USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 525 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 Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -4.05! C(o=-4!,f=-11!) USER MOD Single : A 23 MET CE :methyl -136:sc= -3.91 (180deg=-6.86!) USER MOD Single : A 26 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.5) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -5.05! USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.829 (180deg=-2.14!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -131:sc= -1.72 (180deg=-4.54!) USER MOD Single : A 51 SER OG : rot -49:sc= 0.00704 USER MOD Single : A 57 THR OG1 : rot 69:sc= 0.224 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 SER OG : rot -160:sc= -0.664 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.05) USER MOD Single : A 72 HIS : no HE2:sc= -3.24! C(o=-3.2!,f=-4.4!) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc=-0.000537 (180deg=-0.942) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 81 MET CE :methyl 179:sc= -0.304 (180deg=-0.311) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.903 -13.185 -1.441 1.00 0.00 N ATOM 237 CA LEU A 18 -9.795 -11.927 -0.709 1.00 0.00 C ATOM 238 C LEU A 18 -8.381 -11.362 -0.803 1.00 0.00 C ATOM 239 O LEU A 18 -8.193 -10.174 -1.063 1.00 0.00 O ATOM 240 CB LEU A 18 -10.178 -12.133 0.758 1.00 0.00 C ATOM 241 CG LEU A 18 -9.398 -13.213 1.509 1.00 0.00 C ATOM 242 CD1 LEU A 18 -8.164 -12.618 2.170 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.286 -13.888 2.544 1.00 0.00 C ATOM 0 HA LEU A 18 -10.483 -11.212 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.047 -11.187 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.239 -12.380 0.805 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.073 -13.966 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.622 -13.401 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.518 -12.181 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.467 -11.845 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.715 -14.654 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.641 -13.146 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.139 -14.349 2.046 1.00 0.00 H new ATOM 255 N MET A 19 -7.391 -12.223 -0.592 1.00 0.00 N ATOM 256 CA MET A 19 -5.994 -11.809 -0.656 1.00 0.00 C ATOM 257 C MET A 19 -5.718 -11.023 -1.934 1.00 0.00 C ATOM 258 O MET A 19 -4.736 -10.287 -2.021 1.00 0.00 O ATOM 259 CB MET A 19 -5.075 -13.031 -0.586 1.00 0.00 C ATOM 260 CG MET A 19 -5.116 -13.894 -1.837 1.00 0.00 C ATOM 261 SD MET A 19 -6.433 -15.124 -1.788 1.00 0.00 S ATOM 262 CE MET A 19 -7.111 -14.959 -3.438 1.00 0.00 C ATOM 0 H MET A 19 -7.530 -13.210 -0.376 1.00 0.00 H new ATOM 0 HA MET A 19 -5.793 -11.162 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.051 -12.696 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.357 -13.638 0.274 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.252 -13.256 -2.710 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.157 -14.398 -1.958 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.938 -15.658 -3.563 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.471 -13.940 -3.583 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.337 -15.179 -4.173 1.00 0.00 H new ATOM 272 N ASN A 20 -6.590 -11.185 -2.924 1.00 0.00 N ATOM 273 CA ASN A 20 -6.439 -10.491 -4.197 1.00 0.00 C ATOM 274 C ASN A 20 -6.250 -8.993 -3.981 1.00 0.00 C ATOM 275 O ASN A 20 -5.314 -8.392 -4.507 1.00 0.00 O ATOM 276 CB ASN A 20 -7.660 -10.740 -5.085 1.00 0.00 C ATOM 277 CG ASN A 20 -7.317 -10.708 -6.562 1.00 0.00 C ATOM 278 OD1 ASN A 20 -6.806 -9.709 -7.070 1.00 0.00 O ATOM 279 ND2 ASN A 20 -7.598 -11.803 -7.258 1.00 0.00 N ATOM 0 H ASN A 20 -7.409 -11.791 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.551 -10.883 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.095 -11.708 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.419 -9.986 -4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.390 -11.840 -8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.021 -12.607 -6.795 1.00 0.00 H new ATOM 286 N ALA A 21 -7.147 -8.395 -3.202 1.00 0.00 N ATOM 287 CA ALA A 21 -7.077 -6.968 -2.914 1.00 0.00 C ATOM 288 C ALA A 21 -5.631 -6.508 -2.762 1.00 0.00 C ATOM 289 O ALA A 21 -5.227 -5.496 -3.336 1.00 0.00 O ATOM 290 CB ALA A 21 -7.871 -6.645 -1.657 1.00 0.00 C ATOM 0 H ALA A 21 -7.930 -8.877 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.514 -6.430 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.810 -5.576 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.913 -6.928 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.459 -7.199 -0.814 1.00 0.00 H new ATOM 296 N LEU A 22 -4.856 -7.256 -1.985 1.00 0.00 N ATOM 297 CA LEU A 22 -3.454 -6.925 -1.756 1.00 0.00 C ATOM 298 C LEU A 22 -2.697 -6.821 -3.077 1.00 0.00 C ATOM 299 O LEU A 22 -2.045 -5.814 -3.352 1.00 0.00 O ATOM 300 CB LEU A 22 -2.799 -7.979 -0.862 1.00 0.00 C ATOM 301 CG LEU A 22 -2.864 -7.716 0.643 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.525 -8.978 1.421 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.925 -6.582 1.027 1.00 0.00 C ATOM 0 H LEU A 22 -5.175 -8.096 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.412 -5.957 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.270 -8.941 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.752 -8.071 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.882 -7.420 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.576 -8.771 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.237 -9.763 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.518 -9.305 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.984 -6.409 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.903 -6.849 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.214 -5.675 0.497 1.00 0.00 H new ATOM 315 N MET A 23 -2.790 -7.868 -3.890 1.00 0.00 N ATOM 316 CA MET A 23 -2.116 -7.893 -5.183 1.00 0.00 C ATOM 317 C MET A 23 -2.474 -6.659 -6.006 1.00 0.00 C ATOM 318 O MET A 23 -1.612 -6.061 -6.652 1.00 0.00 O ATOM 319 CB MET A 23 -2.492 -9.160 -5.954 1.00 0.00 C ATOM 320 CG MET A 23 -1.595 -10.348 -5.644 1.00 0.00 C ATOM 321 SD MET A 23 -1.916 -11.054 -4.016 1.00 0.00 S ATOM 322 CE MET A 23 -3.337 -12.086 -4.368 1.00 0.00 C ATOM 0 H MET A 23 -3.325 -8.710 -3.677 1.00 0.00 H new ATOM 0 HA MET A 23 -1.041 -7.890 -5.004 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.524 -9.424 -5.722 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.449 -8.951 -7.023 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.740 -11.116 -6.404 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.552 -10.036 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.081 -11.962 -3.581 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.770 -11.795 -5.325 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.026 -13.130 -4.413 1.00 0.00 H new ATOM 332 N ARG A 24 -3.748 -6.283 -5.978 1.00 0.00 N ATOM 333 CA ARG A 24 -4.219 -5.121 -6.723 1.00 0.00 C ATOM 334 C ARG A 24 -3.395 -3.884 -6.377 1.00 0.00 C ATOM 335 O ARG A 24 -2.723 -3.312 -7.237 1.00 0.00 O ATOM 336 CB ARG A 24 -5.697 -4.863 -6.425 1.00 0.00 C ATOM 337 CG ARG A 24 -6.644 -5.601 -7.356 1.00 0.00 C ATOM 338 CD ARG A 24 -6.575 -7.105 -7.143 1.00 0.00 C ATOM 339 NE ARG A 24 -5.505 -7.720 -7.924 1.00 0.00 N ATOM 340 CZ ARG A 24 -5.587 -7.950 -9.230 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.683 -7.617 -9.897 1.00 0.00 N ATOM 342 NH2 ARG A 24 -4.571 -8.514 -9.871 1.00 0.00 N ATOM 0 H ARG A 24 -4.473 -6.766 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.101 -5.329 -7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.908 -5.158 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.892 -3.793 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.664 -5.255 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.394 -5.367 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.418 -7.314 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.529 -7.554 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.648 -7.988 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.466 -7.183 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.744 -7.795 -10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.726 -8.771 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.635 -8.690 -10.874 1.00 0.00 H new ATOM 356 N LEU A 25 -3.452 -3.476 -5.114 1.00 0.00 N ATOM 357 CA LEU A 25 -2.712 -2.306 -4.654 1.00 0.00 C ATOM 358 C LEU A 25 -1.310 -2.278 -5.255 1.00 0.00 C ATOM 359 O LEU A 25 -0.843 -1.238 -5.718 1.00 0.00 O ATOM 360 CB LEU A 25 -2.625 -2.301 -3.127 1.00 0.00 C ATOM 361 CG LEU A 25 -2.535 -0.926 -2.465 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.823 -0.145 -2.678 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.236 -1.068 -0.979 1.00 0.00 C ATOM 0 H LEU A 25 -4.003 -3.938 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.247 -1.415 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.500 -2.816 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.752 -2.883 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.718 -0.374 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.740 0.831 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.996 -0.012 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.658 -0.693 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.175 -0.079 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.032 -1.639 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.287 -1.587 -0.847 1.00 0.00 H new ATOM 375 N ASN A 26 -0.644 -3.428 -5.246 1.00 0.00 N ATOM 376 CA ASN A 26 0.704 -3.536 -5.791 1.00 0.00 C ATOM 377 C ASN A 26 0.686 -3.423 -7.313 1.00 0.00 C ATOM 378 O ASN A 26 1.546 -2.774 -7.906 1.00 0.00 O ATOM 379 CB ASN A 26 1.341 -4.863 -5.375 1.00 0.00 C ATOM 380 CG ASN A 26 1.794 -4.858 -3.928 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.533 -3.970 -3.500 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.353 -5.852 -3.166 1.00 0.00 N ATOM 0 H ASN A 26 -1.016 -4.299 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 26 1.298 -2.715 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.624 -5.670 -5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.195 -5.071 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.625 -5.901 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.742 -6.566 -3.563 1.00 0.00 H new ATOM 389 N GLN A 27 -0.301 -4.058 -7.936 1.00 0.00 N ATOM 390 CA GLN A 27 -0.431 -4.029 -9.388 1.00 0.00 C ATOM 391 C GLN A 27 -0.576 -2.597 -9.893 1.00 0.00 C ATOM 392 O GLN A 27 0.133 -2.177 -10.808 1.00 0.00 O ATOM 393 CB GLN A 27 -1.635 -4.862 -9.830 1.00 0.00 C ATOM 394 CG GLN A 27 -1.374 -6.360 -9.824 1.00 0.00 C ATOM 395 CD GLN A 27 -0.596 -6.822 -11.041 1.00 0.00 C ATOM 396 OE1 GLN A 27 -1.142 -6.921 -12.140 1.00 0.00 O ATOM 397 NE2 GLN A 27 0.687 -7.106 -10.851 1.00 0.00 N ATOM 0 H GLN A 27 -1.022 -4.599 -7.458 1.00 0.00 H new ATOM 0 HA GLN A 27 0.475 -4.457 -9.817 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.477 -4.646 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.928 -4.557 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.822 -6.625 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.325 -6.891 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.099 -7.010 -9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.261 -7.420 -11.633 1.00 0.00 H new ATOM 406 N ILE A 28 -1.498 -1.853 -9.291 1.00 0.00 N ATOM 407 CA ILE A 28 -1.734 -0.468 -9.680 1.00 0.00 C ATOM 408 C ILE A 28 -0.699 0.462 -9.056 1.00 0.00 C ATOM 409 O ILE A 28 -0.307 1.462 -9.657 1.00 0.00 O ATOM 410 CB ILE A 28 -3.143 -0.001 -9.268 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.421 -0.371 -7.809 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.193 -0.612 -10.184 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.488 0.484 -7.162 1.00 0.00 C ATOM 0 H ILE A 28 -2.093 -2.186 -8.533 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.649 -0.425 -10.766 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.192 1.084 -9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.725 -1.417 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.498 -0.280 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.183 -0.272 -9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.003 -0.303 -11.212 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.146 -1.699 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.633 0.166 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.177 1.529 -7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.424 0.374 -7.710 1.00 0.00 H new ATOM 425 N ARG A 29 -0.261 0.125 -7.848 1.00 0.00 N ATOM 426 CA ARG A 29 0.730 0.930 -7.143 1.00 0.00 C ATOM 427 C ARG A 29 1.900 0.067 -6.678 1.00 0.00 C ATOM 428 O ARG A 29 1.900 -0.479 -5.575 1.00 0.00 O ATOM 429 CB ARG A 29 0.089 1.629 -5.942 1.00 0.00 C ATOM 430 CG ARG A 29 -1.070 2.539 -6.315 1.00 0.00 C ATOM 431 CD ARG A 29 -0.589 3.785 -7.042 1.00 0.00 C ATOM 432 NE ARG A 29 -0.013 4.765 -6.125 1.00 0.00 N ATOM 433 CZ ARG A 29 0.480 5.935 -6.515 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.466 6.269 -7.798 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.988 6.774 -5.621 1.00 0.00 N ATOM 0 H ARG A 29 -0.576 -0.699 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 29 1.108 1.683 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.264 0.875 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.849 2.215 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.772 1.995 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.611 2.828 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.155 3.505 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.424 4.237 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 29 0.012 4.539 -5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.076 5.627 -8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.845 7.168 -8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.000 6.521 -4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.366 7.672 -5.922 1.00 0.00 H new ATOM 449 N PRO A 30 2.921 -0.058 -7.538 1.00 0.00 N ATOM 450 CA PRO A 30 4.116 -0.853 -7.238 1.00 0.00 C ATOM 451 C PRO A 30 4.979 -0.214 -6.155 1.00 0.00 C ATOM 452 O PRO A 30 4.821 0.963 -5.835 1.00 0.00 O ATOM 453 CB PRO A 30 4.867 -0.882 -8.572 1.00 0.00 C ATOM 454 CG PRO A 30 4.416 0.344 -9.287 1.00 0.00 C ATOM 455 CD PRO A 30 2.988 0.565 -8.870 1.00 0.00 C ATOM 0 HA PRO A 30 3.863 -1.841 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.946 -0.877 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.630 -1.781 -9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.037 1.200 -9.023 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.492 0.216 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.741 1.626 -8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.290 0.101 -9.566 1.00 0.00 H new ATOM 463 N GLY A 31 5.893 -1.000 -5.593 1.00 0.00 N ATOM 464 CA GLY A 31 6.768 -0.493 -4.552 1.00 0.00 C ATOM 465 C GLY A 31 6.021 0.312 -3.508 1.00 0.00 C ATOM 466 O GLY A 31 6.114 1.540 -3.476 1.00 0.00 O ATOM 0 H GLY A 31 6.043 -1.978 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.274 -1.328 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.541 0.130 -5.003 1.00 0.00 H new ATOM 470 N LEU A 32 5.276 -0.379 -2.652 1.00 0.00 N ATOM 471 CA LEU A 32 4.507 0.280 -1.602 1.00 0.00 C ATOM 472 C LEU A 32 5.204 0.146 -0.252 1.00 0.00 C ATOM 473 O LEU A 32 6.140 -0.638 -0.101 1.00 0.00 O ATOM 474 CB LEU A 32 3.099 -0.314 -1.523 1.00 0.00 C ATOM 475 CG LEU A 32 2.153 0.049 -2.668 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.037 -0.978 -2.784 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.577 1.443 -2.462 1.00 0.00 C ATOM 0 H LEU A 32 5.188 -1.395 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 32 4.434 1.339 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.186 -1.400 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.643 0.006 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 32 2.721 0.045 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.374 -0.703 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.466 -1.961 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.471 -1.007 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.906 1.685 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.024 1.473 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.388 2.171 -2.429 1.00 0.00 H new ATOM 489 N GLN A 33 4.739 0.916 0.727 1.00 0.00 N ATOM 490 CA GLN A 33 5.317 0.882 2.065 1.00 0.00 C ATOM 491 C GLN A 33 4.225 0.884 3.130 1.00 0.00 C ATOM 492 O GLN A 33 3.500 1.867 3.288 1.00 0.00 O ATOM 493 CB GLN A 33 6.250 2.076 2.271 1.00 0.00 C ATOM 494 CG GLN A 33 5.535 3.418 2.249 1.00 0.00 C ATOM 495 CD GLN A 33 6.464 4.568 1.916 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.015 5.214 2.807 1.00 0.00 O ATOM 497 NE2 GLN A 33 6.642 4.831 0.626 1.00 0.00 N ATOM 0 H GLN A 33 3.964 1.570 0.618 1.00 0.00 H new ATOM 0 HA GLN A 33 5.891 -0.039 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.765 1.964 3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.014 2.068 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.728 3.384 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.076 3.597 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.165 4.270 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.256 5.594 0.341 1.00 0.00 H new ATOM 506 N TYR A 34 4.114 -0.221 3.859 1.00 0.00 N ATOM 507 CA TYR A 34 3.109 -0.347 4.907 1.00 0.00 C ATOM 508 C TYR A 34 3.745 -0.231 6.289 1.00 0.00 C ATOM 509 O TYR A 34 4.807 -0.797 6.547 1.00 0.00 O ATOM 510 CB TYR A 34 2.376 -1.684 4.782 1.00 0.00 C ATOM 511 CG TYR A 34 1.795 -1.930 3.408 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.587 -2.418 2.375 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.456 -1.674 3.142 1.00 0.00 C ATOM 514 CE1 TYR A 34 2.061 -2.644 1.118 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.079 -1.898 1.888 1.00 0.00 C ATOM 516 CZ TYR A 34 0.728 -2.382 0.879 1.00 0.00 C ATOM 517 OH TYR A 34 0.199 -2.606 -0.372 1.00 0.00 O ATOM 0 H TYR A 34 4.708 -1.042 3.743 1.00 0.00 H new ATOM 0 HA TYR A 34 2.393 0.466 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.067 -2.491 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.573 -1.719 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.631 -2.624 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.178 -1.293 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.690 -3.024 0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.123 -1.695 1.699 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.621 -3.137 -0.290 1.00 0.00 H new ATOM 527 N LYS A 35 3.087 0.509 7.176 1.00 0.00 N ATOM 528 CA LYS A 35 3.585 0.700 8.533 1.00 0.00 C ATOM 529 C LYS A 35 2.468 0.509 9.554 1.00 0.00 C ATOM 530 O LYS A 35 1.303 0.802 9.278 1.00 0.00 O ATOM 531 CB LYS A 35 4.194 2.096 8.683 1.00 0.00 C ATOM 532 CG LYS A 35 5.331 2.371 7.714 1.00 0.00 C ATOM 533 CD LYS A 35 6.648 1.813 8.227 1.00 0.00 C ATOM 534 CE LYS A 35 7.355 2.803 9.140 1.00 0.00 C ATOM 535 NZ LYS A 35 6.752 2.831 10.501 1.00 0.00 N ATOM 0 H LYS A 35 2.207 0.986 6.979 1.00 0.00 H new ATOM 0 HA LYS A 35 4.356 -0.048 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.413 2.842 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.560 2.216 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.100 1.928 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.426 3.446 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.465 0.884 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.294 1.569 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.410 2.538 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.307 3.800 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.483 3.074 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.995 3.543 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.356 1.896 10.725 1.00 0.00 H new ATOM 549 N LEU A 36 2.829 0.018 10.734 1.00 0.00 N ATOM 550 CA LEU A 36 1.857 -0.211 11.798 1.00 0.00 C ATOM 551 C LEU A 36 1.798 0.982 12.747 1.00 0.00 C ATOM 552 O LEU A 36 2.629 1.114 13.647 1.00 0.00 O ATOM 553 CB LEU A 36 2.212 -1.479 12.575 1.00 0.00 C ATOM 554 CG LEU A 36 1.073 -2.120 13.369 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.118 -2.851 12.438 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.626 -3.071 14.422 1.00 0.00 C ATOM 0 H LEU A 36 3.788 -0.229 10.979 1.00 0.00 H new ATOM 0 HA LEU A 36 0.876 -0.336 11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.598 -2.217 11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.022 -1.243 13.265 1.00 0.00 H new ATOM 0 HG LEU A 36 0.520 -1.329 13.876 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.686 -3.301 13.021 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.304 -2.145 11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.658 -3.632 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.802 -3.518 14.977 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.204 -3.857 13.935 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.269 -2.520 15.108 1.00 0.00 H new ATOM 568 N LEU A 37 0.811 1.846 12.542 1.00 0.00 N ATOM 569 CA LEU A 37 0.642 3.028 13.381 1.00 0.00 C ATOM 570 C LEU A 37 0.797 2.674 14.856 1.00 0.00 C ATOM 571 O LEU A 37 1.568 3.305 15.578 1.00 0.00 O ATOM 572 CB LEU A 37 -0.731 3.658 13.137 1.00 0.00 C ATOM 573 CG LEU A 37 -0.927 4.335 11.780 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.319 4.939 11.682 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.136 5.402 11.558 1.00 0.00 C ATOM 0 H LEU A 37 0.115 1.751 11.802 1.00 0.00 H new ATOM 0 HA LEU A 37 1.417 3.747 13.115 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.489 2.882 13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.914 4.396 13.918 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.824 3.580 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.441 5.417 10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.066 4.153 11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.450 5.681 12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.019 5.873 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.065 6.155 12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.124 4.942 11.585 1.00 0.00 H new ATOM 587 N SER A 38 0.060 1.660 15.297 1.00 0.00 N ATOM 588 CA SER A 38 0.114 1.223 16.687 1.00 0.00 C ATOM 589 C SER A 38 -0.718 -0.040 16.893 1.00 0.00 C ATOM 590 O SER A 38 -1.594 -0.355 16.089 1.00 0.00 O ATOM 591 CB SER A 38 -0.386 2.333 17.613 1.00 0.00 C ATOM 592 OG SER A 38 -0.106 2.031 18.969 1.00 0.00 O ATOM 0 H SER A 38 -0.582 1.125 14.712 1.00 0.00 H new ATOM 0 HA SER A 38 1.152 0.997 16.930 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.087 3.277 17.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.460 2.465 17.481 1.00 0.00 H new ATOM 0 HG SER A 38 -0.434 2.757 19.540 1.00 0.00 H new ATOM 598 N GLN A 39 -0.435 -0.757 17.976 1.00 0.00 N ATOM 599 CA GLN A 39 -1.156 -1.986 18.287 1.00 0.00 C ATOM 600 C GLN A 39 -1.925 -1.848 19.597 1.00 0.00 C ATOM 601 O GLN A 39 -1.347 -1.531 20.637 1.00 0.00 O ATOM 602 CB GLN A 39 -0.185 -3.164 18.372 1.00 0.00 C ATOM 603 CG GLN A 39 -0.873 -4.506 18.570 1.00 0.00 C ATOM 604 CD GLN A 39 -1.499 -4.644 19.944 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.909 -4.248 20.950 1.00 0.00 O ATOM 606 NE2 GLN A 39 -2.700 -5.207 19.994 1.00 0.00 N ATOM 0 H GLN A 39 0.287 -0.509 18.652 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.871 -2.172 17.485 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.409 -3.201 17.459 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.507 -2.995 19.197 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.644 -4.630 17.810 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.148 -5.307 18.423 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.152 -5.521 19.135 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.171 -5.326 20.891 1.00 0.00 H new ATOM 615 N SER A 40 -3.231 -2.090 19.540 1.00 0.00 N ATOM 616 CA SER A 40 -4.079 -1.989 20.721 1.00 0.00 C ATOM 617 C SER A 40 -4.927 -3.246 20.890 1.00 0.00 C ATOM 618 O SER A 40 -5.274 -3.910 19.914 1.00 0.00 O ATOM 619 CB SER A 40 -4.985 -0.759 20.622 1.00 0.00 C ATOM 620 OG SER A 40 -5.344 -0.285 21.908 1.00 0.00 O ATOM 0 H SER A 40 -3.724 -2.357 18.688 1.00 0.00 H new ATOM 0 HA SER A 40 -3.433 -1.887 21.593 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.474 0.030 20.070 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.884 -1.010 20.060 1.00 0.00 H new ATOM 0 HG SER A 40 -5.921 0.502 21.817 1.00 0.00 H new ATOM 626 N GLY A 41 -5.257 -3.567 22.137 1.00 0.00 N ATOM 627 CA GLY A 41 -6.061 -4.743 22.413 1.00 0.00 C ATOM 628 C GLY A 41 -5.278 -5.827 23.126 1.00 0.00 C ATOM 629 O GLY A 41 -4.088 -5.680 23.407 1.00 0.00 O ATOM 0 H GLY A 41 -4.982 -3.033 22.961 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.918 -4.458 23.023 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.453 -5.139 21.476 1.00 0.00 H new ATOM 633 N PRO A 42 -5.952 -6.945 23.433 1.00 0.00 N ATOM 634 CA PRO A 42 -5.331 -8.079 24.123 1.00 0.00 C ATOM 635 C PRO A 42 -4.322 -8.811 23.245 1.00 0.00 C ATOM 636 O PRO A 42 -4.008 -8.367 22.140 1.00 0.00 O ATOM 637 CB PRO A 42 -6.517 -8.991 24.447 1.00 0.00 C ATOM 638 CG PRO A 42 -7.544 -8.654 23.422 1.00 0.00 C ATOM 639 CD PRO A 42 -7.372 -7.189 23.128 1.00 0.00 C ATOM 0 HA PRO A 42 -4.767 -7.762 25.000 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.234 -10.042 24.394 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.890 -8.812 25.455 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.406 -9.251 22.521 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.548 -8.862 23.792 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.605 -6.957 22.089 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.027 -6.575 23.746 1.00 0.00 H new ATOM 647 N VAL A 43 -3.816 -9.936 23.742 1.00 0.00 N ATOM 648 CA VAL A 43 -2.844 -10.730 23.001 1.00 0.00 C ATOM 649 C VAL A 43 -3.536 -11.708 22.059 1.00 0.00 C ATOM 650 O VAL A 43 -2.969 -12.117 21.045 1.00 0.00 O ATOM 651 CB VAL A 43 -1.921 -11.516 23.951 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.721 -12.532 24.753 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.809 -12.199 23.170 1.00 0.00 C ATOM 0 H VAL A 43 -4.064 -10.317 24.655 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.244 -10.032 22.418 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.465 -10.814 24.649 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.052 -13.078 25.419 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.478 -12.015 25.343 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.206 -13.232 24.073 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.167 -12.750 23.857 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.243 -12.890 22.447 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.219 -11.448 22.645 1.00 0.00 H new ATOM 663 N HIS A 44 -4.767 -12.079 22.399 1.00 0.00 N ATOM 664 CA HIS A 44 -5.538 -13.008 21.582 1.00 0.00 C ATOM 665 C HIS A 44 -6.410 -12.257 20.580 1.00 0.00 C ATOM 666 O HIS A 44 -6.824 -12.813 19.564 1.00 0.00 O ATOM 667 CB HIS A 44 -6.411 -13.897 22.469 1.00 0.00 C ATOM 668 CG HIS A 44 -7.691 -13.246 22.894 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.800 -12.469 24.027 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.921 -13.259 22.329 1.00 0.00 C ATOM 671 CE1 HIS A 44 -9.042 -12.033 24.142 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.742 -12.498 23.124 1.00 0.00 N ATOM 0 H HIS A 44 -5.251 -11.750 23.234 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.837 -13.634 21.029 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.642 -14.817 21.932 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.844 -14.179 23.356 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.204 -13.772 21.422 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.420 -11.403 24.934 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.732 -12.321 22.955 1.00 0.00 H new ATOM 681 N ALA A 45 -6.684 -10.990 20.875 1.00 0.00 N ATOM 682 CA ALA A 45 -7.505 -10.163 20.000 1.00 0.00 C ATOM 683 C ALA A 45 -6.839 -8.817 19.734 1.00 0.00 C ATOM 684 O ALA A 45 -7.452 -7.757 19.867 1.00 0.00 O ATOM 685 CB ALA A 45 -8.885 -9.960 20.608 1.00 0.00 C ATOM 0 H ALA A 45 -6.349 -10.515 21.713 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.613 -10.681 19.047 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.488 -9.340 19.944 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.370 -10.927 20.741 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.788 -9.467 21.575 1.00 0.00 H new ATOM 691 N PRO A 46 -5.555 -8.857 19.349 1.00 0.00 N ATOM 692 CA PRO A 46 -4.778 -7.649 19.055 1.00 0.00 C ATOM 693 C PRO A 46 -5.242 -6.958 17.778 1.00 0.00 C ATOM 694 O PRO A 46 -5.636 -7.613 16.813 1.00 0.00 O ATOM 695 CB PRO A 46 -3.351 -8.177 18.891 1.00 0.00 C ATOM 696 CG PRO A 46 -3.518 -9.599 18.480 1.00 0.00 C ATOM 697 CD PRO A 46 -4.763 -10.086 19.169 1.00 0.00 C ATOM 0 HA PRO A 46 -4.881 -6.897 19.837 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.803 -7.609 18.139 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.790 -8.097 19.822 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.613 -9.684 17.397 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.652 -10.194 18.772 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.295 -10.822 18.566 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.535 -10.561 20.123 1.00 0.00 H new ATOM 705 N VAL A 47 -5.191 -5.630 17.777 1.00 0.00 N ATOM 706 CA VAL A 47 -5.604 -4.849 16.617 1.00 0.00 C ATOM 707 C VAL A 47 -4.408 -4.178 15.952 1.00 0.00 C ATOM 708 O VAL A 47 -3.907 -3.161 16.431 1.00 0.00 O ATOM 709 CB VAL A 47 -6.634 -3.771 17.004 1.00 0.00 C ATOM 710 CG1 VAL A 47 -7.124 -3.033 15.768 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.798 -4.393 17.760 1.00 0.00 C ATOM 0 H VAL A 47 -4.868 -5.072 18.567 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.063 -5.544 15.915 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.149 -3.049 17.661 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.851 -2.275 16.061 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.280 -2.554 15.272 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.593 -3.740 15.084 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.516 -3.617 18.025 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.285 -5.137 17.130 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.429 -4.871 18.667 1.00 0.00 H new ATOM 721 N PHE A 48 -3.954 -4.755 14.844 1.00 0.00 N ATOM 722 CA PHE A 48 -2.815 -4.213 14.112 1.00 0.00 C ATOM 723 C PHE A 48 -3.258 -3.109 13.157 1.00 0.00 C ATOM 724 O PHE A 48 -3.814 -3.378 12.092 1.00 0.00 O ATOM 725 CB PHE A 48 -2.108 -5.324 13.332 1.00 0.00 C ATOM 726 CG PHE A 48 -1.320 -6.260 14.203 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.933 -7.349 14.804 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.032 -6.053 14.421 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.210 -8.212 15.606 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.760 -6.912 15.223 1.00 0.00 C ATOM 731 CZ PHE A 48 0.137 -7.994 15.815 1.00 0.00 C ATOM 0 H PHE A 48 -4.357 -5.597 14.434 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.120 -3.787 14.835 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.851 -5.896 12.776 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.439 -4.873 12.599 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.986 -7.525 14.644 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.524 -5.210 13.959 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.699 -9.057 16.069 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.813 -6.738 15.386 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.703 -8.668 16.440 1.00 0.00 H new ATOM 741 N THR A 49 -3.007 -1.862 13.546 1.00 0.00 N ATOM 742 CA THR A 49 -3.380 -0.716 12.728 1.00 0.00 C ATOM 743 C THR A 49 -2.329 -0.437 11.660 1.00 0.00 C ATOM 744 O THR A 49 -1.201 -0.057 11.971 1.00 0.00 O ATOM 745 CB THR A 49 -3.573 0.549 13.586 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.491 0.282 14.652 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.090 1.703 12.740 1.00 0.00 C ATOM 0 H THR A 49 -2.546 -1.621 14.424 1.00 0.00 H new ATOM 0 HA THR A 49 -4.325 -0.966 12.247 1.00 0.00 H new ATOM 0 HB THR A 49 -2.606 0.830 14.003 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.607 1.090 15.194 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.219 2.585 13.367 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.374 1.922 11.948 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.048 1.429 12.298 1.00 0.00 H new ATOM 755 N MET A 50 -2.706 -0.627 10.400 1.00 0.00 N ATOM 756 CA MET A 50 -1.795 -0.394 9.286 1.00 0.00 C ATOM 757 C MET A 50 -2.083 0.948 8.620 1.00 0.00 C ATOM 758 O MET A 50 -3.119 1.565 8.867 1.00 0.00 O ATOM 759 CB MET A 50 -1.911 -1.522 8.259 1.00 0.00 C ATOM 760 CG MET A 50 -0.954 -2.675 8.513 1.00 0.00 C ATOM 761 SD MET A 50 0.766 -2.231 8.207 1.00 0.00 S ATOM 762 CE MET A 50 1.611 -3.382 9.288 1.00 0.00 C ATOM 0 H MET A 50 -3.636 -0.942 10.125 1.00 0.00 H new ATOM 0 HA MET A 50 -0.778 -0.374 9.679 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.933 -1.901 8.262 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.724 -1.117 7.264 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.061 -3.010 9.545 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.227 -3.516 7.875 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.345 -2.845 9.889 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.886 -3.863 9.945 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.117 -4.139 8.689 1.00 0.00 H new ATOM 772 N SER A 51 -1.160 1.395 7.774 1.00 0.00 N ATOM 773 CA SER A 51 -1.314 2.665 7.076 1.00 0.00 C ATOM 774 C SER A 51 -0.418 2.719 5.842 1.00 0.00 C ATOM 775 O SER A 51 0.724 2.259 5.869 1.00 0.00 O ATOM 776 CB SER A 51 -0.982 3.829 8.011 1.00 0.00 C ATOM 777 OG SER A 51 0.401 3.860 8.317 1.00 0.00 O ATOM 0 H SER A 51 -0.298 0.896 7.556 1.00 0.00 H new ATOM 0 HA SER A 51 -2.352 2.751 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.275 4.769 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.559 3.736 8.931 1.00 0.00 H new ATOM 0 HG SER A 51 0.696 2.966 8.590 1.00 0.00 H new ATOM 783 N VAL A 52 -0.945 3.284 4.760 1.00 0.00 N ATOM 784 CA VAL A 52 -0.195 3.399 3.515 1.00 0.00 C ATOM 785 C VAL A 52 -0.429 4.754 2.856 1.00 0.00 C ATOM 786 O VAL A 52 -1.419 5.429 3.136 1.00 0.00 O ATOM 787 CB VAL A 52 -0.577 2.285 2.524 1.00 0.00 C ATOM 788 CG1 VAL A 52 -1.988 2.500 1.997 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.424 2.222 1.380 1.00 0.00 C ATOM 0 H VAL A 52 -1.889 3.669 4.721 1.00 0.00 H new ATOM 0 HA VAL A 52 0.860 3.300 3.771 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.552 1.331 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.241 1.703 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.692 2.490 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.043 3.461 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.138 1.429 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.434 3.176 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.418 2.016 1.777 1.00 0.00 H new ATOM 799 N ASP A 53 0.488 5.145 1.978 1.00 0.00 N ATOM 800 CA ASP A 53 0.381 6.418 1.276 1.00 0.00 C ATOM 801 C ASP A 53 0.142 6.199 -0.214 1.00 0.00 C ATOM 802 O ASP A 53 1.010 5.694 -0.925 1.00 0.00 O ATOM 803 CB ASP A 53 1.649 7.248 1.486 1.00 0.00 C ATOM 804 CG ASP A 53 2.908 6.405 1.437 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.026 5.567 0.518 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.775 6.583 2.317 1.00 0.00 O ATOM 0 H ASP A 53 1.314 4.598 1.736 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.471 6.960 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.704 8.022 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.592 7.755 2.449 1.00 0.00 H new ATOM 811 N VAL A 54 -1.042 6.583 -0.681 1.00 0.00 N ATOM 812 CA VAL A 54 -1.396 6.428 -2.087 1.00 0.00 C ATOM 813 C VAL A 54 -2.069 7.686 -2.626 1.00 0.00 C ATOM 814 O VAL A 54 -3.026 8.191 -2.037 1.00 0.00 O ATOM 815 CB VAL A 54 -2.334 5.226 -2.301 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.737 5.116 -3.764 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.671 3.942 -1.825 1.00 0.00 C ATOM 0 H VAL A 54 -1.772 7.004 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.467 6.255 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.237 5.383 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.400 4.261 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.254 6.026 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.846 4.982 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.348 3.103 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.751 3.778 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.438 4.025 -0.763 1.00 0.00 H new ATOM 827 N ASP A 55 -1.564 8.186 -3.748 1.00 0.00 N ATOM 828 CA ASP A 55 -2.117 9.385 -4.367 1.00 0.00 C ATOM 829 C ASP A 55 -2.344 10.478 -3.329 1.00 0.00 C ATOM 830 O ASP A 55 -3.405 11.100 -3.289 1.00 0.00 O ATOM 831 CB ASP A 55 -3.432 9.057 -5.077 1.00 0.00 C ATOM 832 CG ASP A 55 -3.741 10.028 -6.200 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.796 10.439 -6.906 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.928 10.375 -6.373 1.00 0.00 O ATOM 0 H ASP A 55 -0.773 7.780 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.398 9.750 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.382 8.045 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.246 9.072 -4.353 1.00 0.00 H new ATOM 839 N GLY A 56 -1.340 10.707 -2.488 1.00 0.00 N ATOM 840 CA GLY A 56 -1.451 11.725 -1.459 1.00 0.00 C ATOM 841 C GLY A 56 -2.603 11.465 -0.508 1.00 0.00 C ATOM 842 O GLY A 56 -3.148 12.395 0.088 1.00 0.00 O ATOM 0 H GLY A 56 -0.452 10.206 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.520 11.769 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.585 12.699 -1.929 1.00 0.00 H new ATOM 846 N THR A 57 -2.977 10.197 -0.366 1.00 0.00 N ATOM 847 CA THR A 57 -4.073 9.818 0.516 1.00 0.00 C ATOM 848 C THR A 57 -3.641 8.732 1.494 1.00 0.00 C ATOM 849 O THR A 57 -3.518 7.563 1.126 1.00 0.00 O ATOM 850 CB THR A 57 -5.291 9.319 -0.284 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.503 10.155 -1.426 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.541 9.309 0.584 1.00 0.00 C ATOM 0 H THR A 57 -2.536 9.415 -0.851 1.00 0.00 H new ATOM 0 HA THR A 57 -4.355 10.712 1.072 1.00 0.00 H new ATOM 0 HB THR A 57 -5.089 8.300 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.773 10.025 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.388 8.953 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.387 8.648 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.745 10.319 0.940 1.00 0.00 H new ATOM 860 N THR A 58 -3.412 9.123 2.744 1.00 0.00 N ATOM 861 CA THR A 58 -2.993 8.182 3.775 1.00 0.00 C ATOM 862 C THR A 58 -4.181 7.395 4.317 1.00 0.00 C ATOM 863 O THR A 58 -5.045 7.948 4.997 1.00 0.00 O ATOM 864 CB THR A 58 -2.294 8.903 4.943 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.264 9.763 4.442 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.695 7.901 5.917 1.00 0.00 C ATOM 0 H THR A 58 -3.510 10.086 3.067 1.00 0.00 H new ATOM 0 HA THR A 58 -2.288 7.495 3.308 1.00 0.00 H new ATOM 0 HB THR A 58 -3.039 9.498 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.826 10.219 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.207 8.434 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.485 7.267 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.963 7.283 5.398 1.00 0.00 H new ATOM 874 N TYR A 59 -4.217 6.103 4.011 1.00 0.00 N ATOM 875 CA TYR A 59 -5.301 5.241 4.466 1.00 0.00 C ATOM 876 C TYR A 59 -4.942 4.565 5.786 1.00 0.00 C ATOM 877 O TYR A 59 -3.767 4.423 6.123 1.00 0.00 O ATOM 878 CB TYR A 59 -5.617 4.182 3.408 1.00 0.00 C ATOM 879 CG TYR A 59 -6.157 4.758 2.118 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.303 5.290 1.160 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.522 4.769 1.858 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.793 5.817 -0.019 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.020 5.293 0.681 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.152 5.817 -0.254 1.00 0.00 C ATOM 885 OH TYR A 59 -7.643 6.340 -1.428 1.00 0.00 O ATOM 0 H TYR A 59 -3.508 5.630 3.450 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.183 5.862 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.712 3.615 3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.344 3.479 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.238 5.292 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.205 4.361 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.115 6.227 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.084 5.292 0.494 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.980 6.224 -2.140 1.00 0.00 H new ATOM 895 N GLU A 60 -5.963 4.150 6.528 1.00 0.00 N ATOM 896 CA GLU A 60 -5.756 3.489 7.811 1.00 0.00 C ATOM 897 C GLU A 60 -6.795 2.394 8.034 1.00 0.00 C ATOM 898 O GLU A 60 -7.998 2.639 7.949 1.00 0.00 O ATOM 899 CB GLU A 60 -5.821 4.508 8.951 1.00 0.00 C ATOM 900 CG GLU A 60 -4.913 5.709 8.746 1.00 0.00 C ATOM 901 CD GLU A 60 -5.339 6.909 9.569 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.556 7.180 9.637 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.455 7.577 10.144 1.00 0.00 O ATOM 0 H GLU A 60 -6.942 4.260 6.263 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.767 3.030 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.849 4.854 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.551 4.014 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.891 5.436 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.908 5.980 7.690 1.00 0.00 H new ATOM 910 N ALA A 61 -6.321 1.185 8.318 1.00 0.00 N ATOM 911 CA ALA A 61 -7.208 0.053 8.554 1.00 0.00 C ATOM 912 C ALA A 61 -6.549 -0.981 9.461 1.00 0.00 C ATOM 913 O ALA A 61 -5.462 -1.477 9.166 1.00 0.00 O ATOM 914 CB ALA A 61 -7.613 -0.584 7.233 1.00 0.00 C ATOM 0 H ALA A 61 -5.328 0.965 8.390 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.102 0.422 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.275 -1.428 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.131 0.152 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.723 -0.933 6.709 1.00 0.00 H new ATOM 920 N SER A 62 -7.214 -1.300 10.567 1.00 0.00 N ATOM 921 CA SER A 62 -6.691 -2.272 11.520 1.00 0.00 C ATOM 922 C SER A 62 -7.520 -3.552 11.502 1.00 0.00 C ATOM 923 O SER A 62 -8.729 -3.519 11.274 1.00 0.00 O ATOM 924 CB SER A 62 -6.678 -1.678 12.930 1.00 0.00 C ATOM 925 OG SER A 62 -7.989 -1.604 13.464 1.00 0.00 O ATOM 0 H SER A 62 -8.116 -0.900 10.825 1.00 0.00 H new ATOM 0 HA SER A 62 -5.670 -2.518 11.227 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.051 -2.289 13.580 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.235 -0.682 12.905 1.00 0.00 H new ATOM 0 HG SER A 62 -8.007 -0.955 14.198 1.00 0.00 H new ATOM 931 N GLY A 63 -6.860 -4.681 11.745 1.00 0.00 N ATOM 932 CA GLY A 63 -7.551 -5.957 11.752 1.00 0.00 C ATOM 933 C GLY A 63 -7.097 -6.856 12.884 1.00 0.00 C ATOM 934 O GLY A 63 -6.317 -6.455 13.749 1.00 0.00 O ATOM 0 H GLY A 63 -5.860 -4.734 11.937 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.624 -5.785 11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.383 -6.463 10.801 1.00 0.00 H new ATOM 938 N PRO A 64 -7.591 -8.103 12.890 1.00 0.00 N ATOM 939 CA PRO A 64 -7.246 -9.086 13.920 1.00 0.00 C ATOM 940 C PRO A 64 -5.799 -9.556 13.812 1.00 0.00 C ATOM 941 O PRO A 64 -5.261 -10.160 14.739 1.00 0.00 O ATOM 942 CB PRO A 64 -8.206 -10.245 13.641 1.00 0.00 C ATOM 943 CG PRO A 64 -8.538 -10.121 12.194 1.00 0.00 C ATOM 944 CD PRO A 64 -8.525 -8.648 11.891 1.00 0.00 C ATOM 0 HA PRO A 64 -7.336 -8.672 14.924 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.741 -11.206 13.860 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.101 -10.176 14.260 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.811 -10.652 11.580 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.514 -10.555 11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.186 -8.450 10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.518 -8.209 11.988 1.00 0.00 H new ATOM 952 N SER A 65 -5.174 -9.273 12.674 1.00 0.00 N ATOM 953 CA SER A 65 -3.789 -9.669 12.443 1.00 0.00 C ATOM 954 C SER A 65 -3.108 -8.717 11.465 1.00 0.00 C ATOM 955 O SER A 65 -3.724 -8.241 10.511 1.00 0.00 O ATOM 956 CB SER A 65 -3.729 -11.100 11.905 1.00 0.00 C ATOM 957 OG SER A 65 -2.392 -11.493 11.649 1.00 0.00 O ATOM 0 H SER A 65 -5.604 -8.771 11.897 1.00 0.00 H new ATOM 0 HA SER A 65 -3.260 -9.624 13.395 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.180 -11.782 12.626 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.314 -11.172 10.988 1.00 0.00 H new ATOM 0 HG SER A 65 -2.381 -12.412 11.308 1.00 0.00 H new ATOM 963 N LYS A 66 -1.830 -8.443 11.709 1.00 0.00 N ATOM 964 CA LYS A 66 -1.062 -7.549 10.852 1.00 0.00 C ATOM 965 C LYS A 66 -1.346 -7.829 9.379 1.00 0.00 C ATOM 966 O LYS A 66 -1.476 -6.907 8.575 1.00 0.00 O ATOM 967 CB LYS A 66 0.435 -7.703 11.131 1.00 0.00 C ATOM 968 CG LYS A 66 1.250 -6.473 10.772 1.00 0.00 C ATOM 969 CD LYS A 66 2.742 -6.746 10.863 1.00 0.00 C ATOM 970 CE LYS A 66 3.204 -6.844 12.309 1.00 0.00 C ATOM 971 NZ LYS A 66 4.666 -7.112 12.407 1.00 0.00 N ATOM 0 H LYS A 66 -1.305 -8.828 12.494 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.364 -6.526 11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.578 -7.927 12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.815 -8.557 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.999 -6.152 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.988 -5.654 11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.975 -7.674 10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.290 -5.950 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.969 -5.915 12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.654 -7.639 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.942 -7.172 13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.887 -8.011 11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.192 -6.341 11.949 1.00 0.00 H new ATOM 985 N LYS A 67 -1.443 -9.108 9.033 1.00 0.00 N ATOM 986 CA LYS A 67 -1.715 -9.511 7.659 1.00 0.00 C ATOM 987 C LYS A 67 -3.035 -8.923 7.170 1.00 0.00 C ATOM 988 O LYS A 67 -3.062 -8.116 6.241 1.00 0.00 O ATOM 989 CB LYS A 67 -1.754 -11.037 7.551 1.00 0.00 C ATOM 990 CG LYS A 67 -2.271 -11.540 6.214 1.00 0.00 C ATOM 991 CD LYS A 67 -2.481 -13.045 6.227 1.00 0.00 C ATOM 992 CE LYS A 67 -3.171 -13.522 4.958 1.00 0.00 C ATOM 993 NZ LYS A 67 -3.382 -14.996 4.963 1.00 0.00 N ATOM 0 H LYS A 67 -1.337 -9.884 9.686 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.912 -9.128 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.750 -11.430 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.385 -11.433 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.211 -11.043 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.564 -11.277 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.519 -13.547 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.080 -13.323 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.132 -13.018 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.571 -13.244 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.855 -15.282 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.463 -15.478 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.976 -15.259 5.775 1.00 0.00 H new ATOM 1007 N THR A 68 -4.130 -9.331 7.804 1.00 0.00 N ATOM 1008 CA THR A 68 -5.453 -8.845 7.435 1.00 0.00 C ATOM 1009 C THR A 68 -5.469 -7.324 7.326 1.00 0.00 C ATOM 1010 O THR A 68 -6.070 -6.765 6.409 1.00 0.00 O ATOM 1011 CB THR A 68 -6.520 -9.286 8.455 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.324 -10.661 8.805 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.920 -9.095 7.892 1.00 0.00 C ATOM 0 H THR A 68 -4.126 -9.997 8.576 1.00 0.00 H new ATOM 0 HA THR A 68 -5.689 -9.280 6.464 1.00 0.00 H new ATOM 0 HB THR A 68 -6.417 -8.666 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.005 -10.933 9.455 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.656 -9.413 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.076 -8.043 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.033 -9.692 6.987 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.805 -6.661 8.266 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.740 -5.205 8.274 1.00 0.00 C ATOM 1023 C ALA A 69 -4.343 -4.666 6.903 1.00 0.00 C ATOM 1024 O ALA A 69 -5.097 -3.923 6.275 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.762 -4.725 9.335 1.00 0.00 C ATOM 0 H ALA A 69 -4.304 -7.109 9.033 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.733 -4.823 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.724 -3.636 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.090 -5.071 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.770 -5.124 9.122 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.155 -5.045 6.446 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.656 -4.600 5.150 1.00 0.00 C ATOM 1033 C LYS A 70 -3.710 -4.798 4.065 1.00 0.00 C ATOM 1034 O LYS A 70 -3.861 -3.963 3.172 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.381 -5.362 4.782 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.109 -4.691 5.271 1.00 0.00 C ATOM 1037 CD LYS A 70 1.008 -5.699 5.481 1.00 0.00 C ATOM 1038 CE LYS A 70 1.632 -6.124 4.160 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.764 -5.237 3.771 1.00 0.00 N ATOM 0 H LYS A 70 -2.519 -5.660 6.954 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.428 -3.537 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.435 -6.367 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.332 -5.469 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.209 -3.940 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.309 -4.168 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.774 -5.266 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.616 -6.575 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.987 -7.152 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.873 -6.108 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.339 -5.707 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.390 -4.343 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.354 -5.042 4.605 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.438 -5.906 4.148 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.479 -6.213 3.174 1.00 0.00 C ATOM 1055 C LEU A 71 -6.610 -5.191 3.246 1.00 0.00 C ATOM 1056 O LEU A 71 -7.019 -4.630 2.229 1.00 0.00 O ATOM 1057 CB LEU A 71 -6.031 -7.619 3.414 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.142 -8.075 2.467 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.552 -8.727 1.226 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -8.088 -9.033 3.176 1.00 0.00 C ATOM 0 H LEU A 71 -4.326 -6.607 4.880 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.036 -6.168 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.206 -8.328 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.408 -7.670 4.435 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.710 -7.198 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.358 -9.045 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.916 -8.010 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.959 -9.594 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.872 -9.347 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.533 -9.907 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.538 -8.532 4.033 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.110 -4.953 4.454 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.191 -3.997 4.659 1.00 0.00 C ATOM 1074 C HIS A 72 -7.816 -2.625 4.106 1.00 0.00 C ATOM 1075 O HIS A 72 -8.589 -2.008 3.373 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.526 -3.885 6.147 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.224 -5.091 6.696 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -10.077 -5.039 7.778 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.191 -6.387 6.306 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.539 -6.251 8.031 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -10.016 -7.087 7.151 1.00 0.00 N ATOM 0 H HIS A 72 -6.784 -5.409 5.306 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.068 -4.358 4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.605 -3.722 6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.154 -3.008 6.305 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -10.314 -4.196 8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.622 -6.794 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.226 -6.513 8.822 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.625 -2.155 4.461 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.147 -0.857 4.000 1.00 0.00 C ATOM 1092 C VAL A 73 -6.254 -0.739 2.483 1.00 0.00 C ATOM 1093 O VAL A 73 -6.756 0.256 1.962 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.685 -0.615 4.420 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.080 0.527 3.617 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.601 -0.331 5.913 1.00 0.00 C ATOM 0 H VAL A 73 -5.973 -2.654 5.067 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.781 -0.103 4.467 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.111 -1.518 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.047 0.683 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.106 0.279 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.653 1.438 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.561 -0.162 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.189 0.556 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.993 -1.183 6.468 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.780 -1.763 1.781 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.825 -1.775 0.324 1.00 0.00 C ATOM 1108 C ALA A 74 -7.255 -1.625 -0.183 1.00 0.00 C ATOM 1109 O ALA A 74 -7.528 -0.814 -1.068 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.205 -3.058 -0.212 1.00 0.00 C ATOM 0 H ALA A 74 -5.361 -2.594 2.197 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.248 -0.925 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.245 -3.054 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.167 -3.124 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.759 -3.916 0.168 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.165 -2.411 0.384 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.568 -2.364 -0.010 1.00 0.00 C ATOM 1118 C VAL A 75 -10.098 -0.935 0.015 1.00 0.00 C ATOM 1119 O VAL A 75 -10.866 -0.531 -0.858 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.439 -3.240 0.910 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.903 -3.142 0.511 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.964 -4.685 0.876 1.00 0.00 C ATOM 0 H VAL A 75 -7.956 -3.088 1.118 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.624 -2.751 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.340 -2.873 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.503 -3.767 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.234 -2.107 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.023 -3.482 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.591 -5.290 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.031 -5.066 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.929 -4.736 1.215 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.684 -0.174 1.022 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.115 1.212 1.161 1.00 0.00 C ATOM 1134 C LYS A 76 -9.608 2.060 -0.001 1.00 0.00 C ATOM 1135 O LYS A 76 -10.355 2.849 -0.579 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.614 1.793 2.486 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.231 1.136 3.709 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.480 1.505 4.978 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.013 2.792 5.587 1.00 0.00 C ATOM 1140 NZ LYS A 76 -9.314 3.992 5.049 1.00 0.00 N ATOM 0 H LYS A 76 -9.050 -0.494 1.754 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.205 1.229 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.530 1.686 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.830 2.861 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.273 1.441 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.225 0.053 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.567 0.695 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.419 1.619 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.081 2.874 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.894 2.758 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.388 4.772 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.312 3.767 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.754 4.276 4.150 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.333 1.890 -0.340 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.727 2.637 -1.435 1.00 0.00 C ATOM 1156 C VAL A 77 -8.469 2.393 -2.744 1.00 0.00 C ATOM 1157 O VAL A 77 -8.847 3.335 -3.442 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.245 2.260 -1.620 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.632 3.049 -2.766 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.473 2.490 -0.330 1.00 0.00 C ATOM 0 H VAL A 77 -7.701 1.241 0.129 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.796 3.693 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.186 1.200 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.585 2.769 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.170 2.829 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.701 4.115 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.428 2.219 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.539 3.541 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.898 1.875 0.463 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.677 1.122 -3.072 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.375 0.753 -4.298 1.00 0.00 C ATOM 1172 C LEU A 78 -10.792 1.318 -4.309 1.00 0.00 C ATOM 1173 O LEU A 78 -11.227 1.908 -5.297 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.420 -0.769 -4.444 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.074 -1.490 -4.369 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.273 -2.998 -4.394 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.169 -1.051 -5.512 1.00 0.00 C ATOM 0 H LEU A 78 -8.372 0.330 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.828 1.177 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.068 -1.170 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.885 -1.009 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.593 -1.223 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.304 -3.494 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.883 -3.299 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.775 -3.283 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.215 -1.574 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.644 -1.288 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.998 0.024 -5.449 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.505 1.134 -3.203 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.873 1.627 -3.085 1.00 0.00 C ATOM 1191 C GLN A 79 -12.926 3.137 -3.291 1.00 0.00 C ATOM 1192 O GLN A 79 -13.865 3.659 -3.892 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.452 1.266 -1.716 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.759 -0.214 -1.557 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.154 -0.575 -2.030 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.684 0.036 -2.958 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.756 -1.572 -1.392 1.00 0.00 N ATOM 0 H GLN A 79 -11.159 0.648 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.472 1.151 -3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.747 1.568 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.366 1.838 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.027 -0.795 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.651 -0.493 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.279 -2.051 -0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.696 -1.859 -1.666 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.913 3.834 -2.787 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.844 5.285 -2.917 1.00 0.00 C ATOM 1208 C ALA A 80 -11.798 5.703 -4.383 1.00 0.00 C ATOM 1209 O ALA A 80 -12.590 6.534 -4.826 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.631 5.824 -2.174 1.00 0.00 C ATOM 0 H ALA A 80 -11.129 3.418 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.745 5.708 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.592 6.908 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.706 5.565 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.724 5.386 -2.591 1.00 0.00 H new ATOM 1216 N MET A 81 -10.864 5.123 -5.130 1.00 0.00 N ATOM 1217 CA MET A 81 -10.716 5.436 -6.547 1.00 0.00 C ATOM 1218 C MET A 81 -11.949 5.001 -7.332 1.00 0.00 C ATOM 1219 O MET A 81 -12.328 5.638 -8.314 1.00 0.00 O ATOM 1220 CB MET A 81 -9.469 4.753 -7.114 1.00 0.00 C ATOM 1221 CG MET A 81 -8.209 5.025 -6.309 1.00 0.00 C ATOM 1222 SD MET A 81 -6.715 4.969 -7.317 1.00 0.00 S ATOM 1223 CE MET A 81 -5.745 3.761 -6.419 1.00 0.00 C ATOM 0 H MET A 81 -10.199 4.434 -4.778 1.00 0.00 H new ATOM 0 HA MET A 81 -10.607 6.516 -6.645 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.640 3.677 -7.153 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.315 5.089 -8.139 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.288 6.005 -5.838 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.129 4.291 -5.507 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.796 3.604 -6.931 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.557 4.124 -5.409 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.291 2.819 -6.370 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.571 3.911 -6.892 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.755 3.410 -7.566 1.00 0.00 C ATOM 1235 C GLY A 82 -13.516 2.074 -8.240 1.00 0.00 C ATOM 1236 O GLY A 82 -14.094 1.788 -9.289 1.00 0.00 O ATOM 0 H GLY A 82 -12.276 3.366 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.565 3.309 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.080 4.136 -8.311 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.661 1.254 -7.639 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.344 -0.058 -8.191 1.00 0.00 C ATOM 1242 C TYR A 83 -13.123 -1.155 -7.471 1.00 0.00 C ATOM 1243 O TYR A 83 -13.512 -1.016 -6.311 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.842 -0.330 -8.084 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.021 0.389 -9.131 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.089 0.020 -10.469 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.177 1.435 -8.782 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.340 0.672 -11.429 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.425 2.095 -9.735 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.510 1.710 -11.057 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.762 2.363 -12.010 1.00 0.00 O ATOM 0 H TYR A 83 -12.175 1.475 -6.770 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.634 -0.061 -9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.496 -0.031 -7.095 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.668 -1.403 -8.171 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.739 -0.791 -10.763 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.107 1.738 -7.748 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.403 0.371 -12.464 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.775 2.907 -9.447 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.232 3.069 -11.583 1.00 0.00 H new