USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 27 ASN : amide:sc= -5.87! C(o=-5.9!,f=-7.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.335 K(o=-0.33,f=-3!) USER MOD Single : A 34 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.7!) USER MOD Single : A 35 TYR OH : rot 22:sc= -0.657 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 74:sc= -3.95! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 92:sc= -3.19! USER MOD Single : A 48 THR OG1 : rot 128:sc= 0.0735 USER MOD Single : A 49 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.8!) USER MOD Single : A 54 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-5.3!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.354 USER MOD Single : A 62 MET CE :methyl -169:sc= -2.89 (180deg=-3.46) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.611 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00568) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -15.2! C(o=-15!,f=-17!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00883) USER MOD Single : A 87 GLN : amide:sc= -4.93! C(o=-4.9!,f=-14!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00597 USER MOD Single : A 89 CYS SG : rot 103:sc= -3.57 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.594 -10.359 0.837 1.00 0.00 N ATOM 277 CA TRP A 23 -1.668 -8.956 0.466 1.00 0.00 C ATOM 278 C TRP A 23 -0.280 -8.518 -0.004 1.00 0.00 C ATOM 279 O TRP A 23 0.705 -8.685 0.714 1.00 0.00 O ATOM 280 CB TRP A 23 -2.201 -8.110 1.625 1.00 0.00 C ATOM 281 CG TRP A 23 -3.728 -8.054 1.704 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.511 -8.342 2.752 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.630 -7.673 0.644 1.00 0.00 C ATOM 284 NE1 TRP A 23 -5.846 -8.176 2.447 1.00 0.00 N ATOM 285 CE2 TRP A 23 -5.921 -7.756 1.124 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.364 -7.271 -0.677 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.048 -7.453 0.350 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.501 -6.972 -1.438 1.00 0.00 C ATOM 289 CH2 TRP A 23 -6.807 -7.050 -0.969 1.00 0.00 C ATOM 0 HA TRP A 23 -2.375 -8.810 -0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.813 -8.510 2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -1.815 -7.095 1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.143 -8.664 3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.633 -8.333 3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.362 -7.199 -1.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.049 -7.526 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.353 -6.659 -2.461 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.632 -6.801 -1.619 1.00 0.00 H new ATOM 300 N THR A 24 -0.245 -7.965 -1.208 1.00 0.00 N ATOM 301 CA THR A 24 1.006 -7.502 -1.783 1.00 0.00 C ATOM 302 C THR A 24 0.923 -6.009 -2.109 1.00 0.00 C ATOM 303 O THR A 24 -0.155 -5.492 -2.397 1.00 0.00 O ATOM 304 CB THR A 24 1.318 -8.373 -3.001 1.00 0.00 C ATOM 305 OG1 THR A 24 0.926 -7.570 -4.112 1.00 0.00 O ATOM 306 CG2 THR A 24 0.410 -9.601 -3.090 1.00 0.00 C ATOM 0 H THR A 24 -1.064 -7.827 -1.801 1.00 0.00 H new ATOM 0 HA THR A 24 1.828 -7.603 -1.074 1.00 0.00 H new ATOM 0 HB THR A 24 2.359 -8.693 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.096 -8.058 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.673 -10.185 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.538 -10.214 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.629 -9.281 -3.164 1.00 0.00 H new ATOM 314 N LEU A 25 2.076 -5.358 -2.052 1.00 0.00 N ATOM 315 CA LEU A 25 2.147 -3.935 -2.337 1.00 0.00 C ATOM 316 C LEU A 25 1.535 -3.664 -3.713 1.00 0.00 C ATOM 317 O LEU A 25 0.714 -2.761 -3.864 1.00 0.00 O ATOM 318 CB LEU A 25 3.584 -3.431 -2.193 1.00 0.00 C ATOM 319 CG LEU A 25 4.043 -3.110 -0.769 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.513 -3.484 -0.569 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.773 -1.644 -0.424 1.00 0.00 C ATOM 0 H LEU A 25 2.968 -5.790 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 25 1.562 -3.371 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.255 -4.183 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.696 -2.533 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 25 3.459 -3.717 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.814 -3.246 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.644 -4.552 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.130 -2.922 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.108 -1.442 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.314 -1.001 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.704 -1.443 -0.500 1.00 0.00 H new ATOM 333 N GLU A 26 1.959 -4.463 -4.682 1.00 0.00 N ATOM 334 CA GLU A 26 1.463 -4.320 -6.040 1.00 0.00 C ATOM 335 C GLU A 26 -0.051 -4.536 -6.077 1.00 0.00 C ATOM 336 O GLU A 26 -0.808 -3.603 -6.345 1.00 0.00 O ATOM 337 CB GLU A 26 2.178 -5.285 -6.988 1.00 0.00 C ATOM 338 CG GLU A 26 3.160 -4.538 -7.893 1.00 0.00 C ATOM 339 CD GLU A 26 3.010 -4.982 -9.350 1.00 0.00 C ATOM 340 OE1 GLU A 26 3.326 -6.161 -9.619 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.583 -4.132 -10.160 1.00 0.00 O ATOM 0 H GLU A 26 2.640 -5.211 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 26 1.674 -3.306 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.712 -6.039 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.444 -5.812 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.986 -3.465 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.181 -4.720 -7.557 1.00 0.00 H new ATOM 348 N ASN A 27 -0.448 -5.770 -5.805 1.00 0.00 N ATOM 349 CA ASN A 27 -1.859 -6.119 -5.805 1.00 0.00 C ATOM 350 C ASN A 27 -2.640 -5.066 -5.018 1.00 0.00 C ATOM 351 O ASN A 27 -3.546 -4.430 -5.555 1.00 0.00 O ATOM 352 CB ASN A 27 -2.090 -7.476 -5.137 1.00 0.00 C ATOM 353 CG ASN A 27 -3.246 -7.406 -4.138 1.00 0.00 C ATOM 354 OD1 ASN A 27 -3.071 -7.116 -2.966 1.00 0.00 O ATOM 355 ND2 ASN A 27 -4.434 -7.686 -4.665 1.00 0.00 N ATOM 0 H ASN A 27 0.182 -6.541 -5.583 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.195 -6.165 -6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.306 -8.227 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.181 -7.793 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.269 -7.666 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.510 -7.921 -5.655 1.00 0.00 H new ATOM 362 N ALA A 28 -2.261 -4.914 -3.757 1.00 0.00 N ATOM 363 CA ALA A 28 -2.916 -3.948 -2.890 1.00 0.00 C ATOM 364 C ALA A 28 -3.245 -2.689 -3.695 1.00 0.00 C ATOM 365 O ALA A 28 -4.411 -2.321 -3.828 1.00 0.00 O ATOM 366 CB ALA A 28 -2.019 -3.653 -1.686 1.00 0.00 C ATOM 0 H ALA A 28 -1.509 -5.443 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.854 -4.349 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.510 -2.929 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.839 -4.574 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.069 -3.245 -2.031 1.00 0.00 H new ATOM 372 N LYS A 29 -2.197 -2.063 -4.210 1.00 0.00 N ATOM 373 CA LYS A 29 -2.361 -0.853 -4.998 1.00 0.00 C ATOM 374 C LYS A 29 -3.581 -1.003 -5.908 1.00 0.00 C ATOM 375 O LYS A 29 -4.571 -0.290 -5.748 1.00 0.00 O ATOM 376 CB LYS A 29 -1.070 -0.524 -5.750 1.00 0.00 C ATOM 377 CG LYS A 29 -1.307 0.567 -6.796 1.00 0.00 C ATOM 378 CD LYS A 29 -0.029 1.368 -7.051 1.00 0.00 C ATOM 379 CE LYS A 29 -0.289 2.871 -6.923 1.00 0.00 C ATOM 380 NZ LYS A 29 0.523 3.623 -7.905 1.00 0.00 N ATOM 0 H LYS A 29 -1.231 -2.371 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.551 0.001 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.307 -0.196 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.689 -1.422 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.649 0.115 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.098 1.236 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.741 1.067 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.352 1.145 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.347 3.078 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.048 3.203 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.334 4.641 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.532 3.439 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.274 3.318 -8.868 1.00 0.00 H new ATOM 394 N ALA A 30 -3.471 -1.935 -6.843 1.00 0.00 N ATOM 395 CA ALA A 30 -4.553 -2.188 -7.779 1.00 0.00 C ATOM 396 C ALA A 30 -5.865 -2.342 -7.006 1.00 0.00 C ATOM 397 O ALA A 30 -6.825 -1.616 -7.256 1.00 0.00 O ATOM 398 CB ALA A 30 -4.224 -3.423 -8.620 1.00 0.00 C ATOM 0 H ALA A 30 -2.649 -2.524 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.670 -1.349 -8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.036 -3.612 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.300 -3.252 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.101 -4.286 -7.966 1.00 0.00 H new ATOM 404 N ARG A 31 -5.863 -3.293 -6.083 1.00 0.00 N ATOM 405 CA ARG A 31 -7.040 -3.551 -5.272 1.00 0.00 C ATOM 406 C ARG A 31 -7.687 -2.234 -4.840 1.00 0.00 C ATOM 407 O ARG A 31 -8.833 -1.956 -5.191 1.00 0.00 O ATOM 408 CB ARG A 31 -6.684 -4.369 -4.029 1.00 0.00 C ATOM 409 CG ARG A 31 -7.937 -4.705 -3.217 1.00 0.00 C ATOM 410 CD ARG A 31 -8.644 -5.938 -3.784 1.00 0.00 C ATOM 411 NE ARG A 31 -9.983 -6.079 -3.171 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.078 -5.438 -3.603 1.00 0.00 C ATOM 413 NH1 ARG A 31 -10.999 -4.608 -4.651 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.252 -5.627 -2.986 1.00 0.00 N ATOM 0 H ARG A 31 -5.065 -3.894 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.742 -4.122 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.181 -5.289 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.984 -3.809 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.664 -4.884 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.619 -3.855 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.738 -5.848 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.050 -6.830 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.079 -6.703 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.105 -4.463 -5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.833 -4.120 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.313 -6.259 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.085 -5.139 -3.315 1.00 0.00 H new ATOM 428 N LEU A 32 -6.924 -1.457 -4.085 1.00 0.00 N ATOM 429 CA LEU A 32 -7.408 -0.175 -3.601 1.00 0.00 C ATOM 430 C LEU A 32 -8.201 0.517 -4.711 1.00 0.00 C ATOM 431 O LEU A 32 -9.334 0.945 -4.495 1.00 0.00 O ATOM 432 CB LEU A 32 -6.250 0.664 -3.057 1.00 0.00 C ATOM 433 CG LEU A 32 -6.637 1.978 -2.374 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.533 1.721 -1.161 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.394 2.792 -2.008 1.00 0.00 C ATOM 0 H LEU A 32 -5.974 -1.691 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.090 -0.316 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.692 0.058 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.573 0.891 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.215 2.574 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.794 2.671 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.442 1.213 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.002 1.097 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.697 3.721 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.769 2.215 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.830 3.021 -2.912 1.00 0.00 H new ATOM 447 N ASN A 33 -7.575 0.607 -5.875 1.00 0.00 N ATOM 448 CA ASN A 33 -8.208 1.240 -7.020 1.00 0.00 C ATOM 449 C ASN A 33 -9.533 0.536 -7.318 1.00 0.00 C ATOM 450 O ASN A 33 -10.547 1.190 -7.559 1.00 0.00 O ATOM 451 CB ASN A 33 -7.326 1.135 -8.265 1.00 0.00 C ATOM 452 CG ASN A 33 -6.808 2.511 -8.689 1.00 0.00 C ATOM 453 OD1 ASN A 33 -7.228 3.541 -8.188 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.876 2.470 -9.636 1.00 0.00 N ATOM 0 H ASN A 33 -6.635 0.252 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.367 2.291 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.484 0.472 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.895 0.689 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.467 3.336 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.570 1.573 -10.012 1.00 0.00 H new ATOM 461 N GLN A 34 -9.483 -0.788 -7.291 1.00 0.00 N ATOM 462 CA GLN A 34 -10.667 -1.587 -7.556 1.00 0.00 C ATOM 463 C GLN A 34 -11.788 -1.214 -6.583 1.00 0.00 C ATOM 464 O GLN A 34 -12.916 -0.957 -7.000 1.00 0.00 O ATOM 465 CB GLN A 34 -10.348 -3.081 -7.477 1.00 0.00 C ATOM 466 CG GLN A 34 -10.120 -3.667 -8.872 1.00 0.00 C ATOM 467 CD GLN A 34 -11.171 -4.730 -9.199 1.00 0.00 C ATOM 468 OE1 GLN A 34 -11.849 -5.257 -8.332 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.267 -5.015 -10.495 1.00 0.00 N ATOM 0 H GLN A 34 -8.641 -1.327 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.006 -1.374 -8.570 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.460 -3.235 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.168 -3.606 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.159 -2.871 -9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.124 -4.106 -8.927 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.669 -4.536 -11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.939 -5.712 -10.815 1.00 0.00 H new ATOM 478 N TYR A 35 -11.437 -1.195 -5.306 1.00 0.00 N ATOM 479 CA TYR A 35 -12.399 -0.857 -4.271 1.00 0.00 C ATOM 480 C TYR A 35 -13.080 0.480 -4.570 1.00 0.00 C ATOM 481 O TYR A 35 -14.255 0.666 -4.258 1.00 0.00 O ATOM 482 CB TYR A 35 -11.597 -0.728 -2.975 1.00 0.00 C ATOM 483 CG TYR A 35 -12.355 -0.039 -1.839 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.329 -0.727 -1.143 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.067 1.270 -1.510 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.043 -0.078 -0.073 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.781 1.918 -0.441 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.734 1.212 0.225 1.00 0.00 C ATOM 489 OH TYR A 35 -14.408 1.825 1.234 1.00 0.00 O ATOM 0 H TYR A 35 -10.500 -1.408 -4.964 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.177 -1.618 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.296 -1.723 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.684 -0.170 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.556 -1.751 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.306 1.808 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.807 -0.605 0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.565 2.942 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.785 1.148 1.834 1.00 0.00 H new ATOM 499 N PHE A 36 -12.312 1.377 -5.172 1.00 0.00 N ATOM 500 CA PHE A 36 -12.826 2.691 -5.517 1.00 0.00 C ATOM 501 C PHE A 36 -13.666 2.634 -6.794 1.00 0.00 C ATOM 502 O PHE A 36 -14.536 3.476 -7.008 1.00 0.00 O ATOM 503 CB PHE A 36 -11.616 3.596 -5.757 1.00 0.00 C ATOM 504 CG PHE A 36 -10.797 3.886 -4.497 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.413 3.962 -3.287 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.452 4.068 -4.588 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.653 4.231 -2.119 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.692 4.337 -3.420 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.308 4.413 -2.210 1.00 0.00 C ATOM 0 H PHE A 36 -11.338 1.219 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.461 3.064 -4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.968 3.130 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.959 4.540 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.481 3.818 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.963 4.008 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.142 4.291 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.624 4.481 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.729 4.618 -1.321 1.00 0.00 H new ATOM 519 N GLN A 37 -13.376 1.631 -7.610 1.00 0.00 N ATOM 520 CA GLN A 37 -14.094 1.452 -8.861 1.00 0.00 C ATOM 521 C GLN A 37 -15.495 0.898 -8.595 1.00 0.00 C ATOM 522 O GLN A 37 -16.487 1.464 -9.050 1.00 0.00 O ATOM 523 CB GLN A 37 -13.316 0.542 -9.814 1.00 0.00 C ATOM 524 CG GLN A 37 -12.258 1.332 -10.586 1.00 0.00 C ATOM 525 CD GLN A 37 -11.823 0.580 -11.846 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.790 -0.638 -11.892 1.00 0.00 O ATOM 527 NE2 GLN A 37 -11.493 1.373 -12.861 1.00 0.00 N ATOM 0 H GLN A 37 -12.654 0.934 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.195 2.425 -9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.837 -0.258 -9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.005 0.069 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.657 2.309 -10.860 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.393 1.509 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.544 2.386 -12.754 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.189 0.968 -13.747 1.00 0.00 H new ATOM 536 N LYS A 38 -15.531 -0.202 -7.857 1.00 0.00 N ATOM 537 CA LYS A 38 -16.794 -0.839 -7.525 1.00 0.00 C ATOM 538 C LYS A 38 -17.657 0.138 -6.723 1.00 0.00 C ATOM 539 O LYS A 38 -18.805 0.397 -7.082 1.00 0.00 O ATOM 540 CB LYS A 38 -16.552 -2.172 -6.813 1.00 0.00 C ATOM 541 CG LYS A 38 -16.754 -3.348 -7.770 1.00 0.00 C ATOM 542 CD LYS A 38 -15.411 -3.909 -8.242 1.00 0.00 C ATOM 543 CE LYS A 38 -14.818 -4.861 -7.201 1.00 0.00 C ATOM 544 NZ LYS A 38 -15.312 -6.239 -7.419 1.00 0.00 N ATOM 0 H LYS A 38 -14.706 -0.668 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.347 -1.084 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.539 -2.195 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.233 -2.266 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.325 -4.132 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.340 -3.025 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.545 -4.435 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.716 -3.090 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.730 -4.844 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.086 -4.526 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.900 -6.873 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.349 -6.253 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.035 -6.561 -8.368 1.00 0.00 H new ATOM 558 N GLU A 39 -17.072 0.654 -5.653 1.00 0.00 N ATOM 559 CA GLU A 39 -17.773 1.596 -4.797 1.00 0.00 C ATOM 560 C GLU A 39 -18.000 2.916 -5.536 1.00 0.00 C ATOM 561 O GLU A 39 -18.870 3.701 -5.161 1.00 0.00 O ATOM 562 CB GLU A 39 -17.010 1.823 -3.491 1.00 0.00 C ATOM 563 CG GLU A 39 -17.200 0.646 -2.533 1.00 0.00 C ATOM 564 CD GLU A 39 -18.307 0.939 -1.517 1.00 0.00 C ATOM 565 OE1 GLU A 39 -18.053 1.782 -0.629 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.380 0.314 -1.651 1.00 0.00 O ATOM 0 H GLU A 39 -16.120 0.438 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.745 1.173 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.949 1.956 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.357 2.741 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.449 -0.252 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.265 0.444 -2.010 1.00 0.00 H new ATOM 573 N LYS A 40 -17.203 3.121 -6.574 1.00 0.00 N ATOM 574 CA LYS A 40 -17.306 4.333 -7.370 1.00 0.00 C ATOM 575 C LYS A 40 -16.726 5.508 -6.579 1.00 0.00 C ATOM 576 O LYS A 40 -17.073 6.661 -6.830 1.00 0.00 O ATOM 577 CB LYS A 40 -18.749 4.552 -7.828 1.00 0.00 C ATOM 578 CG LYS A 40 -18.862 4.454 -9.350 1.00 0.00 C ATOM 579 CD LYS A 40 -20.135 3.711 -9.759 1.00 0.00 C ATOM 580 CE LYS A 40 -21.097 4.640 -10.503 1.00 0.00 C ATOM 581 NZ LYS A 40 -21.960 5.366 -9.546 1.00 0.00 N ATOM 0 H LYS A 40 -16.483 2.468 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.717 4.241 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.398 3.810 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.095 5.531 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.866 5.454 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.990 3.936 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.878 2.864 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.625 3.308 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.532 5.352 -11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.713 4.060 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.607 5.992 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.513 4.683 -8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.368 5.934 -8.907 1.00 0.00 H new ATOM 595 N ILE A 41 -15.854 5.174 -5.639 1.00 0.00 N ATOM 596 CA ILE A 41 -15.223 6.187 -4.810 1.00 0.00 C ATOM 597 C ILE A 41 -14.034 6.788 -5.562 1.00 0.00 C ATOM 598 O ILE A 41 -13.573 6.224 -6.553 1.00 0.00 O ATOM 599 CB ILE A 41 -14.856 5.608 -3.442 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.107 5.158 -2.684 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.021 6.601 -2.632 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.784 4.011 -1.725 1.00 0.00 C ATOM 0 H ILE A 41 -15.570 4.216 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.919 7.002 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.239 4.723 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.520 5.998 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.871 4.840 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.774 6.164 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.102 6.830 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.591 7.518 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.690 3.710 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.394 3.164 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.037 4.340 -1.002 1.00 0.00 H new ATOM 614 N GLN A 42 -13.572 7.925 -5.062 1.00 0.00 N ATOM 615 CA GLN A 42 -12.446 8.609 -5.675 1.00 0.00 C ATOM 616 C GLN A 42 -11.354 8.868 -4.635 1.00 0.00 C ATOM 617 O GLN A 42 -11.618 9.452 -3.585 1.00 0.00 O ATOM 618 CB GLN A 42 -12.891 9.913 -6.340 1.00 0.00 C ATOM 619 CG GLN A 42 -13.798 10.721 -5.409 1.00 0.00 C ATOM 620 CD GLN A 42 -13.939 12.164 -5.898 1.00 0.00 C ATOM 621 OE1 GLN A 42 -14.872 12.521 -6.598 1.00 0.00 O ATOM 622 NE2 GLN A 42 -12.963 12.970 -5.491 1.00 0.00 N ATOM 0 H GLN A 42 -13.957 8.390 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.035 7.966 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.016 10.506 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.420 9.691 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.781 10.253 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.388 10.714 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.211 12.606 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.966 13.953 -5.764 1.00 0.00 H new ATOM 631 N GLY A 43 -10.150 8.423 -4.964 1.00 0.00 N ATOM 632 CA GLY A 43 -9.017 8.600 -4.072 1.00 0.00 C ATOM 633 C GLY A 43 -7.696 8.417 -4.821 1.00 0.00 C ATOM 634 O GLY A 43 -7.478 7.390 -5.462 1.00 0.00 O ATOM 0 H GLY A 43 -9.935 7.940 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.052 9.594 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.078 7.882 -3.254 1.00 0.00 H new ATOM 638 N GLU A 44 -6.847 9.429 -4.715 1.00 0.00 N ATOM 639 CA GLU A 44 -5.553 9.393 -5.375 1.00 0.00 C ATOM 640 C GLU A 44 -4.428 9.410 -4.338 1.00 0.00 C ATOM 641 O GLU A 44 -4.686 9.360 -3.136 1.00 0.00 O ATOM 642 CB GLU A 44 -5.407 10.554 -6.360 1.00 0.00 C ATOM 643 CG GLU A 44 -6.191 11.779 -5.884 1.00 0.00 C ATOM 644 CD GLU A 44 -6.033 12.945 -6.862 1.00 0.00 C ATOM 645 OE1 GLU A 44 -4.867 13.315 -7.121 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.082 13.441 -7.329 1.00 0.00 O ATOM 0 H GLU A 44 -7.030 10.279 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.483 8.466 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.354 10.812 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.765 10.248 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.246 11.524 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.841 12.078 -4.896 1.00 0.00 H new ATOM 653 N TYR A 45 -3.204 9.480 -4.840 1.00 0.00 N ATOM 654 CA TYR A 45 -2.039 9.504 -3.973 1.00 0.00 C ATOM 655 C TYR A 45 -1.359 10.874 -4.005 1.00 0.00 C ATOM 656 O TYR A 45 -1.067 11.401 -5.078 1.00 0.00 O ATOM 657 CB TYR A 45 -1.075 8.456 -4.532 1.00 0.00 C ATOM 658 CG TYR A 45 -1.583 7.017 -4.414 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.401 6.492 -5.393 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.222 6.245 -3.328 1.00 0.00 C ATOM 661 CE1 TYR A 45 -2.878 5.138 -5.282 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.700 4.891 -3.217 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.504 4.404 -4.199 1.00 0.00 C ATOM 664 OH TYR A 45 -2.956 3.126 -4.094 1.00 0.00 O ATOM 0 H TYR A 45 -2.994 9.521 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.325 9.300 -2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.883 8.678 -5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.122 8.538 -4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.683 7.096 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.581 6.656 -2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.518 4.714 -6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.426 4.276 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.477 2.556 -4.732 1.00 0.00 H new ATOM 674 N LYS A 46 -1.127 11.412 -2.817 1.00 0.00 N ATOM 675 CA LYS A 46 -0.487 12.711 -2.696 1.00 0.00 C ATOM 676 C LYS A 46 1.008 12.515 -2.433 1.00 0.00 C ATOM 677 O LYS A 46 1.406 12.166 -1.323 1.00 0.00 O ATOM 678 CB LYS A 46 -1.192 13.559 -1.635 1.00 0.00 C ATOM 679 CG LYS A 46 -1.525 14.950 -2.178 1.00 0.00 C ATOM 680 CD LYS A 46 -1.263 16.027 -1.124 1.00 0.00 C ATOM 681 CE LYS A 46 -1.100 17.403 -1.774 1.00 0.00 C ATOM 682 NZ LYS A 46 0.323 17.661 -2.090 1.00 0.00 N ATOM 0 H LYS A 46 -1.371 10.972 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.577 13.269 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.107 13.061 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.555 13.651 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.925 15.151 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.570 14.984 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.088 16.053 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.364 15.778 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.696 17.454 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.476 18.176 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.416 18.599 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.884 17.632 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.670 16.934 -2.747 1.00 0.00 H new ATOM 696 N TYR A 47 1.794 12.750 -3.473 1.00 0.00 N ATOM 697 CA TYR A 47 3.236 12.604 -3.369 1.00 0.00 C ATOM 698 C TYR A 47 3.892 13.922 -2.951 1.00 0.00 C ATOM 699 O TYR A 47 3.766 14.929 -3.645 1.00 0.00 O ATOM 700 CB TYR A 47 3.725 12.227 -4.769 1.00 0.00 C ATOM 701 CG TYR A 47 3.126 10.926 -5.307 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.548 9.712 -4.805 1.00 0.00 C ATOM 703 CD2 TYR A 47 2.163 10.966 -6.295 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.985 8.488 -5.312 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.599 9.742 -6.802 1.00 0.00 C ATOM 706 CZ TYR A 47 2.038 8.563 -6.285 1.00 0.00 C ATOM 707 OH TYR A 47 1.505 7.407 -6.764 1.00 0.00 O ATOM 0 H TYR A 47 1.460 13.040 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 47 3.492 11.854 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.485 13.038 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.811 12.135 -4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.301 9.680 -4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.832 11.916 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.308 7.531 -4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.845 9.760 -7.575 1.00 0.00 H new ATOM 0 HH TYR A 47 0.699 7.182 -6.254 1.00 0.00 H new ATOM 717 N THR A 48 4.577 13.872 -1.818 1.00 0.00 N ATOM 718 CA THR A 48 5.253 15.049 -1.299 1.00 0.00 C ATOM 719 C THR A 48 6.768 14.911 -1.465 1.00 0.00 C ATOM 720 O THR A 48 7.387 14.047 -0.847 1.00 0.00 O ATOM 721 CB THR A 48 4.816 15.243 0.154 1.00 0.00 C ATOM 722 OG1 THR A 48 3.551 15.891 0.053 1.00 0.00 O ATOM 723 CG2 THR A 48 5.692 16.252 0.899 1.00 0.00 C ATOM 0 H THR A 48 4.678 13.035 -1.245 1.00 0.00 H new ATOM 0 HA THR A 48 4.977 15.943 -1.859 1.00 0.00 H new ATOM 0 HB THR A 48 4.845 14.284 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.887 15.396 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.339 16.352 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.725 15.904 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.637 17.220 0.400 1.00 0.00 H new ATOM 731 N GLN A 49 7.320 15.776 -2.304 1.00 0.00 N ATOM 732 CA GLN A 49 8.750 15.761 -2.558 1.00 0.00 C ATOM 733 C GLN A 49 9.495 16.505 -1.448 1.00 0.00 C ATOM 734 O GLN A 49 9.293 17.703 -1.254 1.00 0.00 O ATOM 735 CB GLN A 49 9.069 16.361 -3.929 1.00 0.00 C ATOM 736 CG GLN A 49 10.580 16.477 -4.139 1.00 0.00 C ATOM 737 CD GLN A 49 10.971 17.905 -4.526 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.160 18.699 -4.973 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.257 18.185 -4.331 1.00 0.00 N ATOM 0 H GLN A 49 6.803 16.491 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 49 9.087 14.724 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.636 15.738 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.610 17.346 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.101 16.188 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.897 15.785 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.882 17.473 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.618 19.111 -4.559 1.00 0.00 H new ATOM 748 N VAL A 50 10.341 15.764 -0.748 1.00 0.00 N ATOM 749 CA VAL A 50 11.117 16.339 0.338 1.00 0.00 C ATOM 750 C VAL A 50 12.608 16.167 0.040 1.00 0.00 C ATOM 751 O VAL A 50 12.979 15.555 -0.960 1.00 0.00 O ATOM 752 CB VAL A 50 10.697 15.713 1.670 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.296 16.175 2.075 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.774 14.186 1.606 1.00 0.00 C ATOM 0 H VAL A 50 10.506 14.771 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 50 10.923 17.408 0.422 1.00 0.00 H new ATOM 0 HB VAL A 50 11.396 16.052 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.022 15.716 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.287 17.260 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.580 15.879 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.471 13.766 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.109 13.821 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.797 13.882 1.384 1.00 0.00 H new ATOM 764 N GLY A 51 13.424 16.717 0.928 1.00 0.00 N ATOM 765 CA GLY A 51 14.866 16.632 0.773 1.00 0.00 C ATOM 766 C GLY A 51 15.317 17.289 -0.533 1.00 0.00 C ATOM 767 O GLY A 51 14.492 17.786 -1.299 1.00 0.00 O ATOM 0 H GLY A 51 13.113 17.223 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.355 17.119 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.176 15.587 0.784 1.00 0.00 H new ATOM 771 N PRO A 52 16.658 17.270 -0.753 1.00 0.00 N ATOM 772 CA PRO A 52 17.229 17.858 -1.953 1.00 0.00 C ATOM 773 C PRO A 52 16.981 16.966 -3.171 1.00 0.00 C ATOM 774 O PRO A 52 16.800 15.757 -3.034 1.00 0.00 O ATOM 775 CB PRO A 52 18.705 18.039 -1.639 1.00 0.00 C ATOM 776 CG PRO A 52 18.996 17.125 -0.460 1.00 0.00 C ATOM 777 CD PRO A 52 17.665 16.690 0.132 1.00 0.00 C ATOM 0 HA PRO A 52 16.772 18.813 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.322 17.776 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.927 19.077 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.572 16.258 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.595 17.645 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.583 15.604 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.549 17.051 1.154 1.00 0.00 H new ATOM 785 N ASP A 53 16.982 17.597 -4.336 1.00 0.00 N ATOM 786 CA ASP A 53 16.760 16.875 -5.578 1.00 0.00 C ATOM 787 C ASP A 53 17.744 15.708 -5.668 1.00 0.00 C ATOM 788 O ASP A 53 17.346 14.574 -5.928 1.00 0.00 O ATOM 789 CB ASP A 53 16.989 17.781 -6.790 1.00 0.00 C ATOM 790 CG ASP A 53 16.958 17.069 -8.144 1.00 0.00 C ATOM 791 OD1 ASP A 53 15.842 16.936 -8.690 1.00 0.00 O ATOM 792 OD2 ASP A 53 18.052 16.675 -8.602 1.00 0.00 O ATOM 0 H ASP A 53 17.133 18.600 -4.446 1.00 0.00 H new ATOM 0 HA ASP A 53 15.729 16.520 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.229 18.562 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.954 18.275 -6.678 1.00 0.00 H new ATOM 797 N HIS A 54 19.012 16.026 -5.447 1.00 0.00 N ATOM 798 CA HIS A 54 20.056 15.017 -5.500 1.00 0.00 C ATOM 799 C HIS A 54 19.611 13.776 -4.724 1.00 0.00 C ATOM 800 O HIS A 54 19.763 12.653 -5.202 1.00 0.00 O ATOM 801 CB HIS A 54 21.385 15.585 -4.997 1.00 0.00 C ATOM 802 CG HIS A 54 21.698 15.238 -3.561 1.00 0.00 C ATOM 803 ND1 HIS A 54 21.491 16.120 -2.515 1.00 0.00 N ATOM 804 CD2 HIS A 54 22.203 14.097 -3.010 1.00 0.00 C ATOM 805 CE1 HIS A 54 21.859 15.526 -1.389 1.00 0.00 C ATOM 806 NE2 HIS A 54 22.300 14.273 -1.698 1.00 0.00 N ATOM 0 H HIS A 54 19.339 16.968 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 54 20.223 14.715 -6.534 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.190 15.216 -5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.368 16.670 -5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.477 13.203 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.817 15.958 -0.400 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.647 13.584 -1.031 1.00 0.00 H new ATOM 814 N ASN A 55 19.070 14.020 -3.540 1.00 0.00 N ATOM 815 CA ASN A 55 18.601 12.936 -2.693 1.00 0.00 C ATOM 816 C ASN A 55 17.279 13.341 -2.038 1.00 0.00 C ATOM 817 O ASN A 55 17.265 13.820 -0.905 1.00 0.00 O ATOM 818 CB ASN A 55 19.606 12.632 -1.581 1.00 0.00 C ATOM 819 CG ASN A 55 19.377 11.234 -1.002 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.672 11.047 -0.024 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.011 10.266 -1.658 1.00 0.00 N ATOM 0 H ASN A 55 18.946 14.953 -3.147 1.00 0.00 H new ATOM 0 HA ASN A 55 18.475 12.051 -3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.621 12.706 -1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.515 13.376 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.922 9.298 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.586 10.492 -2.470 1.00 0.00 H new ATOM 828 N ARG A 56 16.200 13.135 -2.779 1.00 0.00 N ATOM 829 CA ARG A 56 14.877 13.473 -2.284 1.00 0.00 C ATOM 830 C ARG A 56 13.997 12.222 -2.225 1.00 0.00 C ATOM 831 O ARG A 56 14.447 11.126 -2.555 1.00 0.00 O ATOM 832 CB ARG A 56 14.205 14.519 -3.176 1.00 0.00 C ATOM 833 CG ARG A 56 14.438 14.207 -4.656 1.00 0.00 C ATOM 834 CD ARG A 56 13.284 14.729 -5.514 1.00 0.00 C ATOM 835 NE ARG A 56 13.410 14.217 -6.897 1.00 0.00 N ATOM 836 CZ ARG A 56 12.752 14.724 -7.949 1.00 0.00 C ATOM 837 NH1 ARG A 56 11.919 15.760 -7.782 1.00 0.00 N ATOM 838 NH2 ARG A 56 12.928 14.195 -9.167 1.00 0.00 N ATOM 0 H ARG A 56 16.215 12.738 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 56 14.994 13.887 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.135 14.545 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.598 15.508 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.374 14.660 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.540 13.130 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.331 14.416 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.288 15.819 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 56 14.037 13.429 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.786 16.163 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.418 16.146 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.563 13.407 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.427 14.581 -9.968 1.00 0.00 H new ATOM 852 N SER A 57 12.759 12.428 -1.801 1.00 0.00 N ATOM 853 CA SER A 57 11.812 11.331 -1.695 1.00 0.00 C ATOM 854 C SER A 57 10.380 11.869 -1.740 1.00 0.00 C ATOM 855 O SER A 57 10.057 12.843 -1.061 1.00 0.00 O ATOM 856 CB SER A 57 12.038 10.532 -0.410 1.00 0.00 C ATOM 857 OG SER A 57 13.417 10.465 -0.058 1.00 0.00 O ATOM 0 H SER A 57 12.390 13.338 -1.527 1.00 0.00 H new ATOM 0 HA SER A 57 11.968 10.661 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.478 10.990 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.647 9.523 -0.537 1.00 0.00 H new ATOM 0 HG SER A 57 13.519 9.948 0.768 1.00 0.00 H new ATOM 863 N PHE A 58 9.560 11.212 -2.547 1.00 0.00 N ATOM 864 CA PHE A 58 8.171 11.612 -2.690 1.00 0.00 C ATOM 865 C PHE A 58 7.283 10.879 -1.682 1.00 0.00 C ATOM 866 O PHE A 58 6.971 9.704 -1.864 1.00 0.00 O ATOM 867 CB PHE A 58 7.738 11.228 -4.106 1.00 0.00 C ATOM 868 CG PHE A 58 8.365 12.091 -5.204 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.679 11.940 -5.520 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.607 13.008 -5.863 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.260 12.741 -6.538 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.189 13.809 -6.882 1.00 0.00 C ATOM 873 CZ PHE A 58 9.503 13.658 -7.198 1.00 0.00 C ATOM 0 H PHE A 58 9.831 10.405 -3.109 1.00 0.00 H new ATOM 0 HA PHE A 58 8.072 12.683 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.999 10.185 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.653 11.301 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.280 11.211 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.563 13.127 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.304 12.622 -6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.588 14.538 -7.406 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.945 14.266 -7.973 1.00 0.00 H new ATOM 883 N ILE A 59 6.901 11.605 -0.641 1.00 0.00 N ATOM 884 CA ILE A 59 6.055 11.039 0.396 1.00 0.00 C ATOM 885 C ILE A 59 4.638 10.857 -0.151 1.00 0.00 C ATOM 886 O ILE A 59 3.905 11.830 -0.323 1.00 0.00 O ATOM 887 CB ILE A 59 6.120 11.891 1.665 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.439 11.669 2.408 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.906 11.634 2.561 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.592 12.661 3.562 1.00 0.00 C ATOM 0 H ILE A 59 7.162 12.580 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 59 6.415 10.051 0.685 1.00 0.00 H new ATOM 0 HB ILE A 59 6.088 12.941 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.477 10.650 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.274 11.780 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.977 12.252 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.994 11.884 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.881 10.583 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.538 12.481 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.578 13.679 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.769 12.531 4.265 1.00 0.00 H new ATOM 902 N ALA A 60 4.294 9.604 -0.410 1.00 0.00 N ATOM 903 CA ALA A 60 2.977 9.282 -0.934 1.00 0.00 C ATOM 904 C ALA A 60 2.000 9.101 0.229 1.00 0.00 C ATOM 905 O ALA A 60 2.085 8.122 0.969 1.00 0.00 O ATOM 906 CB ALA A 60 3.070 8.036 -1.817 1.00 0.00 C ATOM 0 H ALA A 60 4.904 8.799 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 60 2.602 10.095 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.083 7.794 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.753 8.227 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.440 7.198 -1.226 1.00 0.00 H new ATOM 912 N GLU A 61 1.095 10.060 0.355 1.00 0.00 N ATOM 913 CA GLU A 61 0.103 10.018 1.416 1.00 0.00 C ATOM 914 C GLU A 61 -1.307 9.971 0.823 1.00 0.00 C ATOM 915 O GLU A 61 -1.630 10.741 -0.080 1.00 0.00 O ATOM 916 CB GLU A 61 0.260 11.211 2.361 1.00 0.00 C ATOM 917 CG GLU A 61 -0.041 12.526 1.639 1.00 0.00 C ATOM 918 CD GLU A 61 0.668 13.700 2.318 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.833 13.953 1.943 1.00 0.00 O ATOM 920 OE2 GLU A 61 0.028 14.317 3.197 1.00 0.00 O ATOM 0 H GLU A 61 1.028 10.871 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 61 0.262 9.111 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.412 11.097 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.275 11.234 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.279 12.456 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.117 12.702 1.630 1.00 0.00 H new ATOM 927 N MET A 62 -2.108 9.060 1.355 1.00 0.00 N ATOM 928 CA MET A 62 -3.475 8.902 0.890 1.00 0.00 C ATOM 929 C MET A 62 -4.434 8.698 2.065 1.00 0.00 C ATOM 930 O MET A 62 -4.098 8.018 3.034 1.00 0.00 O ATOM 931 CB MET A 62 -3.559 7.699 -0.052 1.00 0.00 C ATOM 932 CG MET A 62 -5.012 7.384 -0.412 1.00 0.00 C ATOM 933 SD MET A 62 -5.088 5.900 -1.401 1.00 0.00 S ATOM 934 CE MET A 62 -5.115 6.618 -3.035 1.00 0.00 C ATOM 0 H MET A 62 -1.836 8.423 2.104 1.00 0.00 H new ATOM 0 HA MET A 62 -3.766 9.810 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.992 7.904 -0.960 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.101 6.830 0.421 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.601 7.256 0.496 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.449 8.219 -0.960 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.357 5.848 -3.767 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.868 7.405 -3.074 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.136 7.040 -3.263 1.00 0.00 H new ATOM 944 N THR A 63 -5.608 9.299 1.940 1.00 0.00 N ATOM 945 CA THR A 63 -6.618 9.191 2.979 1.00 0.00 C ATOM 946 C THR A 63 -7.959 8.766 2.378 1.00 0.00 C ATOM 947 O THR A 63 -8.320 9.203 1.286 1.00 0.00 O ATOM 948 CB THR A 63 -6.680 10.530 3.718 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.353 10.721 4.202 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.533 10.460 4.986 1.00 0.00 C ATOM 0 H THR A 63 -5.882 9.862 1.135 1.00 0.00 H new ATOM 0 HA THR A 63 -6.362 8.416 3.701 1.00 0.00 H new ATOM 0 HB THR A 63 -7.082 11.294 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.303 11.568 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.544 11.436 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.552 10.174 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.112 9.720 5.667 1.00 0.00 H new ATOM 958 N ILE A 64 -8.661 7.920 3.118 1.00 0.00 N ATOM 959 CA ILE A 64 -9.954 7.431 2.671 1.00 0.00 C ATOM 960 C ILE A 64 -10.898 7.331 3.871 1.00 0.00 C ATOM 961 O ILE A 64 -10.452 7.165 5.005 1.00 0.00 O ATOM 962 CB ILE A 64 -9.795 6.118 1.903 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.735 5.227 2.554 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.494 6.379 0.426 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.876 3.776 2.088 1.00 0.00 C ATOM 0 H ILE A 64 -8.359 7.561 4.024 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.404 8.132 1.967 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.742 5.580 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.741 5.598 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.831 5.275 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.386 5.429 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.313 6.946 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.569 6.949 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.111 3.164 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.863 3.401 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.755 3.728 1.006 1.00 0.00 H new ATOM 977 N TYR A 65 -12.187 7.435 3.580 1.00 0.00 N ATOM 978 CA TYR A 65 -13.198 7.358 4.620 1.00 0.00 C ATOM 979 C TYR A 65 -14.143 6.179 4.381 1.00 0.00 C ATOM 980 O TYR A 65 -14.560 5.933 3.250 1.00 0.00 O ATOM 981 CB TYR A 65 -13.995 8.661 4.531 1.00 0.00 C ATOM 982 CG TYR A 65 -15.241 8.690 5.418 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.397 8.058 5.005 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.210 9.348 6.630 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.570 8.085 5.839 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.384 9.376 7.465 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.505 8.743 7.028 1.00 0.00 C ATOM 988 OH TYR A 65 -18.614 8.769 7.816 1.00 0.00 O ATOM 0 H TYR A 65 -12.554 7.572 2.638 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.734 7.217 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.346 9.492 4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.295 8.821 3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.421 7.543 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.306 9.842 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.480 7.594 5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.374 9.888 8.416 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.422 9.273 8.634 1.00 0.00 H new ATOM 998 N ILE A 66 -14.453 5.481 5.464 1.00 0.00 N ATOM 999 CA ILE A 66 -15.341 4.334 5.385 1.00 0.00 C ATOM 1000 C ILE A 66 -16.650 4.657 6.107 1.00 0.00 C ATOM 1001 O ILE A 66 -16.663 4.846 7.323 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.642 3.079 5.913 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.229 2.956 5.338 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.482 1.829 5.642 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.255 2.982 3.808 1.00 0.00 C ATOM 0 H ILE A 66 -14.105 5.688 6.400 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.594 4.119 4.347 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.543 3.172 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.609 3.773 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.772 2.028 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.963 0.951 6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.448 1.925 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.634 1.719 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.238 2.893 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.855 2.150 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.690 3.922 3.467 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.721 4.712 5.328 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.032 5.010 5.878 1.00 0.00 C ATOM 1019 C LYS A 67 -19.540 3.797 6.660 1.00 0.00 C ATOM 1020 O LYS A 67 -20.139 3.946 7.724 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.984 5.472 4.773 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.024 4.460 3.626 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.704 5.133 2.289 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.703 4.712 1.210 1.00 0.00 C ATOM 1025 NZ LYS A 67 -22.010 5.372 1.429 1.00 0.00 N ATOM 0 H LYS A 67 -17.707 4.555 4.320 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.970 5.840 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.986 5.603 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.664 6.443 4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.307 3.661 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.010 3.998 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.727 6.216 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.694 4.868 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.316 4.975 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.828 3.629 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -22.651 5.143 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -22.424 5.035 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -21.875 6.402 1.477 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.282 2.623 6.102 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.705 1.385 6.735 1.00 0.00 C ATOM 1041 C GLN A 68 -19.061 1.247 8.115 1.00 0.00 C ATOM 1042 O GLN A 68 -19.505 0.443 8.934 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.377 0.179 5.853 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.880 0.120 5.539 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.538 -1.133 4.731 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.465 -2.236 5.248 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.333 -0.903 3.437 1.00 0.00 N ATOM 0 H GLN A 68 -18.786 2.503 5.219 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.787 1.416 6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.683 -0.738 6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.945 0.238 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.587 1.009 4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.310 0.125 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.410 0.045 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.099 -1.675 2.813 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.024 2.043 8.332 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.314 2.019 9.599 1.00 0.00 C ATOM 1058 C LEU A 69 -17.660 3.278 10.396 1.00 0.00 C ATOM 1059 O LEU A 69 -17.808 3.224 11.616 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.813 1.830 9.369 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.392 0.491 8.760 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.943 0.157 9.121 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.356 -0.625 9.169 1.00 0.00 C ATOM 0 H LEU A 69 -17.659 2.709 7.651 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.631 1.165 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.462 2.630 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.301 1.949 10.324 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.442 0.578 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.668 -0.799 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.284 0.937 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.843 0.095 10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.034 -1.566 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.361 -0.721 10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.360 -0.384 8.821 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.778 4.383 9.674 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.104 5.654 10.299 1.00 0.00 C ATOM 1077 C GLY A 70 -16.837 6.458 10.599 1.00 0.00 C ATOM 1078 O GLY A 70 -16.892 7.476 11.287 1.00 0.00 O ATOM 0 H GLY A 70 -17.654 4.424 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.757 6.229 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.655 5.478 11.223 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.726 5.971 10.067 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.447 6.632 10.269 1.00 0.00 C ATOM 1084 C ARG A 71 -13.653 6.661 8.962 1.00 0.00 C ATOM 1085 O ARG A 71 -14.162 6.271 7.912 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.623 5.920 11.343 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.119 4.566 10.840 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.543 3.734 11.988 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.064 3.762 11.941 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.313 4.723 12.496 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.898 5.740 13.144 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.977 4.667 12.404 1.00 0.00 N ATOM 0 H ARG A 71 -15.684 5.127 9.496 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.648 7.651 10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.776 6.544 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.230 5.777 12.237 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.937 4.022 10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.355 4.719 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.892 4.126 12.943 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.898 2.706 11.917 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.587 3.002 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.915 5.782 13.215 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.327 6.472 13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.532 3.893 11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.406 5.399 12.827 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.417 7.126 9.068 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.546 7.211 7.908 1.00 0.00 C ATOM 1108 C ARG A 72 -10.105 6.879 8.300 1.00 0.00 C ATOM 1109 O ARG A 72 -9.682 7.162 9.420 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.590 8.609 7.287 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.417 9.689 8.357 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.217 10.585 8.041 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.594 12.008 8.197 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.587 12.663 9.365 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.223 12.028 10.488 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.945 13.954 9.412 1.00 0.00 N ATOM 0 H ARG A 72 -11.998 7.448 9.940 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.901 6.488 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.803 8.704 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.539 8.752 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.322 10.294 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.280 9.222 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.388 10.345 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.873 10.401 7.023 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.877 12.522 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.951 11.046 10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.218 12.527 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.223 14.438 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.940 14.453 10.302 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.391 6.285 7.355 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.006 5.911 7.588 1.00 0.00 C ATOM 1132 C ILE A 73 -7.093 6.805 6.746 1.00 0.00 C ATOM 1133 O ILE A 73 -7.513 7.335 5.719 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.804 4.416 7.337 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -7.958 4.084 5.851 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.743 3.582 8.211 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.447 2.674 5.549 1.00 0.00 C ATOM 0 H ILE A 73 -9.745 6.054 6.427 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.738 6.073 8.632 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.784 4.156 7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.006 4.164 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.407 4.810 5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.579 2.523 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.542 3.790 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.777 3.838 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.568 2.463 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.392 2.604 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.016 1.948 6.130 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.861 6.945 7.212 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.885 7.765 6.515 1.00 0.00 C ATOM 1151 C PHE A 74 -3.556 7.023 6.359 1.00 0.00 C ATOM 1152 O PHE A 74 -3.246 6.126 7.142 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.661 9.016 7.367 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.248 9.594 7.264 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.924 10.415 6.228 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -2.317 9.289 8.206 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.613 10.952 6.132 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -1.006 9.826 8.110 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.682 10.646 7.074 1.00 0.00 C ATOM 0 H PHE A 74 -5.516 6.504 8.065 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.251 8.012 5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.378 9.780 7.067 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.869 8.775 8.410 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.664 10.658 5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.574 8.638 9.028 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.355 11.604 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.267 9.584 8.859 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.315 11.054 7.000 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.806 7.425 5.344 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.517 6.810 5.076 1.00 0.00 C ATOM 1171 C ALA A 75 -0.531 7.883 4.610 1.00 0.00 C ATOM 1172 O ALA A 75 -0.937 8.914 4.076 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.690 5.690 4.047 1.00 0.00 C ATOM 0 H ALA A 75 -3.066 8.169 4.697 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.110 6.361 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.723 5.228 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.376 4.939 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.094 6.104 3.123 1.00 0.00 H new ATOM 1179 N ARG A 76 0.745 7.604 4.829 1.00 0.00 N ATOM 1180 CA ARG A 76 1.792 8.532 4.438 1.00 0.00 C ATOM 1181 C ARG A 76 3.167 7.885 4.611 1.00 0.00 C ATOM 1182 O ARG A 76 3.782 8.000 5.670 1.00 0.00 O ATOM 1183 CB ARG A 76 1.731 9.814 5.271 1.00 0.00 C ATOM 1184 CG ARG A 76 2.727 10.853 4.752 1.00 0.00 C ATOM 1185 CD ARG A 76 3.830 11.116 5.780 1.00 0.00 C ATOM 1186 NE ARG A 76 3.700 12.487 6.322 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.670 13.124 6.992 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.846 12.519 7.205 1.00 0.00 N ATOM 1189 NH2 ARG A 76 4.463 14.367 7.448 1.00 0.00 N ATOM 0 H ARG A 76 1.078 6.748 5.273 1.00 0.00 H new ATOM 0 HA ARG A 76 1.635 8.785 3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.722 10.225 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.949 9.585 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.170 10.503 3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.204 11.783 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.765 10.389 6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.808 10.991 5.316 1.00 0.00 H new ATOM 0 HE ARG A 76 2.817 12.977 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.003 11.573 6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.584 13.004 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.568 14.828 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.201 14.853 7.958 1.00 0.00 H new ATOM 1203 N GLU A 77 3.610 7.219 3.555 1.00 0.00 N ATOM 1204 CA GLU A 77 4.902 6.553 3.577 1.00 0.00 C ATOM 1205 C GLU A 77 5.980 7.468 2.993 1.00 0.00 C ATOM 1206 O GLU A 77 5.690 8.589 2.578 1.00 0.00 O ATOM 1207 CB GLU A 77 4.845 5.222 2.825 1.00 0.00 C ATOM 1208 CG GLU A 77 3.801 4.289 3.440 1.00 0.00 C ATOM 1209 CD GLU A 77 4.379 3.536 4.640 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.144 2.578 4.395 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.041 3.934 5.776 1.00 0.00 O ATOM 0 H GLU A 77 3.097 7.126 2.678 1.00 0.00 H new ATOM 0 HA GLU A 77 5.160 6.336 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.604 5.402 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.824 4.744 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.931 4.866 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.458 3.577 2.690 1.00 0.00 H new ATOM 1218 N HIS A 78 7.202 6.955 2.979 1.00 0.00 N ATOM 1219 CA HIS A 78 8.325 7.712 2.453 1.00 0.00 C ATOM 1220 C HIS A 78 9.116 6.843 1.473 1.00 0.00 C ATOM 1221 O HIS A 78 10.338 6.746 1.571 1.00 0.00 O ATOM 1222 CB HIS A 78 9.190 8.262 3.589 1.00 0.00 C ATOM 1223 CG HIS A 78 9.755 9.636 3.321 1.00 0.00 C ATOM 1224 ND1 HIS A 78 10.118 10.508 4.333 1.00 0.00 N ATOM 1225 CD2 HIS A 78 10.015 10.280 2.147 1.00 0.00 C ATOM 1226 CE1 HIS A 78 10.574 11.623 3.781 1.00 0.00 C ATOM 1227 NE2 HIS A 78 10.509 11.480 2.427 1.00 0.00 N ATOM 0 H HIS A 78 7.439 6.025 3.323 1.00 0.00 H new ATOM 0 HA HIS A 78 7.958 8.578 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.594 8.297 4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.013 7.571 3.772 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.047 10.324 5.334 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.847 9.881 1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.934 12.492 4.311 1.00 0.00 H new ATOM 1235 N GLY A 79 8.386 6.232 0.552 1.00 0.00 N ATOM 1236 CA GLY A 79 9.003 5.373 -0.445 1.00 0.00 C ATOM 1237 C GLY A 79 10.108 6.116 -1.198 1.00 0.00 C ATOM 1238 O GLY A 79 10.530 7.195 -0.785 1.00 0.00 O ATOM 0 H GLY A 79 7.372 6.315 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.418 4.489 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.247 5.026 -1.150 1.00 0.00 H new ATOM 1242 N SER A 80 10.546 5.508 -2.292 1.00 0.00 N ATOM 1243 CA SER A 80 11.594 6.098 -3.107 1.00 0.00 C ATOM 1244 C SER A 80 10.978 6.837 -4.297 1.00 0.00 C ATOM 1245 O SER A 80 11.134 8.050 -4.427 1.00 0.00 O ATOM 1246 CB SER A 80 12.577 5.033 -3.595 1.00 0.00 C ATOM 1247 OG SER A 80 13.619 4.795 -2.652 1.00 0.00 O ATOM 0 H SER A 80 10.194 4.613 -2.632 1.00 0.00 H new ATOM 0 HA SER A 80 12.146 6.809 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.040 4.103 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.012 5.348 -4.544 1.00 0.00 H new ATOM 0 HG SER A 80 14.224 4.108 -3.000 1.00 0.00 H new ATOM 1253 N ASN A 81 10.291 6.075 -5.135 1.00 0.00 N ATOM 1254 CA ASN A 81 9.651 6.642 -6.310 1.00 0.00 C ATOM 1255 C ASN A 81 8.133 6.613 -6.121 1.00 0.00 C ATOM 1256 O ASN A 81 7.626 5.919 -5.242 1.00 0.00 O ATOM 1257 CB ASN A 81 9.987 5.833 -7.564 1.00 0.00 C ATOM 1258 CG ASN A 81 11.468 5.968 -7.923 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.927 6.991 -8.402 1.00 0.00 O ATOM 1260 ND2 ASN A 81 12.188 4.879 -7.665 1.00 0.00 N ATOM 0 H ASN A 81 10.163 5.069 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 81 10.012 7.663 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.743 4.783 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.374 6.176 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 81 13.187 4.868 -7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.741 4.055 -7.263 1.00 0.00 H new ATOM 1267 N LYS A 82 7.450 7.376 -6.962 1.00 0.00 N ATOM 1268 CA LYS A 82 6.000 7.447 -6.900 1.00 0.00 C ATOM 1269 C LYS A 82 5.434 6.042 -6.683 1.00 0.00 C ATOM 1270 O LYS A 82 4.713 5.802 -5.716 1.00 0.00 O ATOM 1271 CB LYS A 82 5.444 8.150 -8.140 1.00 0.00 C ATOM 1272 CG LYS A 82 5.415 9.667 -7.943 1.00 0.00 C ATOM 1273 CD LYS A 82 4.364 10.317 -8.845 1.00 0.00 C ATOM 1274 CE LYS A 82 4.903 11.600 -9.480 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.542 11.660 -10.914 1.00 0.00 N ATOM 0 H LYS A 82 7.874 7.951 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 82 5.684 8.053 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.057 7.904 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.437 7.787 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.197 9.898 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.397 10.085 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.068 9.617 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.470 10.543 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.498 12.468 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.987 11.640 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.916 12.537 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.950 10.841 -11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.507 11.644 -11.012 1.00 0.00 H new ATOM 1289 N LYS A 83 5.782 5.151 -7.600 1.00 0.00 N ATOM 1290 CA LYS A 83 5.317 3.777 -7.522 1.00 0.00 C ATOM 1291 C LYS A 83 5.470 3.272 -6.085 1.00 0.00 C ATOM 1292 O LYS A 83 4.478 3.083 -5.382 1.00 0.00 O ATOM 1293 CB LYS A 83 6.035 2.909 -8.557 1.00 0.00 C ATOM 1294 CG LYS A 83 5.168 2.711 -9.803 1.00 0.00 C ATOM 1295 CD LYS A 83 4.188 1.552 -9.611 1.00 0.00 C ATOM 1296 CE LYS A 83 3.454 1.233 -10.914 1.00 0.00 C ATOM 1297 NZ LYS A 83 2.494 2.309 -11.245 1.00 0.00 N ATOM 0 H LYS A 83 6.380 5.354 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 83 4.257 3.719 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.979 3.377 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.276 1.940 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.616 3.627 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.805 2.515 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.727 0.669 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.466 1.807 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.173 1.118 -11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.927 0.284 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.980 2.060 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.817 2.423 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.009 3.201 -11.390 1.00 0.00 H new ATOM 1311 N LEU A 84 6.719 3.070 -5.692 1.00 0.00 N ATOM 1312 CA LEU A 84 7.013 2.591 -4.352 1.00 0.00 C ATOM 1313 C LEU A 84 6.084 3.283 -3.353 1.00 0.00 C ATOM 1314 O LEU A 84 5.135 2.675 -2.859 1.00 0.00 O ATOM 1315 CB LEU A 84 8.499 2.769 -4.035 1.00 0.00 C ATOM 1316 CG LEU A 84 9.450 1.767 -4.692 1.00 0.00 C ATOM 1317 CD1 LEU A 84 9.077 0.331 -4.317 1.00 0.00 C ATOM 1318 CD2 LEU A 84 9.500 1.970 -6.207 1.00 0.00 C ATOM 0 H LEU A 84 7.539 3.229 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 84 6.820 1.521 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.797 3.773 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.629 2.709 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 84 10.455 1.949 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.768 -0.362 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.135 0.211 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.061 0.120 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.183 1.245 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.503 1.831 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.849 2.979 -6.428 1.00 0.00 H new ATOM 1330 N ALA A 85 6.389 4.544 -3.084 1.00 0.00 N ATOM 1331 CA ALA A 85 5.593 5.324 -2.152 1.00 0.00 C ATOM 1332 C ALA A 85 4.122 4.927 -2.288 1.00 0.00 C ATOM 1333 O ALA A 85 3.541 4.355 -1.367 1.00 0.00 O ATOM 1334 CB ALA A 85 5.821 6.815 -2.409 1.00 0.00 C ATOM 0 H ALA A 85 7.177 5.045 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 85 5.896 5.120 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.224 7.400 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.876 7.051 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.526 7.058 -3.430 1.00 0.00 H new ATOM 1340 N ALA A 86 3.560 5.248 -3.445 1.00 0.00 N ATOM 1341 CA ALA A 86 2.168 4.932 -3.714 1.00 0.00 C ATOM 1342 C ALA A 86 1.843 3.550 -3.144 1.00 0.00 C ATOM 1343 O ALA A 86 1.004 3.423 -2.254 1.00 0.00 O ATOM 1344 CB ALA A 86 1.906 5.017 -5.219 1.00 0.00 C ATOM 0 H ALA A 86 4.044 5.724 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 86 1.511 5.653 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.861 4.780 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.123 6.026 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.547 4.306 -5.741 1.00 0.00 H new ATOM 1350 N GLN A 87 2.526 2.548 -3.680 1.00 0.00 N ATOM 1351 CA GLN A 87 2.321 1.180 -3.235 1.00 0.00 C ATOM 1352 C GLN A 87 2.176 1.133 -1.712 1.00 0.00 C ATOM 1353 O GLN A 87 1.106 0.813 -1.197 1.00 0.00 O ATOM 1354 CB GLN A 87 3.460 0.274 -3.706 1.00 0.00 C ATOM 1355 CG GLN A 87 3.003 -0.630 -4.853 1.00 0.00 C ATOM 1356 CD GLN A 87 4.053 -1.700 -5.158 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.754 -2.873 -5.315 1.00 0.00 O ATOM 1358 NE2 GLN A 87 5.296 -1.233 -5.233 1.00 0.00 N ATOM 0 H GLN A 87 3.222 2.657 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 87 1.398 0.808 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.303 0.883 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.811 -0.337 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.058 -1.106 -4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.821 -0.029 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.477 -0.239 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.068 -1.869 -5.432 1.00 0.00 H new ATOM 1367 N SER A 88 3.268 1.457 -1.036 1.00 0.00 N ATOM 1368 CA SER A 88 3.276 1.456 0.417 1.00 0.00 C ATOM 1369 C SER A 88 1.976 2.063 0.948 1.00 0.00 C ATOM 1370 O SER A 88 1.306 1.465 1.789 1.00 0.00 O ATOM 1371 CB SER A 88 4.482 2.223 0.962 1.00 0.00 C ATOM 1372 OG SER A 88 5.684 1.888 0.274 1.00 0.00 O ATOM 0 H SER A 88 4.153 1.722 -1.467 1.00 0.00 H new ATOM 0 HA SER A 88 3.353 0.423 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.300 3.294 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.600 2.006 2.024 1.00 0.00 H new ATOM 0 HG SER A 88 6.430 2.400 0.651 1.00 0.00 H new ATOM 1378 N CYS A 89 1.658 3.242 0.436 1.00 0.00 N ATOM 1379 CA CYS A 89 0.450 3.937 0.848 1.00 0.00 C ATOM 1380 C CYS A 89 -0.729 2.971 0.714 1.00 0.00 C ATOM 1381 O CYS A 89 -1.378 2.637 1.704 1.00 0.00 O ATOM 1382 CB CYS A 89 0.232 5.219 0.042 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.525 6.504 1.102 1.00 0.00 S ATOM 0 H CYS A 89 2.216 3.735 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 89 0.545 4.251 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.183 5.576 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.412 5.015 -0.813 1.00 0.00 H new ATOM 0 HG CYS A 89 0.385 7.359 1.464 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.970 2.549 -0.519 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.059 1.628 -0.795 1.00 0.00 C ATOM 1391 C ALA A 90 -2.066 0.522 0.262 1.00 0.00 C ATOM 1392 O ALA A 90 -2.965 0.464 1.100 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.915 1.077 -2.215 1.00 0.00 C ATOM 0 H ALA A 90 -0.430 2.828 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.019 2.142 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.732 0.386 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.946 1.900 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.964 0.552 -2.307 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.053 -0.329 0.189 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.931 -1.430 1.129 1.00 0.00 C ATOM 1401 C LEU A 91 -1.266 -0.934 2.536 1.00 0.00 C ATOM 1402 O LEU A 91 -1.845 -1.667 3.336 1.00 0.00 O ATOM 1403 CB LEU A 91 0.450 -2.079 1.018 1.00 0.00 C ATOM 1404 CG LEU A 91 0.737 -3.219 1.997 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.110 -4.450 1.668 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.231 -3.545 2.038 1.00 0.00 C ATOM 0 H LEU A 91 -0.309 -0.278 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.647 -2.216 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.570 -2.459 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.205 -1.306 1.160 1.00 0.00 H new ATOM 0 HG LEU A 91 0.453 -2.890 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.113 -5.246 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.167 -4.192 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.120 -4.790 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.407 -4.359 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.565 -3.846 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.787 -2.663 2.357 1.00 0.00 H new ATOM 1418 N SER A 92 -0.888 0.309 2.796 1.00 0.00 N ATOM 1419 CA SER A 92 -1.141 0.913 4.093 1.00 0.00 C ATOM 1420 C SER A 92 -2.645 0.933 4.377 1.00 0.00 C ATOM 1421 O SER A 92 -3.088 0.474 5.428 1.00 0.00 O ATOM 1422 CB SER A 92 -0.570 2.331 4.162 1.00 0.00 C ATOM 1423 OG SER A 92 -0.121 2.662 5.473 1.00 0.00 O ATOM 0 H SER A 92 -0.408 0.915 2.130 1.00 0.00 H new ATOM 0 HA SER A 92 -0.642 0.312 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.259 2.422 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.332 3.044 3.849 1.00 0.00 H new ATOM 0 HG SER A 92 0.238 3.574 5.475 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.388 1.469 3.420 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.832 1.555 3.554 1.00 0.00 C ATOM 1431 C LEU A 93 -5.430 0.148 3.493 1.00 0.00 C ATOM 1432 O LEU A 93 -6.364 -0.167 4.229 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.411 2.515 2.512 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.876 3.947 2.550 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.698 4.429 3.992 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.583 4.071 1.741 1.00 0.00 C ATOM 0 H LEU A 93 -3.017 1.848 2.549 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.100 1.974 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.220 2.103 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.493 2.549 2.640 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.613 4.599 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.316 5.450 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.659 4.402 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.992 3.779 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.224 5.099 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.828 3.405 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.775 3.797 0.704 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.867 -0.662 2.607 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.333 -2.028 2.440 1.00 0.00 C ATOM 1450 C VAL A 94 -5.324 -2.735 3.797 1.00 0.00 C ATOM 1451 O VAL A 94 -6.363 -3.198 4.266 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.485 -2.745 1.388 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -4.982 -4.175 1.164 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.463 -1.960 0.074 1.00 0.00 C ATOM 0 H VAL A 94 -4.093 -0.398 1.998 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.360 -2.039 2.074 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.463 -2.801 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.362 -4.662 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.922 -4.732 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.017 -4.151 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.853 -2.491 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.479 -1.859 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.040 -0.970 0.248 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.141 -2.795 4.390 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.984 -3.437 5.683 1.00 0.00 C ATOM 1466 C ARG A 95 -5.034 -2.917 6.666 1.00 0.00 C ATOM 1467 O ARG A 95 -5.820 -3.692 7.208 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.588 -3.185 6.258 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.684 -4.403 6.059 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.332 -3.993 5.473 1.00 0.00 C ATOM 1471 NE ARG A 95 0.704 -4.009 6.530 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.258 -5.126 7.021 1.00 0.00 C ATOM 1473 NH1 ARG A 95 0.880 -6.323 6.553 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.191 -5.045 7.979 1.00 0.00 N ATOM 0 H ARG A 95 -3.282 -2.409 3.998 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.117 -4.509 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.143 -2.315 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.665 -2.955 7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.533 -4.908 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.171 -5.117 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.053 -4.674 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.403 -2.997 5.037 1.00 0.00 H new ATOM 0 HE ARG A 95 1.016 -3.114 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.170 -6.384 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.302 -7.173 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.479 -4.133 8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.613 -5.895 8.353 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.014 -1.607 6.865 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.955 -0.973 7.773 1.00 0.00 C ATOM 1490 C GLN A 96 -7.385 -1.403 7.440 1.00 0.00 C ATOM 1491 O GLN A 96 -8.155 -1.754 8.333 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.817 0.550 7.731 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.957 1.055 8.892 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.517 1.306 8.438 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -2.595 0.589 8.787 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.378 2.364 7.643 1.00 0.00 N ATOM 0 H GLN A 96 -4.361 -0.967 6.413 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.725 -1.298 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.370 0.852 6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.804 1.010 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.382 1.976 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.965 0.324 9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.193 2.922 7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.456 2.617 7.287 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.697 -1.363 6.153 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.021 -1.744 5.691 1.00 0.00 C ATOM 1507 C LEU A 97 -9.355 -3.142 6.214 1.00 0.00 C ATOM 1508 O LEU A 97 -10.401 -3.345 6.830 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.114 -1.618 4.169 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.183 -0.193 3.617 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.775 -0.155 2.143 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.569 0.416 3.844 1.00 0.00 C ATOM 0 H LEU A 97 -7.055 -1.072 5.415 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.774 -1.065 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.249 -2.115 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.998 -2.160 3.833 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.467 0.420 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.833 0.870 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.753 -0.521 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.448 -0.787 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.591 1.429 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.320 -0.191 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.783 0.444 4.912 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.448 -4.071 5.950 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.634 -5.445 6.386 1.00 0.00 C ATOM 1526 C TYR A 98 -8.826 -5.517 7.902 1.00 0.00 C ATOM 1527 O TYR A 98 -9.855 -5.992 8.379 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.349 -6.184 6.010 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.291 -7.628 6.514 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.856 -8.642 5.767 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.675 -7.915 7.715 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.802 -10.001 6.241 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -6.621 -9.274 8.189 1.00 0.00 C ATOM 1534 CZ TYR A 98 -7.187 -10.250 7.429 1.00 0.00 C ATOM 1535 OH TYR A 98 -7.136 -11.533 7.877 1.00 0.00 O ATOM 0 H TYR A 98 -7.582 -3.899 5.439 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.518 -5.880 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.247 -6.184 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.496 -5.636 6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.338 -8.416 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.234 -7.121 8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.240 -10.804 5.667 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.142 -9.513 9.127 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.666 -11.561 8.737 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.818 -5.039 8.617 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.862 -5.044 10.069 1.00 0.00 C ATOM 1547 C HIS A 99 -9.220 -4.521 10.543 1.00 0.00 C ATOM 1548 O HIS A 99 -9.959 -5.231 11.223 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.687 -4.254 10.651 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.100 -3.074 11.497 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -8.009 -3.177 12.536 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.717 -1.765 11.449 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.160 -1.978 13.080 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.359 -1.105 12.404 1.00 0.00 N ATOM 0 H HIS A 99 -6.966 -4.646 8.217 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.756 -6.065 10.436 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.075 -4.924 11.255 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.060 -3.900 9.833 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.011 -1.339 10.752 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.804 -1.735 13.912 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.269 -0.108 12.601 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.507 -3.284 10.165 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.762 -2.658 10.543 1.00 0.00 C ATOM 1564 C LEU A 100 -11.918 -3.605 10.213 1.00 0.00 C ATOM 1565 O LEU A 100 -12.800 -3.826 11.041 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.891 -1.280 9.892 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.147 -0.138 10.588 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.834 0.992 9.604 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.925 0.362 11.806 1.00 0.00 C ATOM 0 H LEU A 100 -8.891 -2.698 9.601 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.791 -2.481 11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.531 -1.350 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.949 -1.021 9.842 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.194 -0.523 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.305 1.791 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.210 0.609 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.764 1.382 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.374 1.173 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.903 0.724 11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.053 -0.455 12.516 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.876 -4.138 9.000 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.909 -5.055 8.550 1.00 0.00 C ATOM 1583 C GLY A 101 -13.663 -4.485 7.347 1.00 0.00 C ATOM 1584 O GLY A 101 -14.892 -4.458 7.336 1.00 0.00 O ATOM 0 H GLY A 101 -11.143 -3.952 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.460 -6.011 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.608 -5.248 9.364 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.893 -4.043 6.363 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.473 -3.475 5.158 1.00 0.00 C ATOM 1590 C VAL A 102 -13.201 -4.409 3.977 1.00 0.00 C ATOM 1591 O VAL A 102 -14.089 -4.663 3.165 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.936 -2.059 4.936 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.441 -1.483 3.612 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.302 -1.145 6.107 1.00 0.00 C ATOM 0 H VAL A 102 -11.873 -4.067 6.376 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.555 -3.386 5.260 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.849 -2.117 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.045 -0.476 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.108 -2.116 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.530 -1.446 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.909 -0.145 5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.386 -1.096 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.872 -1.542 7.027 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.969 -4.894 3.919 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.569 -5.794 2.851 1.00 0.00 C ATOM 1606 C ILE A 103 -11.435 -7.212 3.409 1.00 0.00 C ATOM 1607 O ILE A 103 -11.762 -7.461 4.568 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.301 -5.281 2.165 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.211 -4.966 3.191 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.611 -4.079 1.270 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.869 -4.707 2.503 1.00 0.00 C ATOM 0 H ILE A 103 -11.235 -4.681 4.594 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.333 -5.827 2.074 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.917 -6.072 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.499 -4.092 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.112 -5.798 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.693 -3.733 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.329 -4.371 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.032 -3.275 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.111 -4.485 3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.573 -5.591 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.966 -3.859 1.825 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.953 -8.106 2.557 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.771 -9.493 2.951 1.00 0.00 C ATOM 1625 C GLU A 104 -9.492 -10.057 2.331 1.00 0.00 C ATOM 1626 O GLU A 104 -9.111 -9.673 1.226 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.987 -10.336 2.562 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.246 -10.265 1.056 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.658 -9.753 0.766 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.800 -8.517 0.646 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.563 -10.610 0.669 1.00 0.00 O ATOM 0 H GLU A 104 -10.683 -7.897 1.596 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.674 -9.533 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.825 -11.372 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.866 -9.984 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.514 -9.607 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.116 -11.253 0.614 1.00 0.00 H new