 1.00 0.00 N ATOM 2173 CA ILE A 129 4.559 -8.156 6.027 1.00 0.00 C ATOM 2174 C ILE A 129 5.837 -7.910 5.233 1.00 0.00 C ATOM 2175 O ILE A 129 6.268 -6.767 5.074 1.00 0.00 O ATOM 2176 CB ILE A 129 3.326 -7.844 5.151 1.00 0.00 C ATOM 2177 CG1 ILE A 129 2.058 -8.389 5.819 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.486 -8.403 3.747 1.00 0.00 C ATOM 2179 CD1 ILE A 129 0.784 -8.119 5.044 1.00 0.00 C ATOM 0 H ILE A 129 4.428 -6.354 7.067 1.00 0.00 H new ATOM 0 HA ILE A 129 4.537 -9.206 6.319 1.00 0.00 H new ATOM 0 HB ILE A 129 3.236 -6.762 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.166 -9.465 5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.966 -7.949 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.600 -8.165 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.364 -7.960 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.608 -9.485 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.066 -8.536 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.649 -7.043 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.852 -8.583 4.060 1.00 0.00 H new ATOM 2191 N ASN A 130 6.438 -8.990 4.753 1.00 0.00 N ATOM 2192 CA ASN A 130 7.657 -8.906 3.965 1.00 0.00 C ATOM 2193 C ASN A 130 7.439 -9.464 2.559 1.00 0.00 C ATOM 2194 O ASN A 130 6.979 -10.599 2.390 1.00 0.00 O ATOM 2195 CB ASN A 130 8.791 -9.664 4.662 1.00 0.00 C ATOM 2196 CG ASN A 130 10.096 -9.602 3.888 1.00 0.00 C ATOM 2197 OD1 ASN A 130 10.357 -8.648 3.161 1.00 0.00 O ATOM 2198 ND2 ASN A 130 10.932 -10.616 4.055 1.00 0.00 N ATOM 0 H ASN A 130 6.097 -9.940 4.898 1.00 0.00 H new ATOM 0 HA ASN A 130 7.933 -7.855 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.943 -9.248 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.500 -10.706 4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.830 -10.622 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.678 -11.391 4.668 1.00 0.00 H new ATOM 2205 N ASP A 131 7.760 -8.637 1.568 1.00 0.00 N ATOM 2206 CA ASP A 131 7.699 -9.002 0.147 1.00 0.00 C ATOM 2207 C ASP A 131 6.324 -9.513 -0.291 1.00 0.00 C ATOM 2208 O ASP A 131 5.390 -8.736 -0.468 1.00 0.00 O ATOM 2209 CB ASP A 131 8.780 -10.030 -0.220 1.00 0.00 C ATOM 2210 CG ASP A 131 10.167 -9.424 -0.330 1.00 0.00 C ATOM 2211 OD1 ASP A 131 10.352 -8.485 -1.134 1.00 0.00 O ATOM 2212 OD2 ASP A 131 11.086 -9.908 0.362 1.00 0.00 O ATOM 0 H ASP A 131 8.075 -7.680 1.727 1.00 0.00 H new ATOM 0 HA ASP A 131 7.887 -8.076 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 131 8.793 -10.818 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 131 8.519 -10.499 -1.169 1.00 0.00 H new ATOM 2217 N LYS A 132 6.197 -10.828 -0.431 1.00 0.00 N ATOM 2218 CA LYS A 132 5.035 -11.433 -1.087 1.00 0.00 C ATOM 2219 C LYS A 132 3.870 -11.655 -0.123 1.00 0.00 C ATOM 2220 O LYS A 132 3.171 -12.664 -0.203 1.00 0.00 O ATOM 2221 CB LYS A 132 5.453 -12.765 -1.720 1.00 0.00 C ATOM 2222 CG LYS A 132 5.984 -13.777 -0.712 1.00 0.00 C ATOM 2223 CD LYS A 132 6.435 -15.059 -1.389 1.00 0.00 C ATOM 2224 CE LYS A 132 6.812 -16.126 -0.373 1.00 0.00 C ATOM 2225 NZ LYS A 132 7.950 -15.709 0.490 1.00 0.00 N ATOM 0 H LYS A 132 6.887 -11.502 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 132 4.686 -10.741 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.597 -13.196 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 132 6.219 -12.576 -2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 132 6.820 -13.341 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 132 5.208 -14.005 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.637 -15.433 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 132 7.290 -14.850 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.948 -16.350 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 132 7.074 -17.046 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.705 -16.422 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.316 -14.792 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.625 -15.621 1.474 1.00 0.00 H new ATOM 2239 N GLY A 133 3.638 -10.699 0.760 1.00 0.00 N ATOM 2240 CA GLY A 133 2.562 -10.842 1.718 1.00 0.00 C ATOM 2241 C GLY A 133 2.891 -11.871 2.777 1.00 0.00 C ATOM 2242 O GLY A 133 2.005 -12.525 3.326 1.00 0.00 O ATOM 0 H GLY A 133 4.170 -9.832 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.367 -9.880 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 133 1.649 -11.133 1.199 1.00 0.00 H new ATOM 2246 N GLU A 134 4.178 -12.010 3.054 1.00 0.00 N ATOM 2247 CA GLU A 134 4.652 -12.976 4.031 1.00 0.00 C ATOM 2248 C GLU A 134 4.608 -12.356 5.417 1.00 0.00 C ATOM 2249 O GLU A 134 5.170 -11.280 5.631 1.00 0.00 O ATOM 2250 CB GLU A 134 6.087 -13.395 3.699 1.00 0.00 C ATOM 2251 CG GLU A 134 6.570 -14.615 4.464 1.00 0.00 C ATOM 2252 CD GLU A 134 5.957 -15.896 3.947 1.00 0.00 C ATOM 2253 OE1 GLU A 134 6.523 -16.485 3.005 1.00 0.00 O ATOM 2254 OE2 GLU A 134 4.904 -16.318 4.474 1.00 0.00 O ATOM 0 H GLU A 134 4.917 -11.462 2.613 1.00 0.00 H new ATOM 0 HA GLU A 134 4.011 -13.857 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 134 6.157 -13.599 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 134 6.756 -12.560 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 134 7.656 -14.680 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 134 6.327 -14.499 5.520 1.00 0.00 H new ATOM 2261 N GLN A 135 3.937 -13.013 6.350 1.00 0.00 N ATOM 2262 CA GLN A 135 3.874 -12.511 7.713 1.00 0.00 C ATOM 2263 C GLN A 135 5.202 -12.746 8.411 1.00 0.00 C ATOM 2264 O GLN A 135 5.658 -13.883 8.539 1.00 0.00 O ATOM 2265 CB GLN A 135 2.745 -13.173 8.506 1.00 0.00 C ATOM 2266 CG GLN A 135 2.604 -12.605 9.913 1.00 0.00 C ATOM 2267 CD GLN A 135 1.517 -13.274 10.729 1.00 0.00 C ATOM 2268 OE1 GLN A 135 0.523 -13.760 10.191 1.00 0.00 O ATOM 2269 NE2 GLN A 135 1.699 -13.294 12.040 1.00 0.00 N ATOM 0 H GLN A 135 3.433 -13.886 6.191 1.00 0.00 H new ATOM 0 HA GLN A 135 3.668 -11.442 7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.805 -13.043 7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.930 -14.245 8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.555 -12.709 10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.392 -11.538 9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.538 -12.879 12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.000 -13.724 12.645 1.00 0.00 H new ATOM 2278 N VAL A 136 5.820 -11.671 8.862 1.00 0.00 N ATOM 2279 CA VAL A 136 7.089 -11.766 9.552 1.00 0.00 C ATOM 2280 C VAL A 136 6.854 -12.104 11.015 1.00 0.00 C ATOM 2281 O VAL A 136 6.528 -11.234 11.820 1.00 0.00 O ATOM 2282 CB VAL A 136 7.892 -10.451 9.452 1.00 0.00 C ATOM 2283 CG1 VAL A 136 9.289 -10.626 10.029 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.957 -9.970 8.012 1.00 0.00 C ATOM 0 H VAL A 136 5.462 -10.721 8.762 1.00 0.00 H new ATOM 0 HA VAL A 136 7.669 -12.555 9.074 1.00 0.00 H new ATOM 0 HB VAL A 136 7.377 -9.692 10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.836 -9.687 9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.216 -10.914 11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.817 -11.403 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.527 -9.042 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.443 -10.727 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.947 -9.795 7.641 1.00 0.00 H new ATOM 2294 N VAL A 137 6.968 -13.388 11.339 1.00 0.00 N ATOM 2295 CA VAL A 137 6.829 -13.839 12.713 1.00 0.00 C ATOM 2296 C VAL A 137 7.932 -13.238 13.576 1.00 0.00 C ATOM 2297 O VAL A 137 9.110 -13.283 13.216 1.00 0.00 O ATOM 2298 CB VAL A 137 6.844 -15.382 12.822 1.00 0.00 C ATOM 2299 CG1 VAL A 137 5.584 -15.970 12.205 1.00 0.00 C ATOM 2300 CG2 VAL A 137 8.082 -15.975 12.159 1.00 0.00 C ATOM 0 H VAL A 137 7.156 -14.132 10.667 1.00 0.00 H new ATOM 0 HA VAL A 137 5.859 -13.497 13.074 1.00 0.00 H new ATOM 0 HB VAL A 137 6.874 -15.640 13.881 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.610 -17.056 12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.709 -15.586 12.729 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.529 -15.689 11.153 1.00 0.00 H new ATOM 0 HG21 VAL A 137 8.061 -17.061 12.254 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.095 -15.703 11.104 1.00 0.00 H new ATOM 0 HG23 VAL A 137 8.977 -15.586 12.645 1.00 0.00 H new