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 Set 1.1: A 26 ASN : amide:sc= -1.2 K(o=-2.5,f=-5.7!) USER MOD Set 1.2: A 34 TYR OH : rot -8:sc= -1.31 USER MOD Single : A 19 MET CE :methyl 143:sc= -0.198 (180deg=-1.31) USER MOD Single : A 20 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.75) USER MOD Single : A 23 MET CE :methyl -155:sc= -2.86 (180deg=-5.66!) USER MOD Single : A 27 GLN : amide:sc= -0.0986 K(o=-0.099,f=-1.7!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= -0.264 (180deg=-1.85!) USER MOD Single : A 38 SER OG : rot -7:sc= 1.03 USER MOD Single : A 39 GLN : amide:sc= -3.01 K(o=-3,f=-4.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.038) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -112:sc= -2.3 (180deg=-4.61!) USER MOD Single : A 51 SER OG : rot -52:sc= 0.0352 USER MOD Single : A 57 THR OG1 : rot 113:sc= 1.09 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -18:sc= 0.228 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 150:sc=-0.00524 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0632) USER MOD Single : A 68 THR OG1 : rot 81:sc= -0.129 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.54! K(o=-3.5!,f=-2.3) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc=-0.00094 (180deg=-0.368) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 81 MET CE :methyl 156:sc= -5.09! (180deg=-5.74!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -10.198 -12.700 -1.689 1.00 0.00 N ATOM 237 CA LEU A 18 -9.980 -11.510 -0.873 1.00 0.00 C ATOM 238 C LEU A 18 -8.528 -11.052 -0.955 1.00 0.00 C ATOM 239 O LEU A 18 -8.249 -9.890 -1.250 1.00 0.00 O ATOM 240 CB LEU A 18 -10.357 -11.791 0.583 1.00 0.00 C ATOM 241 CG LEU A 18 -9.864 -13.118 1.160 1.00 0.00 C ATOM 242 CD1 LEU A 18 -8.481 -12.953 1.770 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.846 -13.647 2.195 1.00 0.00 C ATOM 0 HA LEU A 18 -10.615 -10.713 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.967 -10.982 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.443 -11.762 0.668 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.797 -13.843 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.146 -13.908 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.782 -12.620 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.522 -12.213 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.479 -14.592 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.945 -12.924 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.818 -13.804 1.727 1.00 0.00 H new ATOM 255 N MET A 19 -7.606 -11.973 -0.693 1.00 0.00 N ATOM 256 CA MET A 19 -6.182 -11.664 -0.740 1.00 0.00 C ATOM 257 C MET A 19 -5.855 -10.792 -1.949 1.00 0.00 C ATOM 258 O MET A 19 -4.934 -9.977 -1.907 1.00 0.00 O ATOM 259 CB MET A 19 -5.360 -12.953 -0.790 1.00 0.00 C ATOM 260 CG MET A 19 -5.912 -13.989 -1.755 1.00 0.00 C ATOM 261 SD MET A 19 -5.234 -13.820 -3.418 1.00 0.00 S ATOM 262 CE MET A 19 -6.725 -13.925 -4.404 1.00 0.00 C ATOM 0 H MET A 19 -7.820 -12.939 -0.446 1.00 0.00 H new ATOM 0 HA MET A 19 -5.925 -11.113 0.164 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.337 -12.711 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.317 -13.386 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.691 -14.987 -1.376 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.997 -13.898 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.649 -13.245 -5.252 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.850 -14.945 -4.767 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.585 -13.649 -3.794 1.00 0.00 H new ATOM 272 N ASN A 20 -6.616 -10.969 -3.024 1.00 0.00 N ATOM 273 CA ASN A 20 -6.406 -10.198 -4.244 1.00 0.00 C ATOM 274 C ASN A 20 -6.146 -8.730 -3.922 1.00 0.00 C ATOM 275 O ASN A 20 -5.208 -8.126 -4.442 1.00 0.00 O ATOM 276 CB ASN A 20 -7.620 -10.323 -5.166 1.00 0.00 C ATOM 277 CG ASN A 20 -7.252 -10.176 -6.630 1.00 0.00 C ATOM 278 OD1 ASN A 20 -6.228 -10.691 -7.079 1.00 0.00 O ATOM 279 ND2 ASN A 20 -8.089 -9.469 -7.382 1.00 0.00 N ATOM 0 H ASN A 20 -7.383 -11.639 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.530 -10.600 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.094 -11.292 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.354 -9.562 -4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.894 -9.335 -8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.926 -9.060 -6.967 1.00 0.00 H new ATOM 286 N ALA A 21 -6.983 -8.162 -3.061 1.00 0.00 N ATOM 287 CA ALA A 21 -6.843 -6.765 -2.667 1.00 0.00 C ATOM 288 C ALA A 21 -5.375 -6.357 -2.604 1.00 0.00 C ATOM 289 O ALA A 21 -4.911 -5.545 -3.404 1.00 0.00 O ATOM 290 CB ALA A 21 -7.518 -6.525 -1.325 1.00 0.00 C ATOM 0 H ALA A 21 -7.766 -8.647 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.332 -6.149 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.406 -5.478 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.578 -6.768 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.055 -7.156 -0.567 1.00 0.00 H new ATOM 296 N LEU A 22 -4.649 -6.926 -1.647 1.00 0.00 N ATOM 297 CA LEU A 22 -3.232 -6.621 -1.479 1.00 0.00 C ATOM 298 C LEU A 22 -2.536 -6.502 -2.831 1.00 0.00 C ATOM 299 O LEU A 22 -2.050 -5.433 -3.198 1.00 0.00 O ATOM 300 CB LEU A 22 -2.554 -7.702 -0.637 1.00 0.00 C ATOM 301 CG LEU A 22 -2.607 -7.505 0.879 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.066 -8.731 1.596 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.827 -6.261 1.282 1.00 0.00 C ATOM 0 H LEU A 22 -5.018 -7.600 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.151 -5.664 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.014 -8.661 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.508 -7.766 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.648 -7.368 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.112 -8.572 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.666 -9.602 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.031 -8.900 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.875 -6.136 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.787 -6.369 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.260 -5.387 0.796 1.00 0.00 H new ATOM 315 N MET A 23 -2.494 -7.607 -3.568 1.00 0.00 N ATOM 316 CA MET A 23 -1.861 -7.626 -4.882 1.00 0.00 C ATOM 317 C MET A 23 -2.318 -6.438 -5.723 1.00 0.00 C ATOM 318 O MET A 23 -1.503 -5.625 -6.159 1.00 0.00 O ATOM 319 CB MET A 23 -2.183 -8.933 -5.608 1.00 0.00 C ATOM 320 CG MET A 23 -1.373 -10.120 -5.110 1.00 0.00 C ATOM 321 SD MET A 23 -2.210 -11.694 -5.381 1.00 0.00 S ATOM 322 CE MET A 23 -2.617 -12.155 -3.698 1.00 0.00 C ATOM 0 H MET A 23 -2.891 -8.501 -3.278 1.00 0.00 H new ATOM 0 HA MET A 23 -0.783 -7.554 -4.739 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.244 -9.153 -5.490 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.001 -8.801 -6.675 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.408 -10.134 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.173 -9.998 -4.045 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.719 -13.238 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.823 -11.824 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.556 -11.684 -3.409 1.00 0.00 H new ATOM 332 N ARG A 24 -3.625 -6.345 -5.946 1.00 0.00 N ATOM 333 CA ARG A 24 -4.189 -5.257 -6.736 1.00 0.00 C ATOM 334 C ARG A 24 -3.472 -3.943 -6.442 1.00 0.00 C ATOM 335 O ARG A 24 -2.957 -3.288 -7.349 1.00 0.00 O ATOM 336 CB ARG A 24 -5.684 -5.110 -6.447 1.00 0.00 C ATOM 337 CG ARG A 24 -6.535 -6.205 -7.069 1.00 0.00 C ATOM 338 CD ARG A 24 -6.995 -5.825 -8.468 1.00 0.00 C ATOM 339 NE ARG A 24 -5.884 -5.775 -9.415 1.00 0.00 N ATOM 340 CZ ARG A 24 -5.289 -6.856 -9.907 1.00 0.00 C ATOM 341 NH1 ARG A 24 -5.695 -8.064 -9.543 1.00 0.00 N ATOM 342 NH2 ARG A 24 -4.284 -6.729 -10.764 1.00 0.00 N ATOM 0 H ARG A 24 -4.313 -7.009 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.052 -5.498 -7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.839 -5.110 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.024 -4.143 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.963 -7.132 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.403 -6.395 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.735 -6.547 -8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.488 -4.853 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.547 -4.860 -9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.466 -8.166 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.236 -8.892 -9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.968 -5.801 -11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.828 -7.559 -11.141 1.00 0.00 H new ATOM 356 N LEU A 25 -3.443 -3.562 -5.169 1.00 0.00 N ATOM 357 CA LEU A 25 -2.790 -2.326 -4.755 1.00 0.00 C ATOM 358 C LEU A 25 -1.378 -2.238 -5.327 1.00 0.00 C ATOM 359 O LEU A 25 -0.995 -1.222 -5.905 1.00 0.00 O ATOM 360 CB LEU A 25 -2.740 -2.239 -3.228 1.00 0.00 C ATOM 361 CG LEU A 25 -2.515 -0.844 -2.643 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.743 0.027 -2.852 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.171 -0.937 -1.163 1.00 0.00 C ATOM 0 H LEU A 25 -3.864 -4.092 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.372 -1.489 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.676 -2.631 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.944 -2.893 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.676 -0.383 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.564 1.016 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.946 0.120 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.601 -0.429 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.014 0.064 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.991 -1.417 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.262 -1.525 -1.037 1.00 0.00 H new ATOM 375 N ASN A 26 -0.611 -3.310 -5.162 1.00 0.00 N ATOM 376 CA ASN A 26 0.758 -3.354 -5.663 1.00 0.00 C ATOM 377 C ASN A 26 0.790 -3.161 -7.176 1.00 0.00 C ATOM 378 O ASN A 26 1.595 -2.388 -7.695 1.00 0.00 O ATOM 379 CB ASN A 26 1.416 -4.686 -5.295 1.00 0.00 C ATOM 380 CG ASN A 26 1.308 -4.993 -3.813 1.00 0.00 C ATOM 381 OD1 ASN A 26 1.473 -4.110 -2.971 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.032 -6.251 -3.489 1.00 0.00 N ATOM 0 H ASN A 26 -0.914 -4.160 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 26 1.314 -2.540 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.949 -5.489 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.467 -4.661 -5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.949 -6.519 -2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.903 -6.950 -4.221 1.00 0.00 H new ATOM 389 N GLN A 27 -0.092 -3.866 -7.876 1.00 0.00 N ATOM 390 CA GLN A 27 -0.165 -3.772 -9.330 1.00 0.00 C ATOM 391 C GLN A 27 -0.283 -2.318 -9.775 1.00 0.00 C ATOM 392 O GLN A 27 0.519 -1.837 -10.577 1.00 0.00 O ATOM 393 CB GLN A 27 -1.354 -4.577 -9.855 1.00 0.00 C ATOM 394 CG GLN A 27 -1.152 -6.081 -9.779 1.00 0.00 C ATOM 395 CD GLN A 27 -0.445 -6.638 -10.999 1.00 0.00 C ATOM 396 OE1 GLN A 27 -0.524 -6.070 -12.089 1.00 0.00 O ATOM 397 NE2 GLN A 27 0.253 -7.754 -10.822 1.00 0.00 N ATOM 0 H GLN A 27 -0.766 -4.509 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 27 0.755 -4.186 -9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.243 -4.309 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.543 -4.296 -10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.573 -6.321 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.121 -6.569 -9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.291 -8.191 -9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.751 -8.174 -11.607 1.00 0.00 H new ATOM 406 N ILE A 28 -1.287 -1.623 -9.251 1.00 0.00 N ATOM 407 CA ILE A 28 -1.509 -0.224 -9.594 1.00 0.00 C ATOM 408 C ILE A 28 -0.374 0.655 -9.080 1.00 0.00 C ATOM 409 O ILE A 28 0.107 1.542 -9.785 1.00 0.00 O ATOM 410 CB ILE A 28 -2.842 0.291 -9.022 1.00 0.00 C ATOM 411 CG1 ILE A 28 -2.909 0.035 -7.515 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.014 -0.372 -9.730 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.167 0.568 -6.866 1.00 0.00 C ATOM 0 H ILE A 28 -1.960 -2.006 -8.587 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.544 -0.168 -10.682 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.901 1.366 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.843 -1.038 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.042 0.493 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.949 0.003 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.973 -0.143 -10.795 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.961 -1.452 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.146 0.351 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.225 1.646 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.038 0.092 -7.316 1.00 0.00 H new ATOM 425 N ARG A 29 0.051 0.402 -7.846 1.00 0.00 N ATOM 426 CA ARG A 29 1.130 1.170 -7.237 1.00 0.00 C ATOM 427 C ARG A 29 2.265 0.253 -6.791 1.00 0.00 C ATOM 428 O ARG A 29 2.282 -0.255 -5.669 1.00 0.00 O ATOM 429 CB ARG A 29 0.605 1.967 -6.042 1.00 0.00 C ATOM 430 CG ARG A 29 -0.166 3.217 -6.435 1.00 0.00 C ATOM 431 CD ARG A 29 -1.585 2.883 -6.868 1.00 0.00 C ATOM 432 NE ARG A 29 -2.390 4.083 -7.076 1.00 0.00 N ATOM 433 CZ ARG A 29 -2.362 4.804 -8.191 1.00 0.00 C ATOM 434 NH1 ARG A 29 -1.572 4.447 -9.195 1.00 0.00 N ATOM 435 NH2 ARG A 29 -3.124 5.884 -8.305 1.00 0.00 N ATOM 0 H ARG A 29 -0.336 -0.329 -7.249 1.00 0.00 H new ATOM 0 HA ARG A 29 1.517 1.862 -7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.041 1.325 -5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.445 2.253 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.195 3.908 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.353 3.726 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.555 2.302 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.057 2.256 -6.111 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.008 4.384 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.985 3.617 -9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.552 5.002 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.733 6.162 -7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.101 6.436 -9.162 1.00 0.00 H new ATOM 449 N PRO A 30 3.237 0.034 -7.689 1.00 0.00 N ATOM 450 CA PRO A 30 4.394 -0.822 -7.411 1.00 0.00 C ATOM 451 C PRO A 30 5.342 -0.202 -6.390 1.00 0.00 C ATOM 452 O PRO A 30 5.513 1.015 -6.347 1.00 0.00 O ATOM 453 CB PRO A 30 5.080 -0.944 -8.774 1.00 0.00 C ATOM 454 CG PRO A 30 4.673 0.283 -9.514 1.00 0.00 C ATOM 455 CD PRO A 30 3.282 0.607 -9.045 1.00 0.00 C ATOM 0 HA PRO A 30 4.099 -1.779 -6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.163 -1.001 -8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.763 -1.846 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.356 1.107 -9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.692 0.114 -10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.102 1.682 -9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.526 0.164 -9.694 1.00 0.00 H new ATOM 463 N GLY A 31 5.956 -1.049 -5.569 1.00 0.00 N ATOM 464 CA GLY A 31 6.880 -0.565 -4.560 1.00 0.00 C ATOM 465 C GLY A 31 6.176 0.156 -3.428 1.00 0.00 C ATOM 466 O GLY A 31 6.322 1.368 -3.268 1.00 0.00 O ATOM 0 H GLY A 31 5.830 -2.061 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.445 -1.405 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.600 0.109 -5.024 1.00 0.00 H new ATOM 470 N LEU A 32 5.408 -0.590 -2.641 1.00 0.00 N ATOM 471 CA LEU A 32 4.676 -0.014 -1.518 1.00 0.00 C ATOM 472 C LEU A 32 5.293 -0.442 -0.190 1.00 0.00 C ATOM 473 O LEU A 32 5.944 -1.482 -0.104 1.00 0.00 O ATOM 474 CB LEU A 32 3.207 -0.436 -1.571 1.00 0.00 C ATOM 475 CG LEU A 32 2.388 0.130 -2.731 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.207 -0.776 -3.043 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.910 1.539 -2.410 1.00 0.00 C ATOM 0 H LEU A 32 5.276 -1.594 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 32 4.738 1.072 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.164 -1.524 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.730 -0.139 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 32 3.028 0.176 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.636 -0.357 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.571 -1.766 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.567 -0.855 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.329 1.926 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.288 1.517 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.771 2.185 -2.237 1.00 0.00 H new ATOM 489 N GLN A 33 5.080 0.367 0.843 1.00 0.00 N ATOM 490 CA GLN A 33 5.613 0.070 2.168 1.00 0.00 C ATOM 491 C GLN A 33 4.555 0.293 3.243 1.00 0.00 C ATOM 492 O GLN A 33 4.181 1.430 3.534 1.00 0.00 O ATOM 493 CB GLN A 33 6.839 0.940 2.453 1.00 0.00 C ATOM 494 CG GLN A 33 6.520 2.422 2.569 1.00 0.00 C ATOM 495 CD GLN A 33 7.756 3.294 2.474 1.00 0.00 C ATOM 496 OE1 GLN A 33 8.557 3.361 3.407 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.919 3.969 1.342 1.00 0.00 N ATOM 0 H GLN A 33 4.543 1.232 0.788 1.00 0.00 H new ATOM 0 HA GLN A 33 5.908 -0.979 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.305 0.604 3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.570 0.795 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.821 2.702 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.020 2.609 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.231 3.884 0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.733 4.572 1.220 1.00 0.00 H new ATOM 506 N TYR A 34 4.077 -0.798 3.831 1.00 0.00 N ATOM 507 CA TYR A 34 3.060 -0.721 4.873 1.00 0.00 C ATOM 508 C TYR A 34 3.700 -0.576 6.250 1.00 0.00 C ATOM 509 O TYR A 34 4.707 -1.218 6.551 1.00 0.00 O ATOM 510 CB TYR A 34 2.172 -1.967 4.840 1.00 0.00 C ATOM 511 CG TYR A 34 1.603 -2.269 3.472 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.379 -2.883 2.496 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.291 -1.940 3.155 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.864 -3.160 1.244 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.233 -2.216 1.907 1.00 0.00 C ATOM 516 CZ TYR A 34 0.558 -2.825 0.955 1.00 0.00 C ATOM 517 OH TYR A 34 0.040 -3.100 -0.290 1.00 0.00 O ATOM 0 H TYR A 34 4.377 -1.746 3.604 1.00 0.00 H new ATOM 0 HA TYR A 34 2.447 0.160 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.752 -2.825 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.351 -1.837 5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.402 -3.148 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.330 -1.460 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.481 -3.636 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.256 -1.956 1.678 1.00 0.00 H new ATOM 0 HH TYR A 34 0.758 -3.405 -0.883 1.00 0.00 H new ATOM 527 N LYS A 35 3.108 0.273 7.083 1.00 0.00 N ATOM 528 CA LYS A 35 3.617 0.504 8.430 1.00 0.00 C ATOM 529 C LYS A 35 2.503 0.372 9.463 1.00 0.00 C ATOM 530 O LYS A 35 1.356 0.738 9.204 1.00 0.00 O ATOM 531 CB LYS A 35 4.254 1.892 8.526 1.00 0.00 C ATOM 532 CG LYS A 35 5.322 2.145 7.476 1.00 0.00 C ATOM 533 CD LYS A 35 5.893 3.549 7.588 1.00 0.00 C ATOM 534 CE LYS A 35 5.005 4.570 6.893 1.00 0.00 C ATOM 535 NZ LYS A 35 3.931 5.075 7.793 1.00 0.00 N ATOM 0 H LYS A 35 2.275 0.813 6.849 1.00 0.00 H new ATOM 0 HA LYS A 35 4.374 -0.252 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.475 2.648 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.694 2.013 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.124 1.415 7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.898 2.002 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.002 3.816 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.890 3.573 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.614 5.406 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.555 4.118 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.004 4.768 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.074 4.696 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.964 6.114 7.824 1.00 0.00 H new ATOM 549 N LEU A 36 2.847 -0.152 10.634 1.00 0.00 N ATOM 550 CA LEU A 36 1.875 -0.331 11.707 1.00 0.00 C ATOM 551 C LEU A 36 1.875 0.871 12.647 1.00 0.00 C ATOM 552 O LEU A 36 2.691 0.955 13.565 1.00 0.00 O ATOM 553 CB LEU A 36 2.183 -1.607 12.493 1.00 0.00 C ATOM 554 CG LEU A 36 1.009 -2.229 13.250 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.007 -2.833 12.278 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.504 -3.282 14.231 1.00 0.00 C ATOM 0 H LEU A 36 3.791 -0.460 10.865 1.00 0.00 H new ATOM 0 HA LEU A 36 0.886 -0.418 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.577 -2.350 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.975 -1.387 13.209 1.00 0.00 H new ATOM 0 HG LEU A 36 0.508 -1.442 13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.821 -3.271 12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.372 -2.055 11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.496 -3.607 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.655 -3.714 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.030 -4.067 13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.182 -2.820 14.948 1.00 0.00 H new ATOM 568 N LEU A 37 0.952 1.797 12.413 1.00 0.00 N ATOM 569 CA LEU A 37 0.843 2.994 13.240 1.00 0.00 C ATOM 570 C LEU A 37 0.992 2.650 14.718 1.00 0.00 C ATOM 571 O LEU A 37 1.876 3.168 15.400 1.00 0.00 O ATOM 572 CB LEU A 37 -0.501 3.684 12.998 1.00 0.00 C ATOM 573 CG LEU A 37 -0.729 4.235 11.589 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.181 4.646 11.406 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.199 5.411 11.320 1.00 0.00 C ATOM 0 H LEU A 37 0.268 1.742 11.658 1.00 0.00 H new ATOM 0 HA LEU A 37 1.649 3.673 12.961 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.297 2.974 13.222 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.598 4.505 13.708 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.503 3.448 10.870 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.325 5.036 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.826 3.780 11.556 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.435 5.418 12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.023 5.790 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.004 6.201 12.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.235 5.085 11.409 1.00 0.00 H new ATOM 587 N SER A 38 0.122 1.772 15.206 1.00 0.00 N ATOM 588 CA SER A 38 0.156 1.359 16.605 1.00 0.00 C ATOM 589 C SER A 38 -0.630 0.067 16.809 1.00 0.00 C ATOM 590 O SER A 38 -1.461 -0.303 15.980 1.00 0.00 O ATOM 591 CB SER A 38 -0.414 2.463 17.498 1.00 0.00 C ATOM 592 OG SER A 38 0.425 3.605 17.495 1.00 0.00 O ATOM 0 H SER A 38 -0.615 1.333 14.654 1.00 0.00 H new ATOM 0 HA SER A 38 1.195 1.179 16.881 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.410 2.738 17.150 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.524 2.091 18.517 1.00 0.00 H new ATOM 0 HG SER A 38 1.252 3.402 17.010 1.00 0.00 H new ATOM 598 N GLN A 39 -0.360 -0.613 17.918 1.00 0.00 N ATOM 599 CA GLN A 39 -1.041 -1.864 18.232 1.00 0.00 C ATOM 600 C GLN A 39 -1.614 -1.832 19.645 1.00 0.00 C ATOM 601 O GLN A 39 -0.904 -1.540 20.607 1.00 0.00 O ATOM 602 CB GLN A 39 -0.079 -3.044 18.085 1.00 0.00 C ATOM 603 CG GLN A 39 -0.699 -4.383 18.447 1.00 0.00 C ATOM 604 CD GLN A 39 -0.626 -4.677 19.933 1.00 0.00 C ATOM 605 OE1 GLN A 39 0.088 -4.003 20.676 1.00 0.00 O ATOM 606 NE2 GLN A 39 -1.366 -5.688 20.374 1.00 0.00 N ATOM 0 H GLN A 39 0.325 -0.319 18.614 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.865 -1.987 17.529 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.278 -3.085 17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.792 -2.873 18.718 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.742 -4.394 18.129 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.190 -5.175 17.898 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.943 -6.220 19.722 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.357 -5.933 21.364 1.00 0.00 H new ATOM 615 N SER A 40 -2.903 -2.135 19.763 1.00 0.00 N ATOM 616 CA SER A 40 -3.572 -2.138 21.058 1.00 0.00 C ATOM 617 C SER A 40 -4.460 -3.370 21.208 1.00 0.00 C ATOM 618 O SER A 40 -4.869 -3.978 20.221 1.00 0.00 O ATOM 619 CB SER A 40 -4.409 -0.868 21.226 1.00 0.00 C ATOM 620 OG SER A 40 -4.531 -0.514 22.593 1.00 0.00 O ATOM 0 H SER A 40 -3.505 -2.382 18.977 1.00 0.00 H new ATOM 0 HA SER A 40 -2.808 -2.166 21.834 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.947 -0.049 20.675 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.399 -1.022 20.797 1.00 0.00 H new ATOM 0 HG SER A 40 -5.069 0.301 22.673 1.00 0.00 H new ATOM 626 N GLY A 41 -4.754 -3.731 22.454 1.00 0.00 N ATOM 627 CA GLY A 41 -5.591 -4.888 22.712 1.00 0.00 C ATOM 628 C GLY A 41 -4.820 -6.033 23.339 1.00 0.00 C ATOM 629 O GLY A 41 -3.627 -5.924 23.623 1.00 0.00 O ATOM 0 H GLY A 41 -4.428 -3.243 23.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.409 -4.601 23.372 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.039 -5.224 21.777 1.00 0.00 H new ATOM 633 N PRO A 42 -5.509 -7.161 23.566 1.00 0.00 N ATOM 634 CA PRO A 42 -4.902 -8.352 24.167 1.00 0.00 C ATOM 635 C PRO A 42 -3.908 -9.031 23.231 1.00 0.00 C ATOM 636 O PRO A 42 -3.705 -8.591 22.099 1.00 0.00 O ATOM 637 CB PRO A 42 -6.100 -9.268 24.429 1.00 0.00 C ATOM 638 CG PRO A 42 -7.127 -8.841 23.437 1.00 0.00 C ATOM 639 CD PRO A 42 -6.934 -7.361 23.252 1.00 0.00 C ATOM 0 HA PRO A 42 -4.330 -8.109 25.062 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.833 -10.316 24.296 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.466 -9.159 25.450 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.002 -9.372 22.493 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.132 -9.062 23.796 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.169 -7.049 22.234 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.577 -6.786 23.918 1.00 0.00 H new ATOM 647 N VAL A 43 -3.290 -10.106 23.710 1.00 0.00 N ATOM 648 CA VAL A 43 -2.318 -10.847 22.915 1.00 0.00 C ATOM 649 C VAL A 43 -3.011 -11.789 21.938 1.00 0.00 C ATOM 650 O VAL A 43 -2.480 -12.094 20.869 1.00 0.00 O ATOM 651 CB VAL A 43 -1.366 -11.663 23.810 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.128 -12.755 24.545 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.235 -12.255 22.983 1.00 0.00 C ATOM 0 H VAL A 43 -3.445 -10.483 24.645 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.739 -10.111 22.357 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.931 -10.994 24.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.439 -13.321 25.172 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.899 -12.304 25.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.593 -13.425 23.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.428 -12.828 23.631 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.649 -12.910 22.217 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.328 -11.451 22.508 1.00 0.00 H new ATOM 663 N HIS A 44 -4.202 -12.248 22.310 1.00 0.00 N ATOM 664 CA HIS A 44 -4.969 -13.156 21.465 1.00 0.00 C ATOM 665 C HIS A 44 -5.876 -12.379 20.516 1.00 0.00 C ATOM 666 O HIS A 44 -6.233 -12.867 19.444 1.00 0.00 O ATOM 667 CB HIS A 44 -5.806 -14.104 22.326 1.00 0.00 C ATOM 668 CG HIS A 44 -6.988 -13.444 22.967 1.00 0.00 C ATOM 669 ND1 HIS A 44 -6.958 -12.924 24.244 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.238 -13.220 22.500 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.140 -12.410 24.535 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.935 -12.576 23.493 1.00 0.00 N ATOM 0 H HIS A 44 -4.656 -12.006 23.191 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.266 -13.741 20.871 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.153 -14.932 21.708 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.172 -14.531 23.104 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.617 -13.496 21.527 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.410 -11.935 25.466 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.908 -12.275 23.435 1.00 0.00 H new ATOM 681 N ALA A 45 -6.245 -11.167 20.917 1.00 0.00 N ATOM 682 CA ALA A 45 -7.109 -10.322 20.102 1.00 0.00 C ATOM 683 C ALA A 45 -6.494 -8.941 19.901 1.00 0.00 C ATOM 684 O ALA A 45 -7.133 -7.912 20.123 1.00 0.00 O ATOM 685 CB ALA A 45 -8.485 -10.201 20.741 1.00 0.00 C ATOM 0 H ALA A 45 -5.959 -10.748 21.802 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.215 -10.790 19.123 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.119 -9.567 20.121 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.934 -11.190 20.827 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.388 -9.759 21.733 1.00 0.00 H new ATOM 691 N PRO A 46 -5.224 -8.915 19.470 1.00 0.00 N ATOM 692 CA PRO A 46 -4.495 -7.666 19.230 1.00 0.00 C ATOM 693 C PRO A 46 -5.025 -6.910 18.016 1.00 0.00 C ATOM 694 O PRO A 46 -5.520 -7.514 17.064 1.00 0.00 O ATOM 695 CB PRO A 46 -3.059 -8.135 18.983 1.00 0.00 C ATOM 696 CG PRO A 46 -3.198 -9.533 18.487 1.00 0.00 C ATOM 697 CD PRO A 46 -4.402 -10.103 19.185 1.00 0.00 C ATOM 0 HA PRO A 46 -4.593 -6.970 20.063 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.556 -7.503 18.251 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.467 -8.096 19.897 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.329 -9.552 17.405 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.305 -10.117 18.710 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.932 -10.817 18.554 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.125 -10.629 20.099 1.00 0.00 H new ATOM 705 N VAL A 47 -4.918 -5.586 18.056 1.00 0.00 N ATOM 706 CA VAL A 47 -5.385 -4.748 16.958 1.00 0.00 C ATOM 707 C VAL A 47 -4.214 -4.188 16.158 1.00 0.00 C ATOM 708 O VAL A 47 -3.498 -3.301 16.622 1.00 0.00 O ATOM 709 CB VAL A 47 -6.246 -3.579 17.472 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.784 -2.760 16.308 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.383 -4.097 18.340 1.00 0.00 C ATOM 0 H VAL A 47 -4.512 -5.070 18.837 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.993 -5.382 16.312 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.619 -2.930 18.083 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.390 -1.939 16.690 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.952 -2.358 15.730 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.396 -3.395 15.668 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.981 -3.258 18.695 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.011 -4.769 17.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.972 -4.636 19.194 1.00 0.00 H new ATOM 721 N PHE A 48 -4.025 -4.713 14.951 1.00 0.00 N ATOM 722 CA PHE A 48 -2.940 -4.266 14.085 1.00 0.00 C ATOM 723 C PHE A 48 -3.399 -3.123 13.185 1.00 0.00 C ATOM 724 O PHE A 48 -4.096 -3.338 12.193 1.00 0.00 O ATOM 725 CB PHE A 48 -2.430 -5.429 13.231 1.00 0.00 C ATOM 726 CG PHE A 48 -1.598 -6.416 13.998 1.00 0.00 C ATOM 727 CD1 PHE A 48 -0.232 -6.230 14.139 1.00 0.00 C ATOM 728 CD2 PHE A 48 -2.181 -7.530 14.580 1.00 0.00 C ATOM 729 CE1 PHE A 48 0.537 -7.136 14.844 1.00 0.00 C ATOM 730 CE2 PHE A 48 -1.418 -8.440 15.287 1.00 0.00 C ATOM 731 CZ PHE A 48 -0.057 -8.243 15.419 1.00 0.00 C ATOM 0 H PHE A 48 -4.609 -5.448 14.551 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.129 -3.904 14.717 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.282 -5.948 12.792 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.839 -5.032 12.406 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.237 -5.366 13.692 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.245 -7.689 14.480 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.601 -6.979 14.945 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.885 -9.304 15.736 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.541 -8.953 15.971 1.00 0.00 H new ATOM 741 N THR A 49 -3.003 -1.904 13.538 1.00 0.00 N ATOM 742 CA THR A 49 -3.374 -0.725 12.765 1.00 0.00 C ATOM 743 C THR A 49 -2.343 -0.433 11.681 1.00 0.00 C ATOM 744 O THR A 49 -1.250 0.055 11.966 1.00 0.00 O ATOM 745 CB THR A 49 -3.520 0.515 13.667 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.541 0.292 14.645 1.00 0.00 O ATOM 747 CG2 THR A 49 -3.862 1.747 12.842 1.00 0.00 C ATOM 0 H THR A 49 -2.425 -1.707 14.355 1.00 0.00 H new ATOM 0 HA THR A 49 -4.336 -0.941 12.300 1.00 0.00 H new ATOM 0 HB THR A 49 -2.568 0.686 14.169 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.626 1.084 15.215 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.960 2.610 13.500 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.069 1.932 12.118 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.803 1.583 12.316 1.00 0.00 H new ATOM 755 N MET A 50 -2.699 -0.733 10.436 1.00 0.00 N ATOM 756 CA MET A 50 -1.805 -0.499 9.308 1.00 0.00 C ATOM 757 C MET A 50 -2.090 0.851 8.658 1.00 0.00 C ATOM 758 O MET A 50 -3.132 1.459 8.901 1.00 0.00 O ATOM 759 CB MET A 50 -1.951 -1.617 8.274 1.00 0.00 C ATOM 760 CG MET A 50 -1.009 -2.787 8.507 1.00 0.00 C ATOM 761 SD MET A 50 0.694 -2.410 8.048 1.00 0.00 S ATOM 762 CE MET A 50 1.590 -3.533 9.118 1.00 0.00 C ATOM 0 H MET A 50 -3.600 -1.139 10.183 1.00 0.00 H new ATOM 0 HA MET A 50 -0.782 -0.492 9.683 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.979 -1.980 8.287 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.770 -1.208 7.280 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.043 -3.072 9.559 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.354 -3.646 7.932 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.139 -2.962 9.867 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.887 -4.201 9.615 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.291 -4.120 8.524 1.00 0.00 H new ATOM 772 N SER A 51 -1.158 1.314 7.832 1.00 0.00 N ATOM 773 CA SER A 51 -1.308 2.594 7.150 1.00 0.00 C ATOM 774 C SER A 51 -0.483 2.626 5.867 1.00 0.00 C ATOM 775 O SER A 51 0.671 2.198 5.846 1.00 0.00 O ATOM 776 CB SER A 51 -0.882 3.739 8.072 1.00 0.00 C ATOM 777 OG SER A 51 0.524 3.760 8.244 1.00 0.00 O ATOM 0 H SER A 51 -0.291 0.822 7.619 1.00 0.00 H new ATOM 0 HA SER A 51 -2.359 2.718 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.214 4.689 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.368 3.629 9.041 1.00 0.00 H new ATOM 0 HG SER A 51 0.833 2.872 8.519 1.00 0.00 H new ATOM 783 N VAL A 52 -1.085 3.137 4.797 1.00 0.00 N ATOM 784 CA VAL A 52 -0.408 3.227 3.509 1.00 0.00 C ATOM 785 C VAL A 52 -0.708 4.554 2.822 1.00 0.00 C ATOM 786 O VAL A 52 -1.804 5.099 2.952 1.00 0.00 O ATOM 787 CB VAL A 52 -0.821 2.073 2.576 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.219 2.308 2.024 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.187 1.913 1.448 1.00 0.00 C ATOM 0 H VAL A 52 -2.040 3.495 4.797 1.00 0.00 H new ATOM 0 HA VAL A 52 0.661 3.158 3.708 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.835 1.149 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.494 1.483 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.930 2.368 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.236 3.241 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.121 1.093 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.235 2.836 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.170 1.695 1.866 1.00 0.00 H new ATOM 799 N ASP A 53 0.273 5.070 2.090 1.00 0.00 N ATOM 800 CA ASP A 53 0.114 6.334 1.380 1.00 0.00 C ATOM 801 C ASP A 53 0.008 6.102 -0.125 1.00 0.00 C ATOM 802 O ASP A 53 1.016 5.923 -0.808 1.00 0.00 O ATOM 803 CB ASP A 53 1.289 7.265 1.683 1.00 0.00 C ATOM 804 CG ASP A 53 1.060 8.098 2.929 1.00 0.00 C ATOM 805 OD1 ASP A 53 0.503 7.560 3.909 1.00 0.00 O ATOM 806 OD2 ASP A 53 1.439 9.288 2.924 1.00 0.00 O ATOM 0 H ASP A 53 1.187 4.633 1.973 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.808 6.802 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.196 6.673 1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.454 7.926 0.832 1.00 0.00 H new ATOM 811 N VAL A 54 -1.220 6.106 -0.634 1.00 0.00 N ATOM 812 CA VAL A 54 -1.458 5.897 -2.057 1.00 0.00 C ATOM 813 C VAL A 54 -2.240 7.058 -2.660 1.00 0.00 C ATOM 814 O VAL A 54 -3.124 7.625 -2.017 1.00 0.00 O ATOM 815 CB VAL A 54 -2.228 4.587 -2.310 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.471 4.390 -3.799 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.474 3.404 -1.723 1.00 0.00 C ATOM 0 H VAL A 54 -2.065 6.252 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.481 5.834 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.196 4.653 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.016 3.460 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.056 5.224 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.515 4.345 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.032 2.487 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.491 3.332 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.357 3.544 -0.648 1.00 0.00 H new ATOM 827 N ASP A 55 -1.909 7.407 -3.898 1.00 0.00 N ATOM 828 CA ASP A 55 -2.582 8.500 -4.590 1.00 0.00 C ATOM 829 C ASP A 55 -2.703 9.723 -3.685 1.00 0.00 C ATOM 830 O ASP A 55 -3.760 10.348 -3.608 1.00 0.00 O ATOM 831 CB ASP A 55 -3.968 8.059 -5.060 1.00 0.00 C ATOM 832 CG ASP A 55 -4.809 7.492 -3.933 1.00 0.00 C ATOM 833 OD1 ASP A 55 -5.375 8.289 -3.156 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.900 6.251 -3.828 1.00 0.00 O ATOM 0 H ASP A 55 -1.179 6.949 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.982 8.771 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.486 8.910 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.861 7.308 -5.843 1.00 0.00 H new ATOM 839 N GLY A 56 -1.613 10.057 -3.001 1.00 0.00 N ATOM 840 CA GLY A 56 -1.619 11.202 -2.110 1.00 0.00 C ATOM 841 C GLY A 56 -2.713 11.118 -1.064 1.00 0.00 C ATOM 842 O GLY A 56 -3.212 12.140 -0.592 1.00 0.00 O ATOM 0 H GLY A 56 -0.726 9.555 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.651 11.277 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.749 12.113 -2.695 1.00 0.00 H new ATOM 846 N THR A 57 -3.089 9.895 -0.702 1.00 0.00 N ATOM 847 CA THR A 57 -4.133 9.681 0.292 1.00 0.00 C ATOM 848 C THR A 57 -3.703 8.648 1.328 1.00 0.00 C ATOM 849 O THR A 57 -3.480 7.482 1.002 1.00 0.00 O ATOM 850 CB THR A 57 -5.447 9.216 -0.364 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.878 10.178 -1.333 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.535 9.021 0.681 1.00 0.00 C ATOM 0 H THR A 57 -2.686 9.039 -1.082 1.00 0.00 H new ATOM 0 HA THR A 57 -4.300 10.639 0.785 1.00 0.00 H new ATOM 0 HB THR A 57 -5.263 8.261 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.820 9.787 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.453 8.693 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.217 8.267 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.716 9.963 1.198 1.00 0.00 H new ATOM 860 N THR A 58 -3.589 9.083 2.579 1.00 0.00 N ATOM 861 CA THR A 58 -3.185 8.196 3.663 1.00 0.00 C ATOM 862 C THR A 58 -4.358 7.355 4.151 1.00 0.00 C ATOM 863 O THR A 58 -5.332 7.883 4.689 1.00 0.00 O ATOM 864 CB THR A 58 -2.606 8.988 4.850 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.621 9.918 4.386 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.982 8.051 5.873 1.00 0.00 C ATOM 0 H THR A 58 -3.771 10.045 2.867 1.00 0.00 H new ATOM 0 HA THR A 58 -2.413 7.539 3.263 1.00 0.00 H new ATOM 0 HB THR A 58 -3.422 9.531 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.259 10.418 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.580 8.633 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.741 7.363 6.247 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.178 7.484 5.404 1.00 0.00 H new ATOM 874 N TYR A 59 -4.259 6.044 3.962 1.00 0.00 N ATOM 875 CA TYR A 59 -5.314 5.129 4.382 1.00 0.00 C ATOM 876 C TYR A 59 -4.934 4.418 5.677 1.00 0.00 C ATOM 877 O TYR A 59 -3.780 4.041 5.875 1.00 0.00 O ATOM 878 CB TYR A 59 -5.592 4.100 3.285 1.00 0.00 C ATOM 879 CG TYR A 59 -6.043 4.714 1.979 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.121 5.224 1.074 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.391 4.781 1.649 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.528 5.787 -0.121 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.808 5.341 0.457 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.873 5.842 -0.424 1.00 0.00 C ATOM 885 OH TYR A 59 -7.283 6.400 -1.614 1.00 0.00 O ATOM 0 H TYR A 59 -3.459 5.591 3.521 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.217 5.713 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.689 3.516 3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.357 3.407 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.068 5.180 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.126 4.388 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.798 6.181 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.860 5.386 0.217 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.562 6.952 -1.982 1.00 0.00 H new ATOM 895 N GLU A 60 -5.916 4.240 6.556 1.00 0.00 N ATOM 896 CA GLU A 60 -5.685 3.575 7.833 1.00 0.00 C ATOM 897 C GLU A 60 -6.753 2.517 8.096 1.00 0.00 C ATOM 898 O GLU A 60 -7.943 2.823 8.160 1.00 0.00 O ATOM 899 CB GLU A 60 -5.674 4.598 8.971 1.00 0.00 C ATOM 900 CG GLU A 60 -4.679 5.727 8.765 1.00 0.00 C ATOM 901 CD GLU A 60 -4.769 6.789 9.844 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.123 6.440 10.990 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.486 7.967 9.544 1.00 0.00 O ATOM 0 H GLU A 60 -6.877 4.547 6.407 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.714 3.083 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.673 5.021 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.442 4.087 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.669 5.317 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.854 6.187 7.792 1.00 0.00 H new ATOM 910 N ALA A 61 -6.318 1.270 8.247 1.00 0.00 N ATOM 911 CA ALA A 61 -7.235 0.167 8.504 1.00 0.00 C ATOM 912 C ALA A 61 -6.695 -0.752 9.595 1.00 0.00 C ATOM 913 O ALA A 61 -5.551 -1.200 9.532 1.00 0.00 O ATOM 914 CB ALA A 61 -7.486 -0.619 7.225 1.00 0.00 C ATOM 0 H ALA A 61 -5.336 0.999 8.196 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.180 0.585 8.852 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.173 -1.440 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.922 0.039 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.543 -1.020 6.853 1.00 0.00 H new ATOM 920 N SER A 62 -7.527 -1.028 10.594 1.00 0.00 N ATOM 921 CA SER A 62 -7.132 -1.890 11.702 1.00 0.00 C ATOM 922 C SER A 62 -7.793 -3.260 11.586 1.00 0.00 C ATOM 923 O SER A 62 -8.983 -3.366 11.293 1.00 0.00 O ATOM 924 CB SER A 62 -7.504 -1.243 13.037 1.00 0.00 C ATOM 925 OG SER A 62 -8.888 -0.941 13.090 1.00 0.00 O ATOM 0 H SER A 62 -8.479 -0.667 10.659 1.00 0.00 H new ATOM 0 HA SER A 62 -6.051 -2.022 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.244 -1.915 13.855 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.924 -0.331 13.177 1.00 0.00 H new ATOM 0 HG SER A 62 -9.100 -0.530 13.954 1.00 0.00 H new ATOM 931 N GLY A 63 -7.010 -4.310 11.819 1.00 0.00 N ATOM 932 CA GLY A 63 -7.535 -5.660 11.736 1.00 0.00 C ATOM 933 C GLY A 63 -7.077 -6.532 12.888 1.00 0.00 C ATOM 934 O GLY A 63 -6.324 -6.099 13.762 1.00 0.00 O ATOM 0 H GLY A 63 -6.022 -4.249 12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.624 -5.623 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.221 -6.112 10.795 1.00 0.00 H new ATOM 938 N PRO A 64 -7.536 -7.792 12.901 1.00 0.00 N ATOM 939 CA PRO A 64 -7.182 -8.753 13.950 1.00 0.00 C ATOM 940 C PRO A 64 -5.721 -9.183 13.874 1.00 0.00 C ATOM 941 O PRO A 64 -5.113 -9.530 14.886 1.00 0.00 O ATOM 942 CB PRO A 64 -8.104 -9.942 13.668 1.00 0.00 C ATOM 943 CG PRO A 64 -8.413 -9.845 12.214 1.00 0.00 C ATOM 944 CD PRO A 64 -8.436 -8.376 11.892 1.00 0.00 C ATOM 0 HA PRO A 64 -7.302 -8.330 14.947 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.616 -10.887 13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.011 -9.891 14.270 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.660 -10.363 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.373 -10.309 11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.084 -8.181 10.879 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.443 -7.964 11.965 1.00 0.00 H new ATOM 952 N SER A 65 -5.163 -9.156 12.668 1.00 0.00 N ATOM 953 CA SER A 65 -3.774 -9.546 12.459 1.00 0.00 C ATOM 954 C SER A 65 -3.089 -8.608 11.470 1.00 0.00 C ATOM 955 O SER A 65 -3.732 -7.755 10.857 1.00 0.00 O ATOM 956 CB SER A 65 -3.697 -10.987 11.949 1.00 0.00 C ATOM 957 OG SER A 65 -2.395 -11.518 12.117 1.00 0.00 O ATOM 0 H SER A 65 -5.652 -8.868 11.820 1.00 0.00 H new ATOM 0 HA SER A 65 -3.256 -9.479 13.416 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.417 -11.605 12.485 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.973 -11.018 10.895 1.00 0.00 H new ATOM 0 HG SER A 65 -2.452 -12.487 12.254 1.00 0.00 H new ATOM 963 N LYS A 66 -1.779 -8.771 11.320 1.00 0.00 N ATOM 964 CA LYS A 66 -1.004 -7.941 10.405 1.00 0.00 C ATOM 965 C LYS A 66 -1.456 -8.152 8.963 1.00 0.00 C ATOM 966 O LYS A 66 -1.614 -7.195 8.205 1.00 0.00 O ATOM 967 CB LYS A 66 0.488 -8.259 10.535 1.00 0.00 C ATOM 968 CG LYS A 66 1.392 -7.105 10.138 1.00 0.00 C ATOM 969 CD LYS A 66 1.646 -6.168 11.307 1.00 0.00 C ATOM 970 CE LYS A 66 2.660 -6.752 12.279 1.00 0.00 C ATOM 971 NZ LYS A 66 4.059 -6.469 11.857 1.00 0.00 N ATOM 0 H LYS A 66 -1.231 -9.471 11.821 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.171 -6.897 10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.703 -8.540 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.722 -9.124 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.341 -7.495 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.936 -6.550 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.008 -5.210 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.709 -5.974 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.490 -6.339 13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.514 -7.830 12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.720 -6.883 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.230 -6.885 10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.207 -5.441 11.811 1.00 0.00 H new ATOM 985 N LYS A 67 -1.664 -9.411 8.592 1.00 0.00 N ATOM 986 CA LYS A 67 -2.100 -9.748 7.242 1.00 0.00 C ATOM 987 C LYS A 67 -3.429 -9.073 6.915 1.00 0.00 C ATOM 988 O LYS A 67 -3.540 -8.339 5.933 1.00 0.00 O ATOM 989 CB LYS A 67 -2.236 -11.265 7.092 1.00 0.00 C ATOM 990 CG LYS A 67 -3.172 -11.896 8.108 1.00 0.00 C ATOM 991 CD LYS A 67 -2.944 -13.394 8.221 1.00 0.00 C ATOM 992 CE LYS A 67 -3.507 -13.946 9.522 1.00 0.00 C ATOM 993 NZ LYS A 67 -4.996 -13.952 9.524 1.00 0.00 N ATOM 0 H LYS A 67 -1.538 -10.215 9.207 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.347 -9.386 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.597 -11.491 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.250 -11.721 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.021 -11.430 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.206 -11.705 7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.413 -13.899 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.876 -13.606 8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.140 -14.961 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.145 -13.347 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.340 -14.528 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.347 -12.978 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.343 -14.353 8.629 1.00 0.00 H new ATOM 1007 N THR A 68 -4.435 -9.325 7.746 1.00 0.00 N ATOM 1008 CA THR A 68 -5.756 -8.743 7.546 1.00 0.00 C ATOM 1009 C THR A 68 -5.675 -7.225 7.432 1.00 0.00 C ATOM 1010 O THR A 68 -6.267 -6.628 6.532 1.00 0.00 O ATOM 1011 CB THR A 68 -6.712 -9.109 8.697 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.102 -8.807 9.956 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.079 -10.585 8.646 1.00 0.00 C ATOM 0 H THR A 68 -4.360 -9.929 8.565 1.00 0.00 H new ATOM 0 HA THR A 68 -6.146 -9.155 6.615 1.00 0.00 H new ATOM 0 HB THR A 68 -7.622 -8.520 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.199 -7.850 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.755 -10.821 9.468 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.570 -10.805 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.175 -11.188 8.735 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.939 -6.605 8.349 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.779 -5.156 8.348 1.00 0.00 C ATOM 1023 C ALA A 69 -4.331 -4.653 6.980 1.00 0.00 C ATOM 1024 O ALA A 69 -4.991 -3.813 6.369 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.784 -4.735 9.419 1.00 0.00 C ATOM 0 H ALA A 69 -4.444 -7.084 9.102 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.748 -4.708 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.674 -3.651 9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.146 -5.052 10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.818 -5.200 9.221 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.205 -5.173 6.504 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.668 -4.778 5.207 1.00 0.00 C ATOM 1033 C LYS A 70 -3.702 -4.985 4.104 1.00 0.00 C ATOM 1034 O LYS A 70 -3.798 -4.186 3.171 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.403 -5.578 4.891 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.127 -4.919 5.385 1.00 0.00 C ATOM 1037 CD LYS A 70 0.971 -5.940 5.627 1.00 0.00 C ATOM 1038 CE LYS A 70 1.697 -6.296 4.338 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.848 -7.208 4.583 1.00 0.00 N ATOM 0 H LYS A 70 -2.646 -5.869 6.997 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.418 -3.718 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.488 -6.568 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.334 -5.721 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.212 -4.186 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.331 -4.377 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.684 -5.544 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.541 -6.841 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.999 -6.769 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.052 -5.384 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.316 -7.427 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.527 -6.747 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.507 -8.089 5.018 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.474 -6.059 4.218 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.503 -6.370 3.231 1.00 0.00 C ATOM 1055 C LEU A 71 -6.625 -5.337 3.270 1.00 0.00 C ATOM 1056 O LEU A 71 -7.089 -4.870 2.230 1.00 0.00 O ATOM 1057 CB LEU A 71 -6.072 -7.768 3.481 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.002 -8.317 2.399 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.229 -8.586 1.117 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.694 -9.583 2.883 1.00 0.00 C ATOM 0 H LEU A 71 -4.408 -6.730 4.984 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.044 -6.343 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.239 -8.461 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.615 -7.754 4.426 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.765 -7.568 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.907 -8.976 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.781 -7.658 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.444 -9.316 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.352 -9.960 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.945 -10.338 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.281 -9.359 3.774 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.055 -4.983 4.477 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.120 -4.003 4.652 1.00 0.00 C ATOM 1074 C HIS A 72 -7.743 -2.670 4.014 1.00 0.00 C ATOM 1075 O HIS A 72 -8.419 -2.193 3.102 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.420 -3.804 6.138 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.923 -5.039 6.819 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.627 -5.012 8.004 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -8.822 -6.344 6.473 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -9.936 -6.246 8.359 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.459 -7.074 7.446 1.00 0.00 N ATOM 0 H HIS A 72 -6.682 -5.360 5.348 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.014 -4.383 4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.514 -3.465 6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.160 -3.012 6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.332 -6.738 5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.485 -6.530 9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.549 -8.090 7.462 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.659 -2.073 4.499 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.191 -0.795 3.976 1.00 0.00 C ATOM 1092 C VAL A 73 -6.363 -0.724 2.463 1.00 0.00 C ATOM 1093 O VAL A 73 -6.942 0.226 1.937 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.710 -0.554 4.325 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.131 0.554 3.458 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.558 -0.222 5.801 1.00 0.00 C ATOM 0 H VAL A 73 -6.088 -2.454 5.254 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.798 -0.020 4.445 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.153 -1.469 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.084 0.710 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.205 0.271 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.688 1.476 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.505 -0.055 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.127 0.679 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.932 -1.051 6.401 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.857 -1.737 1.767 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.957 -1.792 0.314 1.00 0.00 C ATOM 1108 C ALA A 74 -7.403 -1.635 -0.143 1.00 0.00 C ATOM 1109 O ALA A 74 -7.721 -0.753 -0.941 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.375 -3.098 -0.207 1.00 0.00 C ATOM 0 H ALA A 74 -5.373 -2.531 2.187 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.382 -0.962 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.457 -3.125 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.326 -3.169 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.925 -3.937 0.219 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.277 -2.497 0.368 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.690 -2.454 0.012 1.00 0.00 C ATOM 1118 C VAL A 75 -10.198 -1.018 -0.050 1.00 0.00 C ATOM 1119 O VAL A 75 -10.914 -0.640 -0.978 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.546 -3.246 1.019 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -12.020 -3.155 0.654 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.092 -4.696 1.078 1.00 0.00 C ATOM 0 H VAL A 75 -8.031 -3.233 1.030 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.782 -2.912 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.413 -2.807 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.609 -3.720 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.334 -2.111 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.174 -3.568 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.707 -5.241 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.194 -5.150 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.048 -4.738 1.390 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.821 -0.219 0.943 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.236 1.177 1.001 1.00 0.00 C ATOM 1134 C LYS A 76 -9.684 1.959 -0.187 1.00 0.00 C ATOM 1135 O LYS A 76 -10.430 2.626 -0.904 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.764 1.817 2.309 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.327 1.147 3.551 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.516 1.495 4.788 1.00 0.00 C ATOM 1139 CE LYS A 76 -9.967 2.814 5.396 1.00 0.00 C ATOM 1140 NZ LYS A 76 -9.248 3.974 4.800 1.00 0.00 N ATOM 0 H LYS A 76 -9.228 -0.515 1.719 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.325 1.208 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.675 1.782 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.049 2.869 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.362 1.456 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.334 0.066 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.617 0.699 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.460 1.556 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.040 2.935 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.796 2.795 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.228 4.758 5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.274 3.695 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.739 4.280 3.936 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.373 1.871 -0.390 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.722 2.568 -1.492 1.00 0.00 C ATOM 1156 C VAL A 77 -8.486 2.369 -2.796 1.00 0.00 C ATOM 1157 O VAL A 77 -8.879 3.334 -3.453 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.271 2.087 -1.682 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.611 2.824 -2.837 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.477 2.271 -0.397 1.00 0.00 C ATOM 0 H VAL A 77 -7.741 1.324 0.195 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.715 3.627 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.287 1.024 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.587 2.471 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.169 2.636 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.604 3.894 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.454 1.926 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.467 3.326 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.940 1.693 0.403 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.695 1.110 -3.166 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.414 0.783 -4.393 1.00 0.00 C ATOM 1172 C LEU A 78 -10.813 1.390 -4.383 1.00 0.00 C ATOM 1173 O LEU A 78 -11.191 2.117 -5.302 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.506 -0.734 -4.564 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.178 -1.492 -4.555 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.419 -2.993 -4.619 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.298 -1.042 -5.712 1.00 0.00 C ATOM 0 H LEU A 78 -8.377 0.300 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.861 1.205 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.134 -1.132 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.015 -0.943 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.660 -1.267 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.463 -3.516 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.009 -3.304 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.958 -3.236 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.357 -1.592 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.809 -1.236 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.096 0.025 -5.622 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.576 1.089 -3.337 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.933 1.607 -3.208 1.00 0.00 C ATOM 1191 C GLN A 79 -12.963 3.116 -3.428 1.00 0.00 C ATOM 1192 O GLN A 79 -13.850 3.637 -4.102 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.501 1.269 -1.828 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.657 -0.223 -1.583 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.000 -0.753 -2.043 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.324 -0.709 -3.230 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.791 -1.257 -1.103 1.00 0.00 N ATOM 0 H GLN A 79 -11.278 0.490 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.550 1.135 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.848 1.688 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.472 1.751 -1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.862 -0.758 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.535 -0.427 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.482 -1.273 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.708 -1.628 -1.353 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.987 3.812 -2.853 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.901 5.261 -2.988 1.00 0.00 C ATOM 1208 C ALA A 80 -11.762 5.669 -4.451 1.00 0.00 C ATOM 1209 O ALA A 80 -12.497 6.527 -4.938 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.733 5.798 -2.175 1.00 0.00 C ATOM 0 H ALA A 80 -11.245 3.396 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.825 5.692 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.681 6.881 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.875 5.546 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.805 5.352 -2.533 1.00 0.00 H new ATOM 1216 N MET A 81 -10.814 5.048 -5.146 1.00 0.00 N ATOM 1217 CA MET A 81 -10.580 5.347 -6.553 1.00 0.00 C ATOM 1218 C MET A 81 -11.762 4.902 -7.408 1.00 0.00 C ATOM 1219 O MET A 81 -11.961 5.398 -8.516 1.00 0.00 O ATOM 1220 CB MET A 81 -9.299 4.662 -7.036 1.00 0.00 C ATOM 1221 CG MET A 81 -8.089 4.951 -6.162 1.00 0.00 C ATOM 1222 SD MET A 81 -6.535 4.836 -7.069 1.00 0.00 S ATOM 1223 CE MET A 81 -5.783 3.419 -6.272 1.00 0.00 C ATOM 0 H MET A 81 -10.196 4.335 -4.757 1.00 0.00 H new ATOM 0 HA MET A 81 -10.467 6.426 -6.655 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.463 3.585 -7.070 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.086 4.985 -8.055 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.184 5.950 -5.736 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.072 4.249 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.064 2.960 -6.950 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.272 3.741 -5.364 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.555 2.693 -6.016 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.544 3.962 -6.885 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.696 3.465 -7.615 1.00 0.00 C ATOM 1235 C GLY A 82 -13.395 2.190 -8.376 1.00 0.00 C ATOM 1236 O GLY A 82 -13.890 1.988 -9.484 1.00 0.00 O ATOM 0 H GLY A 82 -12.400 3.536 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.513 3.283 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.037 4.229 -8.313 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.579 1.327 -7.781 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.208 0.065 -8.412 1.00 0.00 C ATOM 1242 C TYR A 83 -12.921 -1.107 -7.745 1.00 0.00 C ATOM 1243 O TYR A 83 -13.149 -1.122 -6.535 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.694 -0.138 -8.343 1.00 0.00 C ATOM 1245 CG TYR A 83 -9.931 0.630 -9.398 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.073 0.325 -10.747 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.069 1.661 -9.048 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.378 1.024 -11.714 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.371 2.367 -10.009 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.529 2.044 -11.341 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.834 2.743 -12.301 1.00 0.00 O ATOM 0 H TYR A 83 -12.162 1.478 -6.863 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.515 0.106 -9.457 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.340 0.165 -7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.473 -1.200 -8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.738 -0.472 -11.044 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.942 1.916 -8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.499 0.773 -12.757 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.706 3.167 -9.719 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.282 3.429 -11.871 1.00 0.00 H new