USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 639 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 10 HIS : no HD1:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 11 MET CE :methyl -159:sc= -0.212 (180deg=-0.781) USER MOD Single : A 22 THR OG1 : rot 4:sc= 0.897 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.43 K(o=-0.43,f=-2.8!) USER MOD Single : A 36 HIS : no HE2:sc= -3! C(o=-3!,f=-4.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 80:sc= 0.947 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.9) USER MOD Single : A 62 ASN : amide:sc= -4.28! C(o=-4.3!,f=-6.8!) USER MOD Single : A 76 TYR OH : rot 160:sc= -0.089 USER MOD Single : A 81 SER OG : rot 180:sc= 0.005 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0106) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.246 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 12.847 8.592 -0.526 1.00 53.21 N ATOM 147 CA HIS A 10 12.334 8.340 -1.879 1.00 3.34 C ATOM 148 C HIS A 10 10.933 7.699 -1.848 1.00 3.01 C ATOM 149 O HIS A 10 10.635 6.868 -0.989 1.00 23.21 O ATOM 150 CB HIS A 10 13.321 7.469 -2.672 1.00 35.34 C ATOM 151 CG HIS A 10 14.577 8.199 -3.056 1.00 21.54 C ATOM 152 ND1 HIS A 10 15.806 7.587 -3.186 1.00 72.43 N ATOM 153 CD2 HIS A 10 14.782 9.506 -3.357 1.00 2.32 C ATOM 154 CE1 HIS A 10 16.707 8.481 -3.544 1.00 74.03 C ATOM 155 NE2 HIS A 10 16.114 9.652 -3.654 1.00 54.20 N ATOM 0 HA HIS A 10 12.236 9.301 -2.383 1.00 3.34 H new ATOM 0 HB2 HIS A 10 13.584 6.595 -2.076 1.00 35.34 H new ATOM 0 HB3 HIS A 10 12.830 7.104 -3.574 1.00 35.34 H new ATOM 0 HD2 HIS A 10 14.036 10.287 -3.362 1.00 2.32 H new ATOM 0 HE1 HIS A 10 17.755 8.286 -3.718 1.00 74.03 H new ATOM 0 HE2 HIS A 10 16.571 10.525 -3.917 1.00 54.20 H new ATOM 164 N MET A 11 10.081 8.104 -2.795 1.00 23.25 N ATOM 165 CA MET A 11 8.680 7.651 -2.843 1.00 24.15 C ATOM 166 C MET A 11 8.541 6.227 -3.416 1.00 70.31 C ATOM 167 O MET A 11 9.319 5.805 -4.277 1.00 23.13 O ATOM 168 CB MET A 11 7.842 8.629 -3.676 1.00 2.45 C ATOM 169 CG MET A 11 7.875 10.062 -3.158 1.00 73.13 C ATOM 170 SD MET A 11 6.893 11.189 -4.169 1.00 70.43 S ATOM 171 CE MET A 11 7.694 11.016 -5.764 1.00 12.31 C ATOM 0 H MET A 11 10.335 8.748 -3.544 1.00 23.25 H new ATOM 0 HA MET A 11 8.314 7.626 -1.817 1.00 24.15 H new ATOM 0 HB2 MET A 11 8.201 8.616 -4.705 1.00 2.45 H new ATOM 0 HB3 MET A 11 6.809 8.283 -3.695 1.00 2.45 H new ATOM 0 HG2 MET A 11 7.504 10.082 -2.133 1.00 73.13 H new ATOM 0 HG3 MET A 11 8.907 10.411 -3.130 1.00 73.13 H new ATOM 0 HE1 MET A 11 7.468 11.886 -6.381 1.00 12.31 H new ATOM 0 HE2 MET A 11 8.772 10.941 -5.623 1.00 12.31 H new ATOM 0 HE3 MET A 11 7.329 10.116 -6.259 1.00 12.31 H new ATOM 181 N VAL A 12 7.522 5.503 -2.945 1.00 34.42 N ATOM 182 CA VAL A 12 7.288 4.105 -3.341 1.00 15.35 C ATOM 183 C VAL A 12 5.790 3.829 -3.598 1.00 75.42 C ATOM 184 O VAL A 12 4.921 4.412 -2.953 1.00 63.54 O ATOM 185 CB VAL A 12 7.821 3.140 -2.243 1.00 71.55 C ATOM 186 CG1 VAL A 12 7.347 1.709 -2.476 1.00 43.41 C ATOM 187 CG2 VAL A 12 9.349 3.195 -2.172 1.00 13.21 C ATOM 0 H VAL A 12 6.837 5.864 -2.281 1.00 34.42 H new ATOM 0 HA VAL A 12 7.827 3.931 -4.272 1.00 15.35 H new ATOM 0 HB VAL A 12 7.415 3.472 -1.287 1.00 71.55 H new ATOM 0 HG11 VAL A 12 7.739 1.063 -1.690 1.00 43.41 H new ATOM 0 HG12 VAL A 12 6.258 1.680 -2.461 1.00 43.41 H new ATOM 0 HG13 VAL A 12 7.706 1.360 -3.444 1.00 43.41 H new ATOM 0 HG21 VAL A 12 9.702 2.513 -1.398 1.00 13.21 H new ATOM 0 HG22 VAL A 12 9.769 2.901 -3.134 1.00 13.21 H new ATOM 0 HG23 VAL A 12 9.666 4.210 -1.933 1.00 13.21 H new ATOM 197 N VAL A 13 5.493 2.942 -4.552 1.00 31.04 N ATOM 198 CA VAL A 13 4.101 2.583 -4.883 1.00 42.30 C ATOM 199 C VAL A 13 3.891 1.058 -4.929 1.00 53.32 C ATOM 200 O VAL A 13 4.846 0.283 -5.007 1.00 52.54 O ATOM 201 CB VAL A 13 3.652 3.196 -6.236 1.00 74.34 C ATOM 202 CG1 VAL A 13 3.574 4.717 -6.145 1.00 52.43 C ATOM 203 CG2 VAL A 13 4.586 2.768 -7.370 1.00 33.23 C ATOM 0 H VAL A 13 6.194 2.457 -5.112 1.00 31.04 H new ATOM 0 HA VAL A 13 3.489 2.999 -4.083 1.00 42.30 H new ATOM 0 HB VAL A 13 2.655 2.817 -6.460 1.00 74.34 H new ATOM 0 HG11 VAL A 13 3.257 5.123 -7.106 1.00 52.43 H new ATOM 0 HG12 VAL A 13 2.854 4.999 -5.377 1.00 52.43 H new ATOM 0 HG13 VAL A 13 4.555 5.117 -5.888 1.00 52.43 H new ATOM 0 HG21 VAL A 13 4.248 3.212 -8.307 1.00 33.23 H new ATOM 0 HG22 VAL A 13 5.600 3.105 -7.153 1.00 33.23 H new ATOM 0 HG23 VAL A 13 4.576 1.682 -7.459 1.00 33.23 H new ATOM 213 N ILE A 14 2.623 0.644 -4.888 1.00 15.14 N ATOM 214 CA ILE A 14 2.260 -0.778 -4.904 1.00 52.31 C ATOM 215 C ILE A 14 1.536 -1.155 -6.218 1.00 2.32 C ATOM 216 O ILE A 14 0.784 -0.351 -6.775 1.00 71.34 O ATOM 217 CB ILE A 14 1.355 -1.114 -3.682 1.00 50.41 C ATOM 218 CG1 ILE A 14 1.322 -2.629 -3.414 1.00 43.03 C ATOM 219 CG2 ILE A 14 -0.062 -0.567 -3.875 1.00 0.25 C ATOM 220 CD1 ILE A 14 2.615 -3.175 -2.841 1.00 25.02 C ATOM 0 H ILE A 14 1.824 1.277 -4.843 1.00 15.14 H new ATOM 0 HA ILE A 14 3.179 -1.362 -4.842 1.00 52.31 H new ATOM 0 HB ILE A 14 1.789 -0.626 -2.809 1.00 50.41 H new ATOM 0 HG12 ILE A 14 0.508 -2.849 -2.724 1.00 43.03 H new ATOM 0 HG13 ILE A 14 1.100 -3.149 -4.346 1.00 43.03 H new ATOM 0 HG21 ILE A 14 -0.670 -0.817 -3.006 1.00 0.25 H new ATOM 0 HG22 ILE A 14 -0.021 0.516 -3.990 1.00 0.25 H new ATOM 0 HG23 ILE A 14 -0.505 -1.010 -4.767 1.00 0.25 H new ATOM 0 HD11 ILE A 14 2.516 -4.248 -2.679 1.00 25.02 H new ATOM 0 HD12 ILE A 14 3.430 -2.987 -3.539 1.00 25.02 H new ATOM 0 HD13 ILE A 14 2.829 -2.683 -1.892 1.00 25.02 H new ATOM 232 N ARG A 15 1.771 -2.374 -6.718 1.00 63.12 N ATOM 233 CA ARG A 15 1.144 -2.844 -7.970 1.00 20.11 C ATOM 234 C ARG A 15 0.370 -4.164 -7.787 1.00 24.32 C ATOM 235 O ARG A 15 0.578 -4.895 -6.816 1.00 44.14 O ATOM 236 CB ARG A 15 2.199 -3.037 -9.073 1.00 11.41 C ATOM 237 CG ARG A 15 2.850 -1.748 -9.569 1.00 22.31 C ATOM 238 CD ARG A 15 3.651 -1.990 -10.852 1.00 14.40 C ATOM 239 NE ARG A 15 4.317 -0.782 -11.335 1.00 22.24 N ATOM 240 CZ ARG A 15 4.500 -0.487 -12.598 1.00 3.11 C ATOM 241 NH1 ARG A 15 4.034 -1.247 -13.535 1.00 31.42 N ATOM 242 NH2 ARG A 15 5.159 0.577 -12.916 1.00 51.24 N ATOM 0 H ARG A 15 2.389 -3.056 -6.279 1.00 63.12 H new ATOM 0 HA ARG A 15 0.434 -2.069 -8.261 1.00 20.11 H new ATOM 0 HB2 ARG A 15 2.979 -3.700 -8.698 1.00 11.41 H new ATOM 0 HB3 ARG A 15 1.732 -3.540 -9.919 1.00 11.41 H new ATOM 0 HG2 ARG A 15 2.082 -0.997 -9.753 1.00 22.31 H new ATOM 0 HG3 ARG A 15 3.507 -1.349 -8.797 1.00 22.31 H new ATOM 0 HD2 ARG A 15 4.397 -2.764 -10.670 1.00 14.40 H new ATOM 0 HD3 ARG A 15 2.984 -2.367 -11.627 1.00 14.40 H new ATOM 0 HE ARG A 15 4.664 -0.122 -10.639 1.00 22.24 H new ATOM 0 HH11 ARG A 15 3.514 -2.092 -13.296 1.00 31.42 H new ATOM 0 HH12 ARG A 15 4.186 -1.002 -14.513 1.00 31.42 H new ATOM 0 HH21 ARG A 15 5.534 1.182 -12.185 1.00 51.24 H new ATOM 0 HH22 ARG A 15 5.305 0.812 -13.898 1.00 51.24 H new ATOM 256 N ARG A 16 -0.503 -4.456 -8.764 1.00 64.25 N ATOM 257 CA ARG A 16 -1.319 -5.686 -8.797 1.00 35.41 C ATOM 258 C ARG A 16 -2.342 -5.755 -7.645 1.00 15.10 C ATOM 259 O ARG A 16 -2.506 -6.793 -6.996 1.00 70.34 O ATOM 260 CB ARG A 16 -0.428 -6.941 -8.804 1.00 64.32 C ATOM 261 CG ARG A 16 0.540 -7.008 -9.987 1.00 63.54 C ATOM 262 CD ARG A 16 1.148 -8.400 -10.164 1.00 13.30 C ATOM 263 NE ARG A 16 1.762 -8.910 -8.936 1.00 51.23 N ATOM 264 CZ ARG A 16 2.596 -9.918 -8.892 1.00 34.10 C ATOM 265 NH1 ARG A 16 3.007 -10.483 -9.980 1.00 31.52 N ATOM 266 NH2 ARG A 16 3.038 -10.339 -7.750 1.00 45.03 N ATOM 0 H ARG A 16 -0.666 -3.841 -9.562 1.00 64.25 H new ATOM 0 HA ARG A 16 -1.888 -5.653 -9.726 1.00 35.41 H new ATOM 0 HB2 ARG A 16 0.144 -6.973 -7.877 1.00 64.32 H new ATOM 0 HB3 ARG A 16 -1.064 -7.826 -8.817 1.00 64.32 H new ATOM 0 HG2 ARG A 16 0.015 -6.725 -10.899 1.00 63.54 H new ATOM 0 HG3 ARG A 16 1.339 -6.281 -9.841 1.00 63.54 H new ATOM 0 HD2 ARG A 16 0.372 -9.092 -10.491 1.00 13.30 H new ATOM 0 HD3 ARG A 16 1.899 -8.366 -10.954 1.00 13.30 H new ATOM 0 HE ARG A 16 1.524 -8.450 -8.057 1.00 51.23 H new ATOM 0 HH11 ARG A 16 2.681 -10.144 -10.885 1.00 31.52 H new ATOM 0 HH12 ARG A 16 3.657 -11.268 -9.933 1.00 31.52 H new ATOM 0 HH21 ARG A 16 2.736 -9.885 -6.888 1.00 45.03 H new ATOM 0 HH22 ARG A 16 3.688 -11.124 -7.713 1.00 45.03 H new ATOM 280 N LEU A 17 -3.049 -4.648 -7.416 1.00 21.43 N ATOM 281 CA LEU A 17 -4.120 -4.593 -6.407 1.00 12.01 C ATOM 282 C LEU A 17 -5.516 -4.641 -7.056 1.00 21.24 C ATOM 283 O LEU A 17 -5.954 -3.668 -7.673 1.00 14.31 O ATOM 284 CB LEU A 17 -3.992 -3.319 -5.549 1.00 32.21 C ATOM 285 CG LEU A 17 -3.061 -3.422 -4.326 1.00 44.00 C ATOM 286 CD1 LEU A 17 -3.622 -4.404 -3.299 1.00 25.24 C ATOM 287 CD2 LEU A 17 -1.651 -3.827 -4.743 1.00 64.21 C ATOM 0 H LEU A 17 -2.902 -3.771 -7.916 1.00 21.43 H new ATOM 0 HA LEU A 17 -4.009 -5.471 -5.770 1.00 12.01 H new ATOM 0 HB2 LEU A 17 -3.635 -2.510 -6.186 1.00 32.21 H new ATOM 0 HB3 LEU A 17 -4.986 -3.037 -5.202 1.00 32.21 H new ATOM 0 HG LEU A 17 -3.006 -2.437 -3.863 1.00 44.00 H new ATOM 0 HD11 LEU A 17 -2.948 -4.461 -2.444 1.00 25.24 H new ATOM 0 HD12 LEU A 17 -4.602 -4.062 -2.967 1.00 25.24 H new ATOM 0 HD13 LEU A 17 -3.716 -5.391 -3.753 1.00 25.24 H new ATOM 0 HD21 LEU A 17 -1.015 -3.892 -3.860 1.00 64.21 H new ATOM 0 HD22 LEU A 17 -1.683 -4.797 -5.240 1.00 64.21 H new ATOM 0 HD23 LEU A 17 -1.246 -3.082 -5.428 1.00 64.21 H new ATOM 299 N PRO A 18 -6.221 -5.783 -6.951 1.00 1.22 N ATOM 300 CA PRO A 18 -7.613 -5.898 -7.407 1.00 34.42 C ATOM 301 C PRO A 18 -8.623 -5.427 -6.337 1.00 33.31 C ATOM 302 O PRO A 18 -8.363 -5.540 -5.137 1.00 55.43 O ATOM 303 CB PRO A 18 -7.749 -7.402 -7.661 1.00 52.13 C ATOM 304 CG PRO A 18 -6.852 -8.033 -6.645 1.00 13.33 C ATOM 305 CD PRO A 18 -5.717 -7.062 -6.406 1.00 60.23 C ATOM 0 HA PRO A 18 -7.826 -5.276 -8.276 1.00 34.42 H new ATOM 0 HB2 PRO A 18 -8.780 -7.734 -7.541 1.00 52.13 H new ATOM 0 HB3 PRO A 18 -7.446 -7.663 -8.675 1.00 52.13 H new ATOM 0 HG2 PRO A 18 -7.394 -8.231 -5.720 1.00 13.33 H new ATOM 0 HG3 PRO A 18 -6.474 -8.990 -7.004 1.00 13.33 H new ATOM 0 HD2 PRO A 18 -5.480 -6.978 -5.345 1.00 60.23 H new ATOM 0 HD3 PRO A 18 -4.806 -7.380 -6.912 1.00 60.23 H new ATOM 313 N PRO A 19 -9.790 -4.887 -6.755 1.00 44.43 N ATOM 314 CA PRO A 19 -10.813 -4.401 -5.811 1.00 60.14 C ATOM 315 C PRO A 19 -11.383 -5.518 -4.914 1.00 42.10 C ATOM 316 O PRO A 19 -12.023 -6.454 -5.396 1.00 33.04 O ATOM 317 CB PRO A 19 -11.912 -3.830 -6.725 1.00 40.23 C ATOM 318 CG PRO A 19 -11.691 -4.482 -8.050 1.00 51.03 C ATOM 319 CD PRO A 19 -10.206 -4.704 -8.158 1.00 2.54 C ATOM 0 HA PRO A 19 -10.397 -3.672 -5.115 1.00 60.14 H new ATOM 0 HB2 PRO A 19 -12.905 -4.054 -6.336 1.00 40.23 H new ATOM 0 HB3 PRO A 19 -11.837 -2.745 -6.802 1.00 40.23 H new ATOM 0 HG2 PRO A 19 -12.233 -5.425 -8.116 1.00 51.03 H new ATOM 0 HG3 PRO A 19 -12.051 -3.850 -8.861 1.00 51.03 H new ATOM 0 HD2 PRO A 19 -9.973 -5.579 -8.765 1.00 2.54 H new ATOM 0 HD3 PRO A 19 -9.704 -3.853 -8.619 1.00 2.54 H new ATOM 327 N GLY A 20 -11.141 -5.410 -3.608 1.00 43.11 N ATOM 328 CA GLY A 20 -11.665 -6.394 -2.664 1.00 10.03 C ATOM 329 C GLY A 20 -11.702 -5.878 -1.230 1.00 61.32 C ATOM 330 O GLY A 20 -12.771 -5.626 -0.675 1.00 25.34 O ATOM 0 H GLY A 20 -10.593 -4.661 -3.184 1.00 43.11 H new ATOM 0 HA2 GLY A 20 -12.672 -6.681 -2.968 1.00 10.03 H new ATOM 0 HA3 GLY A 20 -11.051 -7.293 -2.706 1.00 10.03 H new ATOM 334 N LEU A 21 -10.529 -5.722 -0.626 1.00 22.12 N ATOM 335 CA LEU A 21 -10.435 -5.237 0.756 1.00 24.41 C ATOM 336 C LEU A 21 -10.380 -3.700 0.833 1.00 73.31 C ATOM 337 O LEU A 21 -10.044 -3.018 -0.136 1.00 63.51 O ATOM 338 CB LEU A 21 -9.219 -5.850 1.478 1.00 50.21 C ATOM 339 CG LEU A 21 -7.829 -5.291 1.112 1.00 75.41 C ATOM 340 CD1 LEU A 21 -6.757 -5.983 1.947 1.00 43.24 C ATOM 341 CD2 LEU A 21 -7.522 -5.436 -0.380 1.00 10.24 C ATOM 0 H LEU A 21 -9.630 -5.922 -1.065 1.00 22.12 H new ATOM 0 HA LEU A 21 -11.345 -5.560 1.262 1.00 24.41 H new ATOM 0 HB2 LEU A 21 -9.363 -5.722 2.551 1.00 50.21 H new ATOM 0 HB3 LEU A 21 -9.215 -6.922 1.282 1.00 50.21 H new ATOM 0 HG LEU A 21 -7.832 -4.224 1.335 1.00 75.41 H new ATOM 0 HD11 LEU A 21 -5.777 -5.584 1.684 1.00 43.24 H new ATOM 0 HD12 LEU A 21 -6.949 -5.806 3.005 1.00 43.24 H new ATOM 0 HD13 LEU A 21 -6.777 -7.055 1.749 1.00 43.24 H new ATOM 0 HD21 LEU A 21 -6.533 -5.028 -0.589 1.00 10.24 H new ATOM 0 HD22 LEU A 21 -7.546 -6.490 -0.656 1.00 10.24 H new ATOM 0 HD23 LEU A 21 -8.268 -4.893 -0.960 1.00 10.24 H new ATOM 353 N THR A 22 -10.713 -3.170 2.009 1.00 50.02 N ATOM 354 CA THR A 22 -10.724 -1.723 2.260 1.00 52.43 C ATOM 355 C THR A 22 -9.414 -1.276 2.918 1.00 73.04 C ATOM 356 O THR A 22 -8.740 -2.081 3.564 1.00 5.30 O ATOM 357 CB THR A 22 -11.924 -1.340 3.172 1.00 33.55 C ATOM 358 OG1 THR A 22 -13.154 -1.701 2.526 1.00 35.25 O ATOM 359 CG2 THR A 22 -11.947 0.151 3.493 1.00 63.41 C ATOM 0 H THR A 22 -10.984 -3.729 2.818 1.00 50.02 H new ATOM 0 HA THR A 22 -10.827 -1.215 1.301 1.00 52.43 H new ATOM 0 HB THR A 22 -11.810 -1.884 4.109 1.00 33.55 H new ATOM 0 HG1 THR A 22 -12.958 -2.162 1.684 1.00 35.25 H new ATOM 0 HG21 THR A 22 -12.802 0.372 4.132 1.00 63.41 H new ATOM 0 HG22 THR A 22 -11.027 0.426 4.009 1.00 63.41 H new ATOM 0 HG23 THR A 22 -12.029 0.721 2.568 1.00 63.41 H new ATOM 367 N LYS A 23 -9.057 0.004 2.751 1.00 64.40 N ATOM 368 CA LYS A 23 -7.811 0.564 3.302 1.00 72.53 C ATOM 369 C LYS A 23 -7.515 0.083 4.735 1.00 2.24 C ATOM 370 O LYS A 23 -6.367 -0.185 5.073 1.00 23.11 O ATOM 371 CB LYS A 23 -7.839 2.099 3.251 1.00 44.15 C ATOM 372 CG LYS A 23 -8.948 2.747 4.080 1.00 73.25 C ATOM 373 CD LYS A 23 -8.878 4.272 4.013 1.00 41.31 C ATOM 374 CE LYS A 23 -7.523 4.792 4.487 1.00 35.24 C ATOM 375 NZ LYS A 23 -7.422 6.271 4.405 1.00 72.34 N ATOM 0 H LYS A 23 -9.619 0.680 2.233 1.00 64.40 H new ATOM 0 HA LYS A 23 -7.002 0.195 2.672 1.00 72.53 H new ATOM 0 HB2 LYS A 23 -6.877 2.478 3.597 1.00 44.15 H new ATOM 0 HB3 LYS A 23 -7.950 2.412 2.213 1.00 44.15 H new ATOM 0 HG2 LYS A 23 -9.919 2.410 3.717 1.00 73.25 H new ATOM 0 HG3 LYS A 23 -8.865 2.423 5.117 1.00 73.25 H new ATOM 0 HD2 LYS A 23 -9.057 4.601 2.989 1.00 41.31 H new ATOM 0 HD3 LYS A 23 -9.669 4.701 4.628 1.00 41.31 H new ATOM 0 HE2 LYS A 23 -7.356 4.476 5.517 1.00 35.24 H new ATOM 0 HE3 LYS A 23 -6.734 4.343 3.884 1.00 35.24 H new ATOM 0 HZ1 LYS A 23 -6.484 6.574 4.738 1.00 72.34 H new ATOM 0 HZ2 LYS A 23 -7.554 6.574 3.419 1.00 72.34 H new ATOM 0 HZ3 LYS A 23 -8.157 6.703 5.001 1.00 72.34 H new ATOM 389 N GLU A 24 -8.552 -0.059 5.558 1.00 1.33 N ATOM 390 CA GLU A 24 -8.393 -0.534 6.945 1.00 3.30 C ATOM 391 C GLU A 24 -7.665 -1.892 7.014 1.00 63.50 C ATOM 392 O GLU A 24 -6.816 -2.112 7.881 1.00 44.13 O ATOM 393 CB GLU A 24 -9.768 -0.640 7.614 1.00 1.33 C ATOM 394 CG GLU A 24 -10.537 0.676 7.635 1.00 12.45 C ATOM 395 CD GLU A 24 -11.935 0.535 8.216 1.00 22.41 C ATOM 396 OE1 GLU A 24 -12.075 0.580 9.456 1.00 21.31 O ATOM 397 OE2 GLU A 24 -12.896 0.375 7.432 1.00 10.32 O ATOM 0 H GLU A 24 -9.516 0.147 5.295 1.00 1.33 H new ATOM 0 HA GLU A 24 -7.777 0.192 7.476 1.00 3.30 H new ATOM 0 HB2 GLU A 24 -10.361 -1.390 7.091 1.00 1.33 H new ATOM 0 HB3 GLU A 24 -9.639 -0.993 8.637 1.00 1.33 H new ATOM 0 HG2 GLU A 24 -9.979 1.408 8.218 1.00 12.45 H new ATOM 0 HG3 GLU A 24 -10.609 1.065 6.619 1.00 12.45 H new ATOM 404 N GLN A 25 -8.008 -2.799 6.099 1.00 42.24 N ATOM 405 CA GLN A 25 -7.365 -4.123 6.023 1.00 40.43 C ATOM 406 C GLN A 25 -6.233 -4.137 4.985 1.00 60.45 C ATOM 407 O GLN A 25 -5.477 -5.100 4.877 1.00 32.03 O ATOM 408 CB GLN A 25 -8.396 -5.193 5.640 1.00 55.33 C ATOM 409 CG GLN A 25 -9.658 -5.179 6.489 1.00 43.50 C ATOM 410 CD GLN A 25 -10.625 -6.285 6.102 1.00 4.02 C ATOM 411 OE1 GLN A 25 -10.585 -7.381 6.650 1.00 43.12 O ATOM 412 NE2 GLN A 25 -11.483 -6.017 5.140 1.00 11.22 N ATOM 0 H GLN A 25 -8.730 -2.646 5.395 1.00 42.24 H new ATOM 0 HA GLN A 25 -6.947 -4.339 7.006 1.00 40.43 H new ATOM 0 HB2 GLN A 25 -8.674 -5.056 4.595 1.00 55.33 H new ATOM 0 HB3 GLN A 25 -7.930 -6.175 5.719 1.00 55.33 H new ATOM 0 HG2 GLN A 25 -9.388 -5.287 7.539 1.00 43.50 H new ATOM 0 HG3 GLN A 25 -10.153 -4.213 6.384 1.00 43.50 H new ATOM 0 HE21 GLN A 25 -11.490 -5.094 4.705 1.00 11.22 H new ATOM 0 HE22 GLN A 25 -12.141 -6.732 4.830 1.00 11.22 H new ATOM 421 N LEU A 26 -6.143 -3.067 4.210 1.00 72.34 N ATOM 422 CA LEU A 26 -5.193 -2.974 3.101 1.00 40.30 C ATOM 423 C LEU A 26 -3.856 -2.328 3.521 1.00 63.53 C ATOM 424 O LEU A 26 -2.784 -2.844 3.204 1.00 11.44 O ATOM 425 CB LEU A 26 -5.850 -2.189 1.958 1.00 52.23 C ATOM 426 CG LEU A 26 -4.906 -1.647 0.872 1.00 70.03 C ATOM 427 CD1 LEU A 26 -4.347 -2.783 0.018 1.00 4.43 C ATOM 428 CD2 LEU A 26 -5.620 -0.606 0.011 1.00 53.32 C ATOM 0 H LEU A 26 -6.724 -2.237 4.328 1.00 72.34 H new ATOM 0 HA LEU A 26 -4.947 -3.983 2.769 1.00 40.30 H new ATOM 0 HB2 LEU A 26 -6.587 -2.834 1.480 1.00 52.23 H new ATOM 0 HB3 LEU A 26 -6.394 -1.348 2.389 1.00 52.23 H new ATOM 0 HG LEU A 26 -4.064 -1.158 1.362 1.00 70.03 H new ATOM 0 HD11 LEU A 26 -3.682 -2.373 -0.743 1.00 4.43 H new ATOM 0 HD12 LEU A 26 -3.791 -3.475 0.651 1.00 4.43 H new ATOM 0 HD13 LEU A 26 -5.168 -3.313 -0.465 1.00 4.43 H new ATOM 0 HD21 LEU A 26 -4.936 -0.234 -0.752 1.00 53.32 H new ATOM 0 HD22 LEU A 26 -6.486 -1.063 -0.469 1.00 53.32 H new ATOM 0 HD23 LEU A 26 -5.948 0.222 0.639 1.00 53.32 H new ATOM 440 N GLU A 27 -3.917 -1.208 4.237 1.00 75.03 N ATOM 441 CA GLU A 27 -2.703 -0.479 4.625 1.00 10.15 C ATOM 442 C GLU A 27 -1.924 -1.196 5.738 1.00 72.52 C ATOM 443 O GLU A 27 -0.743 -0.914 5.953 1.00 15.20 O ATOM 444 CB GLU A 27 -3.049 0.951 5.059 1.00 63.42 C ATOM 445 CG GLU A 27 -3.888 1.037 6.328 1.00 13.24 C ATOM 446 CD GLU A 27 -4.318 2.459 6.646 1.00 45.23 C ATOM 447 OE1 GLU A 27 -5.257 2.964 5.997 1.00 35.24 O ATOM 448 OE2 GLU A 27 -3.715 3.081 7.543 1.00 21.04 O ATOM 0 H GLU A 27 -4.786 -0.784 4.561 1.00 75.03 H new ATOM 0 HA GLU A 27 -2.059 -0.442 3.747 1.00 10.15 H new ATOM 0 HB2 GLU A 27 -2.123 1.506 5.212 1.00 63.42 H new ATOM 0 HB3 GLU A 27 -3.586 1.444 4.249 1.00 63.42 H new ATOM 0 HG2 GLU A 27 -4.772 0.409 6.218 1.00 13.24 H new ATOM 0 HG3 GLU A 27 -3.316 0.638 7.166 1.00 13.24 H new ATOM 455 N GLU A 28 -2.573 -2.137 6.426 1.00 3.31 N ATOM 456 CA GLU A 28 -1.934 -2.868 7.529 1.00 23.24 C ATOM 457 C GLU A 28 -0.613 -3.530 7.093 1.00 71.51 C ATOM 458 O GLU A 28 0.338 -3.610 7.874 1.00 33.53 O ATOM 459 CB GLU A 28 -2.886 -3.923 8.114 1.00 51.30 C ATOM 460 CG GLU A 28 -3.308 -5.002 7.123 1.00 74.31 C ATOM 461 CD GLU A 28 -4.098 -6.125 7.782 1.00 43.32 C ATOM 462 OE1 GLU A 28 -5.319 -5.968 7.982 1.00 53.34 O ATOM 463 OE2 GLU A 28 -3.490 -7.163 8.133 1.00 54.02 O ATOM 0 H GLU A 28 -3.538 -2.412 6.242 1.00 3.31 H new ATOM 0 HA GLU A 28 -1.701 -2.136 8.302 1.00 23.24 H new ATOM 0 HB2 GLU A 28 -2.403 -4.398 8.968 1.00 51.30 H new ATOM 0 HB3 GLU A 28 -3.778 -3.422 8.490 1.00 51.30 H new ATOM 0 HG2 GLU A 28 -3.912 -4.551 6.336 1.00 74.31 H new ATOM 0 HG3 GLU A 28 -2.421 -5.418 6.645 1.00 74.31 H new ATOM 470 N GLN A 29 -0.556 -4.003 5.846 1.00 3.02 N ATOM 471 CA GLN A 29 0.676 -4.591 5.298 1.00 1.55 C ATOM 472 C GLN A 29 1.456 -3.594 4.423 1.00 13.41 C ATOM 473 O GLN A 29 2.586 -3.868 4.026 1.00 63.44 O ATOM 474 CB GLN A 29 0.375 -5.860 4.484 1.00 22.24 C ATOM 475 CG GLN A 29 -0.716 -5.699 3.420 1.00 2.24 C ATOM 476 CD GLN A 29 -2.095 -6.097 3.925 1.00 20.25 C ATOM 477 OE1 GLN A 29 -2.225 -6.965 4.777 1.00 31.34 O ATOM 478 NE2 GLN A 29 -3.129 -5.473 3.409 1.00 33.42 N ATOM 0 H GLN A 29 -1.343 -3.992 5.197 1.00 3.02 H new ATOM 0 HA GLN A 29 1.297 -4.853 6.154 1.00 1.55 H new ATOM 0 HB2 GLN A 29 1.293 -6.187 3.996 1.00 22.24 H new ATOM 0 HB3 GLN A 29 0.079 -6.653 5.171 1.00 22.24 H new ATOM 0 HG2 GLN A 29 -0.742 -4.662 3.086 1.00 2.24 H new ATOM 0 HG3 GLN A 29 -0.463 -6.307 2.551 1.00 2.24 H new ATOM 0 HE21 GLN A 29 -2.989 -4.753 2.700 1.00 33.42 H new ATOM 0 HE22 GLN A 29 -4.072 -5.708 3.717 1.00 33.42 H new ATOM 487 N LEU A 30 0.858 -2.440 4.133 1.00 74.54 N ATOM 488 CA LEU A 30 1.499 -1.434 3.273 1.00 32.24 C ATOM 489 C LEU A 30 2.293 -0.393 4.080 1.00 62.12 C ATOM 490 O LEU A 30 3.209 0.236 3.556 1.00 24.44 O ATOM 491 CB LEU A 30 0.453 -0.727 2.401 1.00 10.32 C ATOM 492 CG LEU A 30 -0.290 -1.633 1.406 1.00 54.40 C ATOM 493 CD1 LEU A 30 -1.296 -0.822 0.595 1.00 33.20 C ATOM 494 CD2 LEU A 30 0.695 -2.354 0.484 1.00 32.33 C ATOM 0 H LEU A 30 -0.065 -2.175 4.477 1.00 74.54 H new ATOM 0 HA LEU A 30 2.206 -1.967 2.637 1.00 32.24 H new ATOM 0 HB2 LEU A 30 -0.280 -0.253 3.054 1.00 10.32 H new ATOM 0 HB3 LEU A 30 0.946 0.070 1.844 1.00 10.32 H new ATOM 0 HG LEU A 30 -0.834 -2.389 1.972 1.00 54.40 H new ATOM 0 HD11 LEU A 30 -1.813 -1.479 -0.105 1.00 33.20 H new ATOM 0 HD12 LEU A 30 -2.022 -0.365 1.268 1.00 33.20 H new ATOM 0 HD13 LEU A 30 -0.773 -0.042 0.041 1.00 33.20 H new ATOM 0 HD21 LEU A 30 0.145 -2.989 -0.211 1.00 32.33 H new ATOM 0 HD22 LEU A 30 1.274 -1.619 -0.076 1.00 32.33 H new ATOM 0 HD23 LEU A 30 1.369 -2.968 1.081 1.00 32.33 H new ATOM 506 N ARG A 31 1.945 -0.203 5.356 1.00 72.54 N ATOM 507 CA ARG A 31 2.655 0.777 6.193 1.00 71.41 C ATOM 508 C ARG A 31 3.022 0.264 7.612 1.00 31.41 C ATOM 509 O ARG A 31 2.987 1.036 8.569 1.00 73.44 O ATOM 510 CB ARG A 31 1.838 2.087 6.260 1.00 42.23 C ATOM 511 CG ARG A 31 0.371 1.936 6.685 1.00 72.23 C ATOM 512 CD ARG A 31 0.184 1.905 8.201 1.00 65.02 C ATOM 513 NE ARG A 31 -1.213 2.126 8.580 1.00 44.43 N ATOM 514 CZ ARG A 31 -1.648 2.173 9.811 1.00 23.24 C ATOM 515 NH1 ARG A 31 -0.845 1.986 10.810 1.00 60.03 N ATOM 516 NH2 ARG A 31 -2.896 2.412 10.042 1.00 4.34 N ATOM 0 H ARG A 31 1.191 -0.703 5.828 1.00 72.54 H new ATOM 0 HA ARG A 31 3.615 0.961 5.712 1.00 71.41 H new ATOM 0 HB2 ARG A 31 2.331 2.766 6.956 1.00 42.23 H new ATOM 0 HB3 ARG A 31 1.866 2.561 5.279 1.00 42.23 H new ATOM 0 HG2 ARG A 31 -0.207 2.762 6.271 1.00 72.23 H new ATOM 0 HG3 ARG A 31 -0.032 1.018 6.257 1.00 72.23 H new ATOM 0 HD2 ARG A 31 0.518 0.943 8.589 1.00 65.02 H new ATOM 0 HD3 ARG A 31 0.811 2.669 8.661 1.00 65.02 H new ATOM 0 HE ARG A 31 -1.894 2.252 7.831 1.00 44.43 H new ATOM 0 HH11 ARG A 31 0.143 1.799 10.642 1.00 60.03 H new ATOM 0 HH12 ARG A 31 -1.201 2.026 11.765 1.00 60.03 H new ATOM 0 HH21 ARG A 31 -3.539 2.563 9.265 1.00 4.34 H new ATOM 0 HH22 ARG A 31 -3.239 2.449 11.002 1.00 4.34 H new ATOM 530 N PRO A 32 3.453 -1.015 7.776 1.00 31.40 N ATOM 531 CA PRO A 32 3.930 -1.522 9.074 1.00 74.24 C ATOM 532 C PRO A 32 5.433 -1.247 9.297 1.00 53.14 C ATOM 533 O PRO A 32 6.091 -1.905 10.109 1.00 72.01 O ATOM 534 CB PRO A 32 3.663 -3.024 8.949 1.00 62.14 C ATOM 535 CG PRO A 32 3.894 -3.321 7.504 1.00 1.25 C ATOM 536 CD PRO A 32 3.505 -2.074 6.741 1.00 73.23 C ATOM 0 HA PRO A 32 3.438 -1.046 9.922 1.00 74.24 H new ATOM 0 HB2 PRO A 32 4.333 -3.601 9.586 1.00 62.14 H new ATOM 0 HB3 PRO A 32 2.645 -3.273 9.249 1.00 62.14 H new ATOM 0 HG2 PRO A 32 4.938 -3.577 7.323 1.00 1.25 H new ATOM 0 HG3 PRO A 32 3.296 -4.174 7.183 1.00 1.25 H new ATOM 0 HD2 PRO A 32 4.234 -1.838 5.966 1.00 73.23 H new ATOM 0 HD3 PRO A 32 2.541 -2.195 6.246 1.00 73.23 H new ATOM 544 N LEU A 33 5.958 -0.258 8.575 1.00 71.44 N ATOM 545 CA LEU A 33 7.393 0.065 8.577 1.00 11.43 C ATOM 546 C LEU A 33 7.822 0.795 9.866 1.00 12.43 C ATOM 547 O LEU A 33 6.989 1.360 10.576 1.00 42.30 O ATOM 548 CB LEU A 33 7.726 0.944 7.358 1.00 63.53 C ATOM 549 CG LEU A 33 7.629 0.274 5.972 1.00 22.10 C ATOM 550 CD1 LEU A 33 6.210 -0.195 5.668 1.00 43.00 C ATOM 551 CD2 LEU A 33 8.105 1.236 4.895 1.00 54.51 C ATOM 0 H LEU A 33 5.403 0.346 7.969 1.00 71.44 H new ATOM 0 HA LEU A 33 7.942 -0.876 8.528 1.00 11.43 H new ATOM 0 HB2 LEU A 33 7.058 1.805 7.367 1.00 63.53 H new ATOM 0 HB3 LEU A 33 8.739 1.326 7.481 1.00 63.53 H new ATOM 0 HG LEU A 33 8.272 -0.606 5.983 1.00 22.10 H new ATOM 0 HD11 LEU A 33 6.184 -0.661 4.683 1.00 43.00 H new ATOM 0 HD12 LEU A 33 5.897 -0.919 6.420 1.00 43.00 H new ATOM 0 HD13 LEU A 33 5.533 0.659 5.683 1.00 43.00 H new ATOM 0 HD21 LEU A 33 8.033 0.755 3.920 1.00 54.51 H new ATOM 0 HD22 LEU A 33 7.482 2.130 4.905 1.00 54.51 H new ATOM 0 HD23 LEU A 33 9.141 1.513 5.087 1.00 54.51 H new ATOM 563 N PRO A 34 9.135 0.789 10.188 1.00 21.24 N ATOM 564 CA PRO A 34 9.687 1.538 11.333 1.00 20.43 C ATOM 565 C PRO A 34 9.676 3.068 11.118 1.00 70.14 C ATOM 566 O PRO A 34 8.865 3.782 11.716 1.00 1.12 O ATOM 567 CB PRO A 34 11.135 1.011 11.459 1.00 72.04 C ATOM 568 CG PRO A 34 11.199 -0.196 10.575 1.00 52.42 C ATOM 569 CD PRO A 34 10.187 0.032 9.490 1.00 50.30 C ATOM 0 HA PRO A 34 9.089 1.385 12.231 1.00 20.43 H new ATOM 0 HB2 PRO A 34 11.856 1.766 11.146 1.00 72.04 H new ATOM 0 HB3 PRO A 34 11.371 0.754 12.492 1.00 72.04 H new ATOM 0 HG2 PRO A 34 12.198 -0.321 10.157 1.00 52.42 H new ATOM 0 HG3 PRO A 34 10.972 -1.103 11.136 1.00 52.42 H new ATOM 0 HD2 PRO A 34 10.606 0.595 8.656 1.00 50.30 H new ATOM 0 HD3 PRO A 34 9.810 -0.906 9.084 1.00 50.30 H new ATOM 577 N ALA A 35 10.561 3.570 10.249 1.00 61.41 N ATOM 578 CA ALA A 35 10.674 5.015 9.998 1.00 75.22 C ATOM 579 C ALA A 35 10.096 5.391 8.625 1.00 52.10 C ATOM 580 O ALA A 35 10.795 5.369 7.608 1.00 42.23 O ATOM 581 CB ALA A 35 12.130 5.460 10.106 1.00 70.03 C ATOM 0 H ALA A 35 11.210 2.999 9.707 1.00 61.41 H new ATOM 0 HA ALA A 35 10.090 5.535 10.758 1.00 75.22 H new ATOM 0 HB1 ALA A 35 12.198 6.531 9.918 1.00 70.03 H new ATOM 0 HB2 ALA A 35 12.504 5.243 11.107 1.00 70.03 H new ATOM 0 HB3 ALA A 35 12.730 4.924 9.371 1.00 70.03 H new ATOM 587 N HIS A 36 8.818 5.762 8.599 1.00 13.41 N ATOM 588 CA HIS A 36 8.119 5.988 7.331 1.00 71.40 C ATOM 589 C HIS A 36 6.994 7.028 7.453 1.00 23.02 C ATOM 590 O HIS A 36 6.819 7.673 8.484 1.00 52.45 O ATOM 591 CB HIS A 36 7.516 4.668 6.836 1.00 14.31 C ATOM 592 CG HIS A 36 6.344 4.215 7.656 1.00 42.02 C ATOM 593 ND1 HIS A 36 5.048 4.229 7.187 1.00 74.21 N ATOM 594 CD2 HIS A 36 6.273 3.752 8.927 1.00 32.32 C ATOM 595 CE1 HIS A 36 4.235 3.799 8.131 1.00 42.44 C ATOM 596 NE2 HIS A 36 4.951 3.504 9.192 1.00 71.41 N ATOM 0 H HIS A 36 8.248 5.912 9.431 1.00 13.41 H new ATOM 0 HA HIS A 36 8.855 6.372 6.625 1.00 71.40 H new ATOM 0 HB2 HIS A 36 7.203 4.784 5.798 1.00 14.31 H new ATOM 0 HB3 HIS A 36 8.284 3.895 6.852 1.00 14.31 H new ATOM 0 HD1 HIS A 36 4.762 4.526 6.254 1.00 74.21 H new ATOM 0 HD2 HIS A 36 7.102 3.606 9.604 1.00 32.32 H new ATOM 0 HE1 HIS A 36 3.162 3.705 8.047 1.00 42.44 H new ATOM 605 N ASP A 37 6.246 7.158 6.367 1.00 50.23 N ATOM 606 CA ASP A 37 5.041 7.986 6.295 1.00 72.34 C ATOM 607 C ASP A 37 3.964 7.184 5.525 1.00 72.15 C ATOM 608 O ASP A 37 4.170 5.995 5.256 1.00 60.24 O ATOM 609 CB ASP A 37 5.392 9.310 5.593 1.00 62.43 C ATOM 610 CG ASP A 37 4.240 10.299 5.544 1.00 13.23 C ATOM 611 OD1 ASP A 37 3.954 10.939 6.569 1.00 31.14 O ATOM 612 OD2 ASP A 37 3.613 10.438 4.476 1.00 63.34 O ATOM 0 H ASP A 37 6.461 6.683 5.490 1.00 50.23 H new ATOM 0 HA ASP A 37 4.652 8.230 7.284 1.00 72.34 H new ATOM 0 HB2 ASP A 37 6.234 9.772 6.108 1.00 62.43 H new ATOM 0 HB3 ASP A 37 5.719 9.096 4.576 1.00 62.43 H new ATOM 617 N TYR A 38 2.826 7.785 5.181 1.00 52.41 N ATOM 618 CA TYR A 38 1.818 7.071 4.383 1.00 73.23 C ATOM 619 C TYR A 38 0.889 8.023 3.618 1.00 74.00 C ATOM 620 O TYR A 38 0.607 9.139 4.059 1.00 4.21 O ATOM 621 CB TYR A 38 0.997 6.104 5.257 1.00 10.12 C ATOM 622 CG TYR A 38 0.136 6.764 6.324 1.00 11.32 C ATOM 623 CD1 TYR A 38 0.650 7.060 7.581 1.00 43.20 C ATOM 624 CD2 TYR A 38 -1.200 7.070 6.074 1.00 54.04 C ATOM 625 CE1 TYR A 38 -0.140 7.644 8.557 1.00 72.42 C ATOM 626 CE2 TYR A 38 -1.996 7.649 7.045 1.00 21.54 C ATOM 627 CZ TYR A 38 -1.462 7.936 8.285 1.00 24.22 C ATOM 628 OH TYR A 38 -2.257 8.507 9.258 1.00 52.42 O ATOM 0 H TYR A 38 2.578 8.742 5.433 1.00 52.41 H new ATOM 0 HA TYR A 38 2.367 6.491 3.641 1.00 73.23 H new ATOM 0 HB2 TYR A 38 0.352 5.512 4.608 1.00 10.12 H new ATOM 0 HB3 TYR A 38 1.682 5.410 5.744 1.00 10.12 H new ATOM 0 HD1 TYR A 38 1.682 6.831 7.800 1.00 43.20 H new ATOM 0 HD2 TYR A 38 -1.622 6.851 5.104 1.00 54.04 H new ATOM 0 HE1 TYR A 38 0.276 7.870 9.527 1.00 72.42 H new ATOM 0 HE2 TYR A 38 -3.031 7.876 6.834 1.00 21.54 H new ATOM 0 HH TYR A 38 -3.159 8.648 8.902 1.00 52.42 H new ATOM 638 N PHE A 39 0.420 7.557 2.463 1.00 73.31 N ATOM 639 CA PHE A 39 -0.448 8.344 1.580 1.00 21.32 C ATOM 640 C PHE A 39 -1.900 7.833 1.573 1.00 23.41 C ATOM 641 O PHE A 39 -2.317 7.055 2.433 1.00 13.14 O ATOM 642 CB PHE A 39 0.110 8.311 0.144 1.00 14.32 C ATOM 643 CG PHE A 39 0.954 9.501 -0.227 1.00 14.20 C ATOM 644 CD1 PHE A 39 2.297 9.564 0.115 1.00 43.41 C ATOM 645 CD2 PHE A 39 0.393 10.559 -0.924 1.00 63.30 C ATOM 646 CE1 PHE A 39 3.060 10.662 -0.234 1.00 35.24 C ATOM 647 CE2 PHE A 39 1.150 11.656 -1.275 1.00 61.01 C ATOM 648 CZ PHE A 39 2.487 11.710 -0.930 1.00 74.43 C ATOM 0 H PHE A 39 0.629 6.623 2.110 1.00 73.31 H new ATOM 0 HA PHE A 39 -0.460 9.364 1.964 1.00 21.32 H new ATOM 0 HB2 PHE A 39 0.706 7.407 0.020 1.00 14.32 H new ATOM 0 HB3 PHE A 39 -0.724 8.241 -0.554 1.00 14.32 H new ATOM 0 HD1 PHE A 39 2.750 8.748 0.659 1.00 43.41 H new ATOM 0 HD2 PHE A 39 -0.652 10.524 -1.196 1.00 63.30 H new ATOM 0 HE1 PHE A 39 4.105 10.701 0.037 1.00 35.24 H new ATOM 0 HE2 PHE A 39 0.699 12.473 -1.819 1.00 61.01 H new ATOM 0 HZ PHE A 39 3.083 12.568 -1.203 1.00 74.43 H new ATOM 658 N GLU A 40 -2.660 8.312 0.593 1.00 1.32 N ATOM 659 CA GLU A 40 -4.042 7.879 0.374 1.00 62.13 C ATOM 660 C GLU A 40 -4.140 6.388 -0.014 1.00 43.54 C ATOM 661 O GLU A 40 -3.571 5.947 -1.019 1.00 13.40 O ATOM 662 CB GLU A 40 -4.686 8.765 -0.709 1.00 13.41 C ATOM 663 CG GLU A 40 -3.836 8.919 -1.970 1.00 64.34 C ATOM 664 CD GLU A 40 -4.447 9.877 -2.981 1.00 13.21 C ATOM 665 OE1 GLU A 40 -4.232 11.104 -2.850 1.00 11.13 O ATOM 666 OE2 GLU A 40 -5.147 9.413 -3.908 1.00 73.25 O ATOM 0 H GLU A 40 -2.337 9.013 -0.074 1.00 1.32 H new ATOM 0 HA GLU A 40 -4.582 7.990 1.314 1.00 62.13 H new ATOM 0 HB2 GLU A 40 -5.652 8.342 -0.984 1.00 13.41 H new ATOM 0 HB3 GLU A 40 -4.878 9.753 -0.290 1.00 13.41 H new ATOM 0 HG2 GLU A 40 -2.844 9.275 -1.692 1.00 64.34 H new ATOM 0 HG3 GLU A 40 -3.705 7.942 -2.436 1.00 64.34 H new ATOM 673 N PHE A 41 -4.859 5.616 0.803 1.00 0.02 N ATOM 674 CA PHE A 41 -5.122 4.198 0.518 1.00 21.41 C ATOM 675 C PHE A 41 -6.577 4.001 0.065 1.00 2.14 C ATOM 676 O PHE A 41 -7.502 4.558 0.662 1.00 63.21 O ATOM 677 CB PHE A 41 -4.837 3.337 1.755 1.00 74.23 C ATOM 678 CG PHE A 41 -3.408 3.407 2.233 1.00 43.15 C ATOM 679 CD1 PHE A 41 -2.403 2.737 1.552 1.00 55.13 C ATOM 680 CD2 PHE A 41 -3.070 4.141 3.363 1.00 51.35 C ATOM 681 CE1 PHE A 41 -1.093 2.796 1.988 1.00 64.21 C ATOM 682 CE2 PHE A 41 -1.761 4.202 3.801 1.00 3.03 C ATOM 683 CZ PHE A 41 -0.771 3.528 3.112 1.00 62.24 C ATOM 0 H PHE A 41 -5.273 5.949 1.674 1.00 0.02 H new ATOM 0 HA PHE A 41 -4.458 3.884 -0.287 1.00 21.41 H new ATOM 0 HB2 PHE A 41 -5.496 3.652 2.564 1.00 74.23 H new ATOM 0 HB3 PHE A 41 -5.083 2.300 1.528 1.00 74.23 H new ATOM 0 HD1 PHE A 41 -2.647 2.162 0.671 1.00 55.13 H new ATOM 0 HD2 PHE A 41 -3.839 4.670 3.905 1.00 51.35 H new ATOM 0 HE1 PHE A 41 -0.321 2.268 1.448 1.00 64.21 H new ATOM 0 HE2 PHE A 41 -1.512 4.776 4.681 1.00 3.03 H new ATOM 0 HZ PHE A 41 0.253 3.574 3.453 1.00 62.24 H new ATOM 693 N PHE A 42 -6.776 3.210 -0.988 1.00 43.12 N ATOM 694 CA PHE A 42 -8.111 3.024 -1.574 1.00 22.24 C ATOM 695 C PHE A 42 -9.012 2.108 -0.726 1.00 21.33 C ATOM 696 O PHE A 42 -8.551 1.399 0.171 1.00 34.14 O ATOM 697 CB PHE A 42 -8.004 2.478 -3.009 1.00 60.43 C ATOM 698 CG PHE A 42 -7.465 1.067 -3.124 1.00 10.02 C ATOM 699 CD1 PHE A 42 -8.325 -0.027 -3.085 1.00 13.14 C ATOM 700 CD2 PHE A 42 -6.105 0.834 -3.292 1.00 45.35 C ATOM 701 CE1 PHE A 42 -7.837 -1.316 -3.205 1.00 52.25 C ATOM 702 CE2 PHE A 42 -5.615 -0.453 -3.412 1.00 15.13 C ATOM 703 CZ PHE A 42 -6.483 -1.528 -3.368 1.00 12.14 C ATOM 0 H PHE A 42 -6.035 2.687 -1.455 1.00 43.12 H new ATOM 0 HA PHE A 42 -8.580 4.008 -1.595 1.00 22.24 H new ATOM 0 HB2 PHE A 42 -8.992 2.511 -3.468 1.00 60.43 H new ATOM 0 HB3 PHE A 42 -7.362 3.143 -3.587 1.00 60.43 H new ATOM 0 HD1 PHE A 42 -9.386 0.132 -2.960 1.00 13.14 H new ATOM 0 HD2 PHE A 42 -5.422 1.670 -3.329 1.00 45.35 H new ATOM 0 HE1 PHE A 42 -8.515 -2.156 -3.171 1.00 52.25 H new ATOM 0 HE2 PHE A 42 -4.555 -0.618 -3.540 1.00 15.13 H new ATOM 0 HZ PHE A 42 -6.101 -2.534 -3.461 1.00 12.14 H new ATOM 713 N ALA A 43 -10.307 2.130 -1.035 1.00 32.15 N ATOM 714 CA ALA A 43 -11.295 1.305 -0.336 1.00 54.20 C ATOM 715 C ALA A 43 -12.074 0.417 -1.318 1.00 3.21 C ATOM 716 O ALA A 43 -12.272 0.782 -2.479 1.00 62.02 O ATOM 717 CB ALA A 43 -12.254 2.194 0.448 1.00 1.10 C ATOM 0 H ALA A 43 -10.701 2.715 -1.772 1.00 32.15 H new ATOM 0 HA ALA A 43 -10.764 0.652 0.357 1.00 54.20 H new ATOM 0 HB1 ALA A 43 -12.986 1.573 0.965 1.00 1.10 H new ATOM 0 HB2 ALA A 43 -11.694 2.779 1.178 1.00 1.10 H new ATOM 0 HB3 ALA A 43 -12.769 2.867 -0.238 1.00 1.10 H new ATOM 723 N ALA A 44 -12.517 -0.746 -0.850 1.00 73.55 N ATOM 724 CA ALA A 44 -13.256 -1.682 -1.700 1.00 33.21 C ATOM 725 C ALA A 44 -14.060 -2.696 -0.873 1.00 45.23 C ATOM 726 O ALA A 44 -13.654 -3.092 0.224 1.00 12.24 O ATOM 727 CB ALA A 44 -12.302 -2.404 -2.647 1.00 2.21 C ATOM 0 H ALA A 44 -12.379 -1.065 0.109 1.00 73.55 H new ATOM 0 HA ALA A 44 -13.969 -1.101 -2.286 1.00 33.21 H new ATOM 0 HB1 ALA A 44 -12.865 -3.096 -3.273 1.00 2.21 H new ATOM 0 HB2 ALA A 44 -11.795 -1.675 -3.279 1.00 2.21 H new ATOM 0 HB3 ALA A 44 -11.563 -2.958 -2.067 1.00 2.21 H new ATOM 733 N ASP A 45 -15.213 -3.095 -1.406 1.00 40.23 N ATOM 734 CA ASP A 45 -16.061 -4.110 -0.777 1.00 31.52 C ATOM 735 C ASP A 45 -15.925 -5.460 -1.495 1.00 41.22 C ATOM 736 O ASP A 45 -16.295 -5.586 -2.662 1.00 70.13 O ATOM 737 CB ASP A 45 -17.523 -3.653 -0.802 1.00 41.04 C ATOM 738 CG ASP A 45 -17.722 -2.349 -0.059 1.00 72.20 C ATOM 739 OD1 ASP A 45 -17.844 -2.384 1.182 1.00 64.21 O ATOM 740 OD2 ASP A 45 -17.750 -1.280 -0.707 1.00 63.21 O ATOM 0 H ASP A 45 -15.586 -2.727 -2.281 1.00 40.23 H new ATOM 0 HA ASP A 45 -15.737 -4.237 0.256 1.00 31.52 H new ATOM 0 HB2 ASP A 45 -17.848 -3.535 -1.836 1.00 41.04 H new ATOM 0 HB3 ASP A 45 -18.152 -4.424 -0.356 1.00 41.04 H new ATOM 745 N LEU A 46 -15.378 -6.461 -0.804 1.00 62.03 N ATOM 746 CA LEU A 46 -15.254 -7.811 -1.374 1.00 23.00 C ATOM 747 C LEU A 46 -16.633 -8.399 -1.727 1.00 22.51 C ATOM 748 O LEU A 46 -16.758 -9.219 -2.640 1.00 70.32 O ATOM 749 CB LEU A 46 -14.501 -8.759 -0.417 1.00 63.21 C ATOM 750 CG LEU A 46 -15.173 -9.028 0.947 1.00 13.52 C ATOM 751 CD1 LEU A 46 -14.592 -10.280 1.599 1.00 54.51 C ATOM 752 CD2 LEU A 46 -15.015 -7.832 1.884 1.00 43.03 C ATOM 0 H LEU A 46 -15.015 -6.368 0.145 1.00 62.03 H new ATOM 0 HA LEU A 46 -14.674 -7.719 -2.292 1.00 23.00 H new ATOM 0 HB2 LEU A 46 -14.359 -9.714 -0.923 1.00 63.21 H new ATOM 0 HB3 LEU A 46 -13.510 -8.344 -0.234 1.00 63.21 H new ATOM 0 HG LEU A 46 -16.236 -9.186 0.765 1.00 13.52 H new ATOM 0 HD11 LEU A 46 -15.080 -10.450 2.559 1.00 54.51 H new ATOM 0 HD12 LEU A 46 -14.759 -11.139 0.949 1.00 54.51 H new ATOM 0 HD13 LEU A 46 -13.522 -10.146 1.755 1.00 54.51 H new ATOM 0 HD21 LEU A 46 -15.498 -8.050 2.837 1.00 43.03 H new ATOM 0 HD22 LEU A 46 -13.955 -7.638 2.050 1.00 43.03 H new ATOM 0 HD23 LEU A 46 -15.479 -6.954 1.435 1.00 43.03 H new ATOM 866 N TYR A 53 -10.453 0.053 -10.727 1.00 21.02 N ATOM 867 CA TYR A 53 -9.138 -0.210 -10.131 1.00 64.30 C ATOM 868 C TYR A 53 -8.587 1.040 -9.424 1.00 60.14 C ATOM 869 O TYR A 53 -8.781 2.169 -9.881 1.00 0.23 O ATOM 870 CB TYR A 53 -8.148 -0.677 -11.218 1.00 71.53 C ATOM 871 CG TYR A 53 -6.679 -0.582 -10.816 1.00 24.04 C ATOM 872 CD1 TYR A 53 -6.084 -1.546 -10.007 1.00 65.12 C ATOM 873 CD2 TYR A 53 -5.892 0.486 -11.243 1.00 34.52 C ATOM 874 CE1 TYR A 53 -4.752 -1.448 -9.641 1.00 23.34 C ATOM 875 CE2 TYR A 53 -4.564 0.590 -10.881 1.00 61.53 C ATOM 876 CZ TYR A 53 -3.998 -0.379 -10.081 1.00 15.10 C ATOM 877 OH TYR A 53 -2.671 -0.276 -9.721 1.00 4.30 O ATOM 0 HA TYR A 53 -9.257 -0.998 -9.387 1.00 64.30 H new ATOM 0 HB2 TYR A 53 -8.375 -1.711 -11.479 1.00 71.53 H new ATOM 0 HB3 TYR A 53 -8.306 -0.080 -12.116 1.00 71.53 H new ATOM 0 HD1 TYR A 53 -6.670 -2.384 -9.659 1.00 65.12 H new ATOM 0 HD2 TYR A 53 -6.330 1.248 -11.870 1.00 34.52 H new ATOM 0 HE1 TYR A 53 -4.305 -2.205 -9.014 1.00 23.34 H new ATOM 0 HE2 TYR A 53 -3.972 1.426 -11.223 1.00 61.53 H new ATOM 0 HH TYR A 53 -2.131 -0.861 -10.292 1.00 4.30 H new ATOM 887 N SER A 54 -7.881 0.827 -8.320 1.00 74.12 N ATOM 888 CA SER A 54 -7.250 1.920 -7.573 1.00 13.11 C ATOM 889 C SER A 54 -5.881 1.489 -7.035 1.00 5.32 C ATOM 890 O SER A 54 -5.669 0.317 -6.725 1.00 75.23 O ATOM 891 CB SER A 54 -8.153 2.373 -6.420 1.00 10.34 C ATOM 892 OG SER A 54 -9.419 2.820 -6.893 1.00 60.05 O ATOM 0 H SER A 54 -7.728 -0.097 -7.916 1.00 74.12 H new ATOM 0 HA SER A 54 -7.105 2.759 -8.254 1.00 13.11 H new ATOM 0 HB2 SER A 54 -8.295 1.548 -5.722 1.00 10.34 H new ATOM 0 HB3 SER A 54 -7.665 3.177 -5.869 1.00 10.34 H new ATOM 0 HG SER A 54 -9.972 3.100 -6.134 1.00 60.05 H new ATOM 898 N ARG A 55 -4.955 2.438 -6.924 1.00 4.34 N ATOM 899 CA ARG A 55 -3.577 2.135 -6.516 1.00 20.52 C ATOM 900 C ARG A 55 -3.200 2.844 -5.205 1.00 12.40 C ATOM 901 O ARG A 55 -3.521 4.016 -5.006 1.00 74.25 O ATOM 902 CB ARG A 55 -2.610 2.539 -7.640 1.00 42.21 C ATOM 903 CG ARG A 55 -1.147 2.209 -7.360 1.00 43.21 C ATOM 904 CD ARG A 55 -0.267 2.502 -8.572 1.00 23.32 C ATOM 905 NE ARG A 55 -0.679 1.727 -9.742 1.00 22.10 N ATOM 906 CZ ARG A 55 -0.212 1.896 -10.951 1.00 55.32 C ATOM 907 NH1 ARG A 55 0.682 2.804 -11.195 1.00 54.24 N ATOM 908 NH2 ARG A 55 -0.644 1.151 -11.919 1.00 44.24 N ATOM 0 H ARG A 55 -5.130 3.426 -7.110 1.00 4.34 H new ATOM 0 HA ARG A 55 -3.503 1.063 -6.336 1.00 20.52 H new ATOM 0 HB2 ARG A 55 -2.913 2.040 -8.560 1.00 42.21 H new ATOM 0 HB3 ARG A 55 -2.701 3.611 -7.814 1.00 42.21 H new ATOM 0 HG2 ARG A 55 -0.798 2.791 -6.507 1.00 43.21 H new ATOM 0 HG3 ARG A 55 -1.055 1.157 -7.088 1.00 43.21 H new ATOM 0 HD2 ARG A 55 -0.313 3.566 -8.806 1.00 23.32 H new ATOM 0 HD3 ARG A 55 0.771 2.273 -8.331 1.00 23.32 H new ATOM 0 HE ARG A 55 -1.382 1.001 -9.604 1.00 22.10 H new ATOM 0 HH11 ARG A 55 1.028 3.395 -10.439 1.00 54.24 H new ATOM 0 HH12 ARG A 55 1.039 2.927 -12.143 1.00 54.24 H new ATOM 0 HH21 ARG A 55 -1.347 0.435 -11.737 1.00 44.24 H new ATOM 0 HH22 ARG A 55 -0.281 1.281 -12.863 1.00 44.24 H new ATOM 922 N ALA A 56 -2.521 2.126 -4.310 1.00 24.12 N ATOM 923 CA ALA A 56 -2.079 2.695 -3.029 1.00 43.12 C ATOM 924 C ALA A 56 -0.653 3.261 -3.122 1.00 15.25 C ATOM 925 O ALA A 56 0.193 2.737 -3.854 1.00 53.24 O ATOM 926 CB ALA A 56 -2.162 1.641 -1.931 1.00 4.31 C ATOM 0 H ALA A 56 -2.263 1.148 -4.445 1.00 24.12 H new ATOM 0 HA ALA A 56 -2.745 3.522 -2.783 1.00 43.12 H new ATOM 0 HB1 ALA A 56 -1.832 2.073 -0.986 1.00 4.31 H new ATOM 0 HB2 ALA A 56 -3.192 1.298 -1.833 1.00 4.31 H new ATOM 0 HB3 ALA A 56 -1.521 0.797 -2.187 1.00 4.31 H new ATOM 932 N TYR A 57 -0.393 4.336 -2.378 1.00 24.42 N ATOM 933 CA TYR A 57 0.910 5.015 -2.412 1.00 51.11 C ATOM 934 C TYR A 57 1.588 5.000 -1.032 1.00 43.22 C ATOM 935 O TYR A 57 0.945 5.228 -0.003 1.00 15.42 O ATOM 936 CB TYR A 57 0.731 6.461 -2.899 1.00 30.21 C ATOM 937 CG TYR A 57 0.074 6.567 -4.266 1.00 34.15 C ATOM 938 CD1 TYR A 57 -1.311 6.558 -4.397 1.00 44.21 C ATOM 939 CD2 TYR A 57 0.839 6.672 -5.424 1.00 42.23 C ATOM 940 CE1 TYR A 57 -1.912 6.650 -5.640 1.00 31.54 C ATOM 941 CE2 TYR A 57 0.244 6.764 -6.669 1.00 43.43 C ATOM 942 CZ TYR A 57 -1.129 6.751 -6.772 1.00 45.51 C ATOM 943 OH TYR A 57 -1.725 6.840 -8.011 1.00 34.44 O ATOM 0 H TYR A 57 -1.068 4.759 -1.741 1.00 24.42 H new ATOM 0 HA TYR A 57 1.556 4.476 -3.105 1.00 51.11 H new ATOM 0 HB2 TYR A 57 0.130 7.008 -2.173 1.00 30.21 H new ATOM 0 HB3 TYR A 57 1.706 6.946 -2.935 1.00 30.21 H new ATOM 0 HD1 TYR A 57 -1.927 6.478 -3.514 1.00 44.21 H new ATOM 0 HD2 TYR A 57 1.916 6.682 -5.349 1.00 42.23 H new ATOM 0 HE1 TYR A 57 -2.989 6.643 -5.724 1.00 31.54 H new ATOM 0 HE2 TYR A 57 0.854 6.846 -7.557 1.00 43.43 H new ATOM 0 HH TYR A 57 -1.034 6.906 -8.703 1.00 34.44 H new ATOM 953 N ILE A 58 2.894 4.734 -1.022 1.00 14.03 N ATOM 954 CA ILE A 58 3.670 4.639 0.222 1.00 2.44 C ATOM 955 C ILE A 58 4.770 5.715 0.280 1.00 62.40 C ATOM 956 O ILE A 58 5.400 6.036 -0.729 1.00 5.11 O ATOM 957 CB ILE A 58 4.323 3.236 0.364 1.00 64.41 C ATOM 958 CG1 ILE A 58 3.253 2.134 0.258 1.00 61.22 C ATOM 959 CG2 ILE A 58 5.075 3.119 1.692 1.00 33.10 C ATOM 960 CD1 ILE A 58 3.811 0.725 0.309 1.00 24.12 C ATOM 0 H ILE A 58 3.444 4.579 -1.867 1.00 14.03 H new ATOM 0 HA ILE A 58 2.974 4.799 1.046 1.00 2.44 H new ATOM 0 HB ILE A 58 5.039 3.109 -0.448 1.00 64.41 H new ATOM 0 HG12 ILE A 58 2.536 2.259 1.069 1.00 61.22 H new ATOM 0 HG13 ILE A 58 2.705 2.263 -0.675 1.00 61.22 H new ATOM 0 HG21 ILE A 58 5.524 2.129 1.770 1.00 33.10 H new ATOM 0 HG22 ILE A 58 5.857 3.877 1.735 1.00 33.10 H new ATOM 0 HG23 ILE A 58 4.380 3.268 2.518 1.00 33.10 H new ATOM 0 HD11 ILE A 58 2.995 0.007 0.228 1.00 24.12 H new ATOM 0 HD12 ILE A 58 4.506 0.579 -0.518 1.00 24.12 H new ATOM 0 HD13 ILE A 58 4.334 0.575 1.253 1.00 24.12 H new ATOM 972 N ASN A 59 5.000 6.266 1.471 1.00 13.22 N ATOM 973 CA ASN A 59 6.037 7.288 1.666 1.00 31.13 C ATOM 974 C ASN A 59 6.997 6.882 2.800 1.00 45.54 C ATOM 975 O ASN A 59 6.599 6.228 3.765 1.00 21.13 O ATOM 976 CB ASN A 59 5.386 8.648 1.957 1.00 15.54 C ATOM 977 CG ASN A 59 6.392 9.782 2.063 1.00 74.14 C ATOM 978 OD1 ASN A 59 7.486 9.718 1.506 1.00 24.54 O ATOM 979 ND2 ASN A 59 6.032 10.831 2.771 1.00 12.30 N ATOM 0 H ASN A 59 4.484 6.024 2.317 1.00 13.22 H new ATOM 0 HA ASN A 59 6.622 7.373 0.750 1.00 31.13 H new ATOM 0 HB2 ASN A 59 4.671 8.878 1.167 1.00 15.54 H new ATOM 0 HB3 ASN A 59 4.823 8.582 2.888 1.00 15.54 H new ATOM 0 HD21 ASN A 59 6.668 11.622 2.870 1.00 12.30 H new ATOM 0 HD22 ASN A 59 5.117 10.853 3.221 1.00 12.30 H new ATOM 986 N PHE A 60 8.262 7.280 2.680 1.00 13.23 N ATOM 987 CA PHE A 60 9.313 6.863 3.622 1.00 41.44 C ATOM 988 C PHE A 60 9.966 8.047 4.348 1.00 13.43 C ATOM 989 O PHE A 60 9.669 9.212 4.076 1.00 23.32 O ATOM 990 CB PHE A 60 10.404 6.078 2.876 1.00 63.13 C ATOM 991 CG PHE A 60 10.017 4.668 2.520 1.00 21.04 C ATOM 992 CD1 PHE A 60 9.054 4.411 1.554 1.00 1.54 C ATOM 993 CD2 PHE A 60 10.623 3.597 3.156 1.00 73.23 C ATOM 994 CE1 PHE A 60 8.707 3.113 1.233 1.00 61.24 C ATOM 995 CE2 PHE A 60 10.280 2.303 2.837 1.00 43.14 C ATOM 996 CZ PHE A 60 9.320 2.058 1.876 1.00 32.42 C ATOM 0 H PHE A 60 8.591 7.895 1.936 1.00 13.23 H new ATOM 0 HA PHE A 60 8.829 6.237 4.372 1.00 41.44 H new ATOM 0 HB2 PHE A 60 10.661 6.614 1.962 1.00 63.13 H new ATOM 0 HB3 PHE A 60 11.302 6.051 3.493 1.00 63.13 H new ATOM 0 HD1 PHE A 60 8.571 5.234 1.048 1.00 1.54 H new ATOM 0 HD2 PHE A 60 11.373 3.780 3.911 1.00 73.23 H new ATOM 0 HE1 PHE A 60 7.957 2.925 0.479 1.00 61.24 H new ATOM 0 HE2 PHE A 60 10.763 1.478 3.339 1.00 43.14 H new ATOM 0 HZ PHE A 60 9.049 1.042 1.628 1.00 32.42 H new ATOM 1006 N ARG A 61 10.852 7.720 5.291 1.00 11.13 N ATOM 1007 CA ARG A 61 11.705 8.713 5.955 1.00 34.20 C ATOM 1008 C ARG A 61 13.193 8.411 5.705 1.00 23.22 C ATOM 1009 O ARG A 61 14.033 9.305 5.773 1.00 14.40 O ATOM 1010 CB ARG A 61 11.435 8.737 7.470 1.00 35.04 C ATOM 1011 CG ARG A 61 9.996 9.078 7.846 1.00 71.31 C ATOM 1012 CD ARG A 61 9.611 10.497 7.437 1.00 52.24 C ATOM 1013 NE ARG A 61 8.216 10.797 7.759 1.00 71.33 N ATOM 1014 CZ ARG A 61 7.717 12.005 7.812 1.00 14.34 C ATOM 1015 NH1 ARG A 61 8.470 13.044 7.624 1.00 20.24 N ATOM 1016 NH2 ARG A 61 6.465 12.176 8.080 1.00 35.04 N ATOM 0 H ARG A 61 11.000 6.765 5.616 1.00 11.13 H new ATOM 0 HA ARG A 61 11.465 9.689 5.534 1.00 34.20 H new ATOM 0 HB2 ARG A 61 11.686 7.762 7.887 1.00 35.04 H new ATOM 0 HB3 ARG A 61 12.102 9.464 7.935 1.00 35.04 H new ATOM 0 HG2 ARG A 61 9.320 8.369 7.368 1.00 71.31 H new ATOM 0 HG3 ARG A 61 9.868 8.965 8.923 1.00 71.31 H new ATOM 0 HD2 ARG A 61 10.262 11.210 7.943 1.00 52.24 H new ATOM 0 HD3 ARG A 61 9.772 10.623 6.366 1.00 52.24 H new ATOM 0 HE ARG A 61 7.592 10.014 7.955 1.00 71.33 H new ATOM 0 HH11 ARG A 61 9.465 12.925 7.432 1.00 20.24 H new ATOM 0 HH12 ARG A 61 8.068 13.980 7.668 1.00 20.24 H new ATOM 0 HH21 ARG A 61 5.865 11.369 8.250 1.00 35.04 H new ATOM 0 HH22 ARG A 61 6.076 13.118 8.121 1.00 35.04 H new ATOM 1030 N ASN A 62 13.508 7.147 5.404 1.00 42.54 N ATOM 1031 CA ASN A 62 14.903 6.701 5.251 1.00 30.41 C ATOM 1032 C ASN A 62 15.065 5.743 4.048 1.00 33.42 C ATOM 1033 O ASN A 62 14.314 4.776 3.919 1.00 43.44 O ATOM 1034 CB ASN A 62 15.347 5.993 6.541 1.00 34.04 C ATOM 1035 CG ASN A 62 16.842 5.727 6.592 1.00 75.35 C ATOM 1036 OD1 ASN A 62 17.640 6.485 6.057 1.00 4.30 O ATOM 1037 ND2 ASN A 62 17.231 4.646 7.235 1.00 64.42 N ATOM 0 H ASN A 62 12.817 6.411 5.261 1.00 42.54 H new ATOM 0 HA ASN A 62 15.526 7.576 5.065 1.00 30.41 H new ATOM 0 HB2 ASN A 62 15.063 6.603 7.399 1.00 34.04 H new ATOM 0 HB3 ASN A 62 14.813 5.047 6.631 1.00 34.04 H new ATOM 0 HD21 ASN A 62 18.224 4.420 7.298 1.00 64.42 H new ATOM 0 HD22 ASN A 62 16.540 4.035 7.670 1.00 64.42 H new ATOM 1044 N PRO A 63 16.053 5.989 3.154 1.00 21.23 N ATOM 1045 CA PRO A 63 16.323 5.108 1.999 1.00 21.41 C ATOM 1046 C PRO A 63 16.703 3.672 2.409 1.00 64.22 C ATOM 1047 O PRO A 63 16.554 2.728 1.628 1.00 34.14 O ATOM 1048 CB PRO A 63 17.496 5.799 1.277 1.00 11.10 C ATOM 1049 CG PRO A 63 18.105 6.698 2.301 1.00 2.35 C ATOM 1050 CD PRO A 63 16.968 7.144 3.180 1.00 70.41 C ATOM 0 HA PRO A 63 15.436 4.987 1.377 1.00 21.41 H new ATOM 0 HB2 PRO A 63 18.219 5.070 0.912 1.00 11.10 H new ATOM 0 HB3 PRO A 63 17.149 6.364 0.412 1.00 11.10 H new ATOM 0 HG2 PRO A 63 18.865 6.173 2.880 1.00 2.35 H new ATOM 0 HG3 PRO A 63 18.595 7.551 1.831 1.00 2.35 H new ATOM 0 HD2 PRO A 63 17.305 7.369 4.192 1.00 70.41 H new ATOM 0 HD3 PRO A 63 16.491 8.045 2.795 1.00 70.41 H new ATOM 1058 N ASP A 64 17.203 3.508 3.633 1.00 61.31 N ATOM 1059 CA ASP A 64 17.531 2.179 4.163 1.00 33.04 C ATOM 1060 C ASP A 64 16.260 1.401 4.539 1.00 13.22 C ATOM 1061 O ASP A 64 16.183 0.186 4.352 1.00 32.04 O ATOM 1062 CB ASP A 64 18.463 2.307 5.370 1.00 4.02 C ATOM 1063 CG ASP A 64 19.764 2.994 5.002 1.00 1.41 C ATOM 1064 OD1 ASP A 64 20.547 2.409 4.224 1.00 51.14 O ATOM 1065 OD2 ASP A 64 20.002 4.129 5.461 1.00 75.30 O ATOM 0 H ASP A 64 17.391 4.276 4.278 1.00 61.31 H new ATOM 0 HA ASP A 64 18.044 1.618 3.382 1.00 33.04 H new ATOM 0 HB2 ASP A 64 17.963 2.871 6.158 1.00 4.02 H new ATOM 0 HB3 ASP A 64 18.675 1.317 5.773 1.00 4.02 H new ATOM 1070 N ASP A 65 15.264 2.121 5.054 1.00 3.15 N ATOM 1071 CA ASP A 65 13.957 1.537 5.365 1.00 65.02 C ATOM 1072 C ASP A 65 13.323 0.966 4.076 1.00 54.44 C ATOM 1073 O ASP A 65 12.610 -0.042 4.100 1.00 1.31 O ATOM 1074 CB ASP A 65 13.055 2.621 5.987 1.00 42.45 C ATOM 1075 CG ASP A 65 12.021 2.060 6.954 1.00 54.14 C ATOM 1076 OD1 ASP A 65 11.036 1.454 6.492 1.00 10.32 O ATOM 1077 OD2 ASP A 65 12.196 2.234 8.181 1.00 0.24 O ATOM 0 H ASP A 65 15.337 3.116 5.266 1.00 3.15 H new ATOM 0 HA ASP A 65 14.072 0.722 6.080 1.00 65.02 H new ATOM 0 HB2 ASP A 65 13.678 3.345 6.512 1.00 42.45 H new ATOM 0 HB3 ASP A 65 12.543 3.159 5.190 1.00 42.45 H new ATOM 1082 N ILE A 66 13.630 1.614 2.943 1.00 14.15 N ATOM 1083 CA ILE A 66 13.140 1.181 1.628 1.00 24.31 C ATOM 1084 C ILE A 66 13.594 -0.244 1.286 1.00 20.52 C ATOM 1085 O ILE A 66 12.776 -1.156 1.222 1.00 10.15 O ATOM 1086 CB ILE A 66 13.595 2.140 0.493 1.00 32.11 C ATOM 1087 CG1 ILE A 66 13.096 3.571 0.756 1.00 5.43 C ATOM 1088 CG2 ILE A 66 13.096 1.640 -0.865 1.00 22.45 C ATOM 1089 CD1 ILE A 66 13.498 4.571 -0.313 1.00 31.40 C ATOM 0 H ILE A 66 14.220 2.446 2.912 1.00 14.15 H new ATOM 0 HA ILE A 66 12.052 1.201 1.696 1.00 24.31 H new ATOM 0 HB ILE A 66 14.685 2.156 0.477 1.00 32.11 H new ATOM 0 HG12 ILE A 66 12.009 3.557 0.836 1.00 5.43 H new ATOM 0 HG13 ILE A 66 13.482 3.908 1.718 1.00 5.43 H new ATOM 0 HG21 ILE A 66 13.424 2.324 -1.648 1.00 22.45 H new ATOM 0 HG22 ILE A 66 13.501 0.647 -1.058 1.00 22.45 H new ATOM 0 HG23 ILE A 66 12.007 1.593 -0.858 1.00 22.45 H new ATOM 0 HD11 ILE A 66 13.108 5.556 -0.055 1.00 31.40 H new ATOM 0 HD12 ILE A 66 14.585 4.617 -0.378 1.00 31.40 H new ATOM 0 HD13 ILE A 66 13.090 4.260 -1.274 1.00 31.40 H new ATOM 1101 N LEU A 67 14.901 -0.441 1.077 1.00 75.30 N ATOM 1102 CA LEU A 67 15.428 -1.758 0.674 1.00 70.12 C ATOM 1103 C LEU A 67 15.077 -2.855 1.694 1.00 64.12 C ATOM 1104 O LEU A 67 15.085 -4.047 1.373 1.00 20.22 O ATOM 1105 CB LEU A 67 16.950 -1.689 0.422 1.00 42.21 C ATOM 1106 CG LEU A 67 17.823 -1.112 1.560 1.00 40.01 C ATOM 1107 CD1 LEU A 67 17.976 -2.095 2.720 1.00 32.22 C ATOM 1108 CD2 LEU A 67 19.191 -0.701 1.018 1.00 42.03 C ATOM 0 H LEU A 67 15.611 0.285 1.178 1.00 75.30 H new ATOM 0 HA LEU A 67 14.943 -2.030 -0.263 1.00 70.12 H new ATOM 0 HB2 LEU A 67 17.303 -2.696 0.201 1.00 42.21 H new ATOM 0 HB3 LEU A 67 17.119 -1.089 -0.472 1.00 42.21 H new ATOM 0 HG LEU A 67 17.315 -0.231 1.951 1.00 40.01 H new ATOM 0 HD11 LEU A 67 18.597 -1.648 3.496 1.00 32.22 H new ATOM 0 HD12 LEU A 67 16.994 -2.329 3.131 1.00 32.22 H new ATOM 0 HD13 LEU A 67 18.447 -3.010 2.362 1.00 32.22 H new ATOM 0 HD21 LEU A 67 19.797 -0.296 1.829 1.00 42.03 H new ATOM 0 HD22 LEU A 67 19.690 -1.571 0.592 1.00 42.03 H new ATOM 0 HD23 LEU A 67 19.064 0.058 0.246 1.00 42.03 H new ATOM 1120 N LEU A 68 14.769 -2.441 2.920 1.00 72.01 N ATOM 1121 CA LEU A 68 14.301 -3.355 3.960 1.00 33.41 C ATOM 1122 C LEU A 68 12.960 -4.006 3.565 1.00 11.04 C ATOM 1123 O LEU A 68 12.889 -5.214 3.328 1.00 33.43 O ATOM 1124 CB LEU A 68 14.163 -2.593 5.291 1.00 1.25 C ATOM 1125 CG LEU A 68 13.585 -3.397 6.465 1.00 5.54 C ATOM 1126 CD1 LEU A 68 14.448 -4.622 6.764 1.00 44.33 C ATOM 1127 CD2 LEU A 68 13.448 -2.513 7.703 1.00 55.33 C ATOM 0 H LEU A 68 14.836 -1.469 3.220 1.00 72.01 H new ATOM 0 HA LEU A 68 15.033 -4.154 4.078 1.00 33.41 H new ATOM 0 HB2 LEU A 68 15.147 -2.222 5.579 1.00 1.25 H new ATOM 0 HB3 LEU A 68 13.529 -1.722 5.125 1.00 1.25 H new ATOM 0 HG LEU A 68 12.592 -3.747 6.183 1.00 5.54 H new ATOM 0 HD11 LEU A 68 14.018 -5.175 7.599 1.00 44.33 H new ATOM 0 HD12 LEU A 68 14.485 -5.264 5.884 1.00 44.33 H new ATOM 0 HD13 LEU A 68 15.457 -4.302 7.022 1.00 44.33 H new ATOM 0 HD21 LEU A 68 13.037 -3.099 8.525 1.00 55.33 H new ATOM 0 HD22 LEU A 68 14.428 -2.129 7.986 1.00 55.33 H new ATOM 0 HD23 LEU A 68 12.781 -1.679 7.483 1.00 55.33 H new ATOM 1139 N PHE A 69 11.908 -3.196 3.464 1.00 25.32 N ATOM 1140 CA PHE A 69 10.564 -3.704 3.151 1.00 40.23 C ATOM 1141 C PHE A 69 10.355 -3.955 1.645 1.00 34.31 C ATOM 1142 O PHE A 69 9.560 -4.815 1.260 1.00 52.11 O ATOM 1143 CB PHE A 69 9.501 -2.740 3.695 1.00 74.10 C ATOM 1144 CG PHE A 69 9.200 -2.947 5.162 1.00 30.44 C ATOM 1145 CD1 PHE A 69 10.124 -2.596 6.132 1.00 43.11 C ATOM 1146 CD2 PHE A 69 7.992 -3.499 5.565 1.00 40.44 C ATOM 1147 CE1 PHE A 69 9.852 -2.795 7.472 1.00 13.20 C ATOM 1148 CE2 PHE A 69 7.715 -3.697 6.903 1.00 61.15 C ATOM 1149 CZ PHE A 69 8.646 -3.345 7.858 1.00 2.11 C ATOM 0 H PHE A 69 11.955 -2.185 3.593 1.00 25.32 H new ATOM 0 HA PHE A 69 10.462 -4.672 3.641 1.00 40.23 H new ATOM 0 HB2 PHE A 69 9.838 -1.715 3.542 1.00 74.10 H new ATOM 0 HB3 PHE A 69 8.582 -2.863 3.122 1.00 74.10 H new ATOM 0 HD1 PHE A 69 11.068 -2.162 5.838 1.00 43.11 H new ATOM 0 HD2 PHE A 69 7.259 -3.777 4.822 1.00 40.44 H new ATOM 0 HE1 PHE A 69 10.583 -2.520 8.218 1.00 13.20 H new ATOM 0 HE2 PHE A 69 6.770 -4.127 7.202 1.00 61.15 H new ATOM 0 HZ PHE A 69 8.432 -3.499 8.905 1.00 2.11 H new ATOM 1159 N ARG A 70 11.081 -3.231 0.799 1.00 53.30 N ATOM 1160 CA ARG A 70 10.941 -3.359 -0.660 1.00 43.20 C ATOM 1161 C ARG A 70 11.309 -4.777 -1.140 1.00 43.11 C ATOM 1162 O ARG A 70 10.721 -5.292 -2.091 1.00 63.33 O ATOM 1163 CB ARG A 70 11.816 -2.299 -1.362 1.00 64.11 C ATOM 1164 CG ARG A 70 11.576 -2.139 -2.872 1.00 30.54 C ATOM 1165 CD ARG A 70 12.324 -3.179 -3.706 1.00 3.04 C ATOM 1166 NE ARG A 70 12.048 -3.035 -5.136 1.00 23.10 N ATOM 1167 CZ ARG A 70 11.252 -3.823 -5.811 1.00 64.43 C ATOM 1168 NH1 ARG A 70 10.655 -4.813 -5.226 1.00 64.44 N ATOM 1169 NH2 ARG A 70 11.063 -3.624 -7.076 1.00 34.34 N ATOM 0 H ARG A 70 11.776 -2.545 1.093 1.00 53.30 H new ATOM 0 HA ARG A 70 9.896 -3.190 -0.921 1.00 43.20 H new ATOM 0 HB2 ARG A 70 11.646 -1.336 -0.881 1.00 64.11 H new ATOM 0 HB3 ARG A 70 12.864 -2.555 -1.203 1.00 64.11 H new ATOM 0 HG2 ARG A 70 10.508 -2.217 -3.075 1.00 30.54 H new ATOM 0 HG3 ARG A 70 11.887 -1.141 -3.181 1.00 30.54 H new ATOM 0 HD2 ARG A 70 13.396 -3.081 -3.532 1.00 3.04 H new ATOM 0 HD3 ARG A 70 12.038 -4.179 -3.380 1.00 3.04 H new ATOM 0 HE ARG A 70 12.505 -2.273 -5.637 1.00 23.10 H new ATOM 0 HH11 ARG A 70 10.804 -4.983 -4.231 1.00 64.44 H new ATOM 0 HH12 ARG A 70 10.036 -5.423 -5.760 1.00 64.44 H new ATOM 0 HH21 ARG A 70 11.535 -2.852 -7.547 1.00 34.34 H new ATOM 0 HH22 ARG A 70 10.442 -4.239 -7.602 1.00 34.34 H new ATOM 1183 N ASP A 71 12.278 -5.398 -0.477 1.00 43.44 N ATOM 1184 CA ASP A 71 12.737 -6.738 -0.859 1.00 12.14 C ATOM 1185 C ASP A 71 11.784 -7.842 -0.356 1.00 63.13 C ATOM 1186 O ASP A 71 11.484 -8.795 -1.080 1.00 12.32 O ATOM 1187 CB ASP A 71 14.150 -6.969 -0.312 1.00 71.21 C ATOM 1188 CG ASP A 71 14.743 -8.291 -0.769 1.00 22.23 C ATOM 1189 OD1 ASP A 71 14.533 -9.310 -0.084 1.00 4.01 O ATOM 1190 OD2 ASP A 71 15.416 -8.317 -1.822 1.00 13.24 O ATOM 0 H ASP A 71 12.763 -5.000 0.327 1.00 43.44 H new ATOM 0 HA ASP A 71 12.747 -6.792 -1.948 1.00 12.14 H new ATOM 0 HB2 ASP A 71 14.798 -6.154 -0.633 1.00 71.21 H new ATOM 0 HB3 ASP A 71 14.123 -6.944 0.777 1.00 71.21 H new ATOM 1195 N ARG A 72 11.312 -7.707 0.885 1.00 14.40 N ATOM 1196 CA ARG A 72 10.458 -8.733 1.515 1.00 53.33 C ATOM 1197 C ARG A 72 9.004 -8.696 1.007 1.00 51.31 C ATOM 1198 O ARG A 72 8.323 -9.719 0.989 1.00 62.23 O ATOM 1199 CB ARG A 72 10.489 -8.578 3.046 1.00 60.52 C ATOM 1200 CG ARG A 72 10.180 -7.163 3.523 1.00 31.25 C ATOM 1201 CD ARG A 72 10.255 -7.030 5.042 1.00 34.12 C ATOM 1202 NE ARG A 72 9.131 -7.675 5.717 1.00 1.30 N ATOM 1203 CZ ARG A 72 8.851 -7.519 6.984 1.00 22.15 C ATOM 1204 NH1 ARG A 72 9.643 -6.847 7.763 1.00 41.24 N ATOM 1205 NH2 ARG A 72 7.791 -8.070 7.478 1.00 62.42 N ATOM 0 H ARG A 72 11.503 -6.900 1.479 1.00 14.40 H new ATOM 0 HA ARG A 72 10.866 -9.703 1.233 1.00 53.33 H new ATOM 0 HB2 ARG A 72 9.768 -9.267 3.487 1.00 60.52 H new ATOM 0 HB3 ARG A 72 11.473 -8.869 3.412 1.00 60.52 H new ATOM 0 HG2 ARG A 72 10.883 -6.467 3.065 1.00 31.25 H new ATOM 0 HG3 ARG A 72 9.184 -6.878 3.185 1.00 31.25 H new ATOM 0 HD2 ARG A 72 11.188 -7.469 5.396 1.00 34.12 H new ATOM 0 HD3 ARG A 72 10.278 -5.974 5.310 1.00 34.12 H new ATOM 0 HE ARG A 72 8.528 -8.285 5.165 1.00 1.30 H new ATOM 0 HH11 ARG A 72 10.496 -6.433 7.388 1.00 41.24 H new ATOM 0 HH12 ARG A 72 9.412 -6.733 8.750 1.00 41.24 H new ATOM 0 HH21 ARG A 72 7.178 -8.623 6.880 1.00 62.42 H new ATOM 0 HH22 ARG A 72 7.568 -7.951 8.466 1.00 62.42 H new ATOM 1219 N PHE A 73 8.527 -7.518 0.610 1.00 71.54 N ATOM 1220 CA PHE A 73 7.150 -7.371 0.103 1.00 73.54 C ATOM 1221 C PHE A 73 7.077 -7.405 -1.434 1.00 53.44 C ATOM 1222 O PHE A 73 6.007 -7.231 -2.016 1.00 51.01 O ATOM 1223 CB PHE A 73 6.529 -6.070 0.621 1.00 32.22 C ATOM 1224 CG PHE A 73 5.955 -6.188 2.015 1.00 43.31 C ATOM 1225 CD1 PHE A 73 6.750 -6.004 3.136 1.00 15.14 C ATOM 1226 CD2 PHE A 73 4.613 -6.496 2.200 1.00 12.14 C ATOM 1227 CE1 PHE A 73 6.220 -6.123 4.408 1.00 4.21 C ATOM 1228 CE2 PHE A 73 4.080 -6.615 3.469 1.00 61.40 C ATOM 1229 CZ PHE A 73 4.883 -6.429 4.574 1.00 0.41 C ATOM 0 H PHE A 73 9.065 -6.651 0.626 1.00 71.54 H new ATOM 0 HA PHE A 73 6.585 -8.226 0.475 1.00 73.54 H new ATOM 0 HB2 PHE A 73 7.287 -5.287 0.614 1.00 32.22 H new ATOM 0 HB3 PHE A 73 5.740 -5.756 -0.063 1.00 32.22 H new ATOM 0 HD1 PHE A 73 7.796 -5.765 3.014 1.00 15.14 H new ATOM 0 HD2 PHE A 73 3.977 -6.645 1.340 1.00 12.14 H new ATOM 0 HE1 PHE A 73 6.852 -5.977 5.272 1.00 4.21 H new ATOM 0 HE2 PHE A 73 3.034 -6.854 3.595 1.00 61.40 H new ATOM 0 HZ PHE A 73 4.468 -6.522 5.567 1.00 0.41 H new ATOM 1239 N ASP A 74 8.214 -7.622 -2.080 1.00 63.01 N ATOM 1240 CA ASP A 74 8.271 -7.704 -3.546 1.00 63.25 C ATOM 1241 C ASP A 74 7.468 -8.908 -4.077 1.00 11.23 C ATOM 1242 O ASP A 74 7.980 -10.028 -4.158 1.00 12.41 O ATOM 1243 CB ASP A 74 9.734 -7.777 -4.014 1.00 64.01 C ATOM 1244 CG ASP A 74 9.870 -7.883 -5.528 1.00 25.24 C ATOM 1245 OD1 ASP A 74 9.371 -6.983 -6.241 1.00 22.34 O ATOM 1246 OD2 ASP A 74 10.492 -8.853 -6.009 1.00 52.23 O ATOM 0 H ASP A 74 9.115 -7.746 -1.618 1.00 63.01 H new ATOM 0 HA ASP A 74 7.814 -6.802 -3.953 1.00 63.25 H new ATOM 0 HB2 ASP A 74 10.265 -6.890 -3.668 1.00 64.01 H new ATOM 0 HB3 ASP A 74 10.216 -8.638 -3.550 1.00 64.01 H new ATOM 1251 N GLY A 75 6.191 -8.677 -4.386 1.00 14.54 N ATOM 1252 CA GLY A 75 5.353 -9.706 -4.994 1.00 65.11 C ATOM 1253 C GLY A 75 4.962 -10.826 -4.034 1.00 62.30 C ATOM 1254 O GLY A 75 5.276 -11.993 -4.274 1.00 64.02 O ATOM 0 H GLY A 75 5.717 -7.788 -4.225 1.00 14.54 H new ATOM 0 HA2 GLY A 75 4.447 -9.241 -5.384 1.00 65.11 H new ATOM 0 HA3 GLY A 75 5.882 -10.137 -5.844 1.00 65.11 H new ATOM 1258 N TYR A 76 4.264 -10.486 -2.953 1.00 1.54 N ATOM 1259 CA TYR A 76 3.820 -11.495 -1.980 1.00 24.33 C ATOM 1260 C TYR A 76 2.291 -11.671 -2.033 1.00 60.51 C ATOM 1261 O TYR A 76 1.559 -10.731 -2.344 1.00 54.15 O ATOM 1262 CB TYR A 76 4.288 -11.123 -0.557 1.00 22.45 C ATOM 1263 CG TYR A 76 3.243 -10.441 0.313 1.00 63.31 C ATOM 1264 CD1 TYR A 76 2.948 -9.089 0.166 1.00 53.03 C ATOM 1265 CD2 TYR A 76 2.558 -11.157 1.293 1.00 3.50 C ATOM 1266 CE1 TYR A 76 2.003 -8.476 0.970 1.00 74.33 C ATOM 1267 CE2 TYR A 76 1.614 -10.550 2.095 1.00 75.41 C ATOM 1268 CZ TYR A 76 1.339 -9.210 1.931 1.00 23.41 C ATOM 1269 OH TYR A 76 0.397 -8.603 2.732 1.00 24.04 O ATOM 0 H TYR A 76 3.993 -9.529 -2.725 1.00 1.54 H new ATOM 0 HA TYR A 76 4.275 -12.449 -2.245 1.00 24.33 H new ATOM 0 HB2 TYR A 76 4.621 -12.030 -0.053 1.00 22.45 H new ATOM 0 HB3 TYR A 76 5.155 -10.467 -0.637 1.00 22.45 H new ATOM 0 HD1 TYR A 76 3.464 -8.510 -0.586 1.00 53.03 H new ATOM 0 HD2 TYR A 76 2.770 -12.207 1.427 1.00 3.50 H new ATOM 0 HE1 TYR A 76 1.786 -7.425 0.845 1.00 74.33 H new ATOM 0 HE2 TYR A 76 1.093 -11.123 2.848 1.00 75.41 H new ATOM 0 HH TYR A 76 -0.192 -9.284 3.119 1.00 24.04 H new ATOM 1279 N ILE A 77 1.816 -12.877 -1.732 1.00 52.33 N ATOM 1280 CA ILE A 77 0.383 -13.190 -1.810 1.00 14.04 C ATOM 1281 C ILE A 77 -0.326 -13.034 -0.454 1.00 33.24 C ATOM 1282 O ILE A 77 -0.092 -13.808 0.478 1.00 2.22 O ATOM 1283 CB ILE A 77 0.155 -14.632 -2.332 1.00 70.23 C ATOM 1284 CG1 ILE A 77 0.767 -14.805 -3.733 1.00 71.21 C ATOM 1285 CG2 ILE A 77 -1.335 -14.979 -2.349 1.00 31.33 C ATOM 1286 CD1 ILE A 77 0.142 -13.922 -4.791 1.00 5.53 C ATOM 0 H ILE A 77 2.400 -13.658 -1.431 1.00 52.33 H new ATOM 0 HA ILE A 77 -0.046 -12.471 -2.508 1.00 14.04 H new ATOM 0 HB ILE A 77 0.655 -15.320 -1.650 1.00 70.23 H new ATOM 0 HG12 ILE A 77 1.835 -14.592 -3.681 1.00 71.21 H new ATOM 0 HG13 ILE A 77 0.665 -15.847 -4.037 1.00 71.21 H new ATOM 0 HG21 ILE A 77 -1.468 -15.996 -2.719 1.00 31.33 H new ATOM 0 HG22 ILE A 77 -1.737 -14.905 -1.339 1.00 31.33 H new ATOM 0 HG23 ILE A 77 -1.863 -14.284 -3.001 1.00 31.33 H new ATOM 0 HD11 ILE A 77 0.628 -14.103 -5.750 1.00 5.53 H new ATOM 0 HD12 ILE A 77 -0.921 -14.150 -4.874 1.00 5.53 H new ATOM 0 HD13 ILE A 77 0.268 -12.876 -4.512 1.00 5.53 H new ATOM 1298 N PHE A 78 -1.192 -12.028 -0.353 1.00 21.01 N ATOM 1299 CA PHE A 78 -2.056 -11.855 0.822 1.00 75.51 C ATOM 1300 C PHE A 78 -3.447 -12.443 0.537 1.00 33.33 C ATOM 1301 O PHE A 78 -4.029 -12.179 -0.513 1.00 60.43 O ATOM 1302 CB PHE A 78 -2.167 -10.366 1.184 1.00 4.23 C ATOM 1303 CG PHE A 78 -3.000 -10.091 2.413 1.00 24.42 C ATOM 1304 CD1 PHE A 78 -2.507 -10.369 3.680 1.00 21.53 C ATOM 1305 CD2 PHE A 78 -4.273 -9.548 2.302 1.00 11.23 C ATOM 1306 CE1 PHE A 78 -3.265 -10.114 4.807 1.00 14.13 C ATOM 1307 CE2 PHE A 78 -5.035 -9.291 3.426 1.00 43.22 C ATOM 1308 CZ PHE A 78 -4.530 -9.573 4.682 1.00 25.21 C ATOM 0 H PHE A 78 -1.317 -11.315 -1.072 1.00 21.01 H new ATOM 0 HA PHE A 78 -1.617 -12.384 1.668 1.00 75.51 H new ATOM 0 HB2 PHE A 78 -1.165 -9.965 1.340 1.00 4.23 H new ATOM 0 HB3 PHE A 78 -2.597 -9.829 0.339 1.00 4.23 H new ATOM 0 HD1 PHE A 78 -1.518 -10.790 3.787 1.00 21.53 H new ATOM 0 HD2 PHE A 78 -4.673 -9.323 1.324 1.00 11.23 H new ATOM 0 HE1 PHE A 78 -2.868 -10.338 5.786 1.00 14.13 H new ATOM 0 HE2 PHE A 78 -6.024 -8.870 3.323 1.00 43.22 H new ATOM 0 HZ PHE A 78 -5.122 -9.371 5.562 1.00 25.21 H new ATOM 1318 N LEU A 79 -3.979 -13.239 1.464 1.00 43.40 N ATOM 1319 CA LEU A 79 -5.244 -13.953 1.228 1.00 43.41 C ATOM 1320 C LEU A 79 -6.417 -13.395 2.049 1.00 53.12 C ATOM 1321 O LEU A 79 -6.327 -13.226 3.268 1.00 23.00 O ATOM 1322 CB LEU A 79 -5.060 -15.445 1.524 1.00 74.52 C ATOM 1323 CG LEU A 79 -4.171 -16.199 0.520 1.00 72.44 C ATOM 1324 CD1 LEU A 79 -3.893 -17.618 1.003 1.00 55.41 C ATOM 1325 CD2 LEU A 79 -4.822 -16.218 -0.862 1.00 63.34 C ATOM 0 H LEU A 79 -3.562 -13.408 2.379 1.00 43.40 H new ATOM 0 HA LEU A 79 -5.500 -13.805 0.179 1.00 43.41 H new ATOM 0 HB2 LEU A 79 -4.630 -15.553 2.520 1.00 74.52 H new ATOM 0 HB3 LEU A 79 -6.041 -15.920 1.547 1.00 74.52 H new ATOM 0 HG LEU A 79 -3.219 -15.674 0.445 1.00 72.44 H new ATOM 0 HD11 LEU A 79 -3.263 -18.132 0.278 1.00 55.41 H new ATOM 0 HD12 LEU A 79 -3.383 -17.581 1.966 1.00 55.41 H new ATOM 0 HD13 LEU A 79 -4.835 -18.156 1.112 1.00 55.41 H new ATOM 0 HD21 LEU A 79 -4.179 -16.755 -1.560 1.00 63.34 H new ATOM 0 HD22 LEU A 79 -5.789 -16.717 -0.802 1.00 63.34 H new ATOM 0 HD23 LEU A 79 -4.962 -15.195 -1.212 1.00 63.34 H new ATOM 1337 N ASP A 80 -7.516 -13.113 1.353 1.00 74.31 N ATOM 1338 CA ASP A 80 -8.776 -12.695 1.981 1.00 4.44 C ATOM 1339 C ASP A 80 -9.609 -13.913 2.455 1.00 64.44 C ATOM 1340 O ASP A 80 -9.246 -15.066 2.209 1.00 31.30 O ATOM 1341 CB ASP A 80 -9.573 -11.845 0.971 1.00 30.13 C ATOM 1342 CG ASP A 80 -11.008 -11.591 1.405 1.00 41.32 C ATOM 1343 OD1 ASP A 80 -11.209 -10.881 2.412 1.00 10.42 O ATOM 1344 OD2 ASP A 80 -11.931 -12.151 0.774 1.00 31.13 O ATOM 0 H ASP A 80 -7.562 -13.167 0.335 1.00 74.31 H new ATOM 0 HA ASP A 80 -8.552 -12.102 2.868 1.00 4.44 H new ATOM 0 HB2 ASP A 80 -9.068 -10.889 0.831 1.00 30.13 H new ATOM 0 HB3 ASP A 80 -9.576 -12.348 0.004 1.00 30.13 H new ATOM 1349 N SER A 81 -10.722 -13.639 3.142 1.00 74.35 N ATOM 1350 CA SER A 81 -11.675 -14.673 3.587 1.00 44.43 C ATOM 1351 C SER A 81 -12.071 -15.621 2.438 1.00 23.44 C ATOM 1352 O SER A 81 -12.127 -16.839 2.613 1.00 34.32 O ATOM 1353 CB SER A 81 -12.944 -14.003 4.139 1.00 73.32 C ATOM 1354 OG SER A 81 -12.627 -12.974 5.068 1.00 71.20 O ATOM 0 H SER A 81 -10.993 -12.692 3.408 1.00 74.35 H new ATOM 0 HA SER A 81 -11.184 -15.261 4.362 1.00 44.43 H new ATOM 0 HB2 SER A 81 -13.524 -13.586 3.316 1.00 73.32 H new ATOM 0 HB3 SER A 81 -13.571 -14.752 4.623 1.00 73.32 H new ATOM 0 HG SER A 81 -13.454 -12.566 5.400 1.00 71.20 H new ATOM 1360 N LYS A 82 -12.350 -15.048 1.267 1.00 21.05 N ATOM 1361 CA LYS A 82 -12.715 -15.828 0.073 1.00 30.21 C ATOM 1362 C LYS A 82 -11.515 -16.590 -0.517 1.00 74.34 C ATOM 1363 O LYS A 82 -11.678 -17.474 -1.361 1.00 72.22 O ATOM 1364 CB LYS A 82 -13.306 -14.894 -0.996 1.00 12.53 C ATOM 1365 CG LYS A 82 -14.772 -14.529 -0.775 1.00 71.22 C ATOM 1366 CD LYS A 82 -15.691 -15.699 -1.122 1.00 55.30 C ATOM 1367 CE LYS A 82 -17.164 -15.327 -1.001 1.00 21.03 C ATOM 1368 NZ LYS A 82 -17.560 -15.066 0.408 1.00 0.24 N ATOM 0 H LYS A 82 -12.331 -14.040 1.115 1.00 21.05 H new ATOM 0 HA LYS A 82 -13.455 -16.567 0.381 1.00 30.21 H new ATOM 0 HB2 LYS A 82 -12.717 -13.978 -1.026 1.00 12.53 H new ATOM 0 HB3 LYS A 82 -13.206 -15.369 -1.972 1.00 12.53 H new ATOM 0 HG2 LYS A 82 -14.925 -14.239 0.265 1.00 71.22 H new ATOM 0 HG3 LYS A 82 -15.031 -13.666 -1.388 1.00 71.22 H new ATOM 0 HD2 LYS A 82 -15.484 -16.032 -2.139 1.00 55.30 H new ATOM 0 HD3 LYS A 82 -15.474 -16.538 -0.461 1.00 55.30 H new ATOM 0 HE2 LYS A 82 -17.365 -14.441 -1.604 1.00 21.03 H new ATOM 0 HE3 LYS A 82 -17.776 -16.133 -1.406 1.00 21.03 H new ATOM 0 HZ1 LYS A 82 -18.583 -14.883 0.453 1.00 0.24 H new ATOM 0 HZ2 LYS A 82 -17.330 -15.895 0.992 1.00 0.24 H new ATOM 0 HZ3 LYS A 82 -17.044 -14.237 0.766 1.00 0.24 H new ATOM 1382 N GLY A 83 -10.314 -16.258 -0.058 1.00 42.34 N ATOM 1383 CA GLY A 83 -9.100 -16.802 -0.655 1.00 30.44 C ATOM 1384 C GLY A 83 -8.600 -15.947 -1.815 1.00 25.25 C ATOM 1385 O GLY A 83 -7.926 -16.442 -2.725 1.00 62.12 O ATOM 0 H GLY A 83 -10.155 -15.619 0.721 1.00 42.34 H new ATOM 0 HA2 GLY A 83 -8.322 -16.872 0.105 1.00 30.44 H new ATOM 0 HA3 GLY A 83 -9.292 -17.815 -1.008 1.00 30.44 H new ATOM 1389 N LEU A 84 -8.936 -14.658 -1.783 1.00 2.50 N ATOM 1390 CA LEU A 84 -8.523 -13.716 -2.827 1.00 23.15 C ATOM 1391 C LEU A 84 -7.017 -13.425 -2.758 1.00 73.14 C ATOM 1392 O LEU A 84 -6.551 -12.742 -1.848 1.00 61.33 O ATOM 1393 CB LEU A 84 -9.311 -12.403 -2.707 1.00 34.50 C ATOM 1394 CG LEU A 84 -10.842 -12.543 -2.783 1.00 25.43 C ATOM 1395 CD1 LEU A 84 -11.519 -11.180 -2.654 1.00 14.24 C ATOM 1396 CD2 LEU A 84 -11.260 -13.235 -4.081 1.00 33.21 C ATOM 0 H LEU A 84 -9.497 -14.239 -1.041 1.00 2.50 H new ATOM 0 HA LEU A 84 -8.737 -14.179 -3.790 1.00 23.15 H new ATOM 0 HB2 LEU A 84 -9.053 -11.929 -1.760 1.00 34.50 H new ATOM 0 HB3 LEU A 84 -8.985 -11.729 -3.499 1.00 34.50 H new ATOM 0 HG LEU A 84 -11.167 -13.163 -1.948 1.00 25.43 H new ATOM 0 HD11 LEU A 84 -12.600 -11.304 -2.711 1.00 14.24 H new ATOM 0 HD12 LEU A 84 -11.255 -10.732 -1.696 1.00 14.24 H new ATOM 0 HD13 LEU A 84 -11.186 -10.530 -3.463 1.00 14.24 H new ATOM 0 HD21 LEU A 84 -12.346 -13.323 -4.113 1.00 33.21 H new ATOM 0 HD22 LEU A 84 -10.918 -12.647 -4.933 1.00 33.21 H new ATOM 0 HD23 LEU A 84 -10.814 -14.229 -4.124 1.00 33.21 H new ATOM 1408 N GLU A 85 -6.266 -13.969 -3.709 1.00 54.23 N ATOM 1409 CA GLU A 85 -4.825 -13.730 -3.800 1.00 42.42 C ATOM 1410 C GLU A 85 -4.515 -12.274 -4.184 1.00 74.14 C ATOM 1411 O GLU A 85 -4.788 -11.846 -5.310 1.00 55.52 O ATOM 1412 CB GLU A 85 -4.194 -14.674 -4.834 1.00 31.00 C ATOM 1413 CG GLU A 85 -4.398 -16.155 -4.534 1.00 34.24 C ATOM 1414 CD GLU A 85 -3.754 -17.050 -5.579 1.00 42.14 C ATOM 1415 OE1 GLU A 85 -4.421 -17.378 -6.583 1.00 63.23 O ATOM 1416 OE2 GLU A 85 -2.577 -17.428 -5.405 1.00 3.23 O ATOM 0 H GLU A 85 -6.633 -14.584 -4.435 1.00 54.23 H new ATOM 0 HA GLU A 85 -4.399 -13.923 -2.815 1.00 42.42 H new ATOM 0 HB2 GLU A 85 -4.613 -14.452 -5.815 1.00 31.00 H new ATOM 0 HB3 GLU A 85 -3.125 -14.470 -4.891 1.00 31.00 H new ATOM 0 HG2 GLU A 85 -3.980 -16.386 -3.554 1.00 34.24 H new ATOM 0 HG3 GLU A 85 -5.466 -16.369 -4.484 1.00 34.24 H new ATOM 1423 N TYR A 86 -3.969 -11.515 -3.237 1.00 34.32 N ATOM 1424 CA TYR A 86 -3.464 -10.167 -3.508 1.00 24.34 C ATOM 1425 C TYR A 86 -1.939 -10.204 -3.713 1.00 74.33 C ATOM 1426 O TYR A 86 -1.177 -10.244 -2.742 1.00 54.53 O ATOM 1427 CB TYR A 86 -3.822 -9.216 -2.355 1.00 11.41 C ATOM 1428 CG TYR A 86 -5.317 -9.054 -2.129 1.00 41.01 C ATOM 1429 CD1 TYR A 86 -6.098 -8.330 -3.025 1.00 12.04 C ATOM 1430 CD2 TYR A 86 -5.943 -9.614 -1.021 1.00 51.13 C ATOM 1431 CE1 TYR A 86 -7.455 -8.170 -2.823 1.00 23.30 C ATOM 1432 CE2 TYR A 86 -7.300 -9.461 -0.814 1.00 71.42 C ATOM 1433 CZ TYR A 86 -8.051 -8.737 -1.718 1.00 72.42 C ATOM 1434 OH TYR A 86 -9.402 -8.573 -1.512 1.00 44.13 O ATOM 0 H TYR A 86 -3.864 -11.812 -2.267 1.00 34.32 H new ATOM 0 HA TYR A 86 -3.933 -9.797 -4.420 1.00 24.34 H new ATOM 0 HB2 TYR A 86 -3.364 -9.585 -1.437 1.00 11.41 H new ATOM 0 HB3 TYR A 86 -3.387 -8.237 -2.557 1.00 11.41 H new ATOM 0 HD1 TYR A 86 -5.635 -7.885 -3.894 1.00 12.04 H new ATOM 0 HD2 TYR A 86 -5.358 -10.178 -0.310 1.00 51.13 H new ATOM 0 HE1 TYR A 86 -8.046 -7.603 -3.528 1.00 23.30 H new ATOM 0 HE2 TYR A 86 -7.771 -9.905 0.050 1.00 71.42 H new ATOM 0 HH TYR A 86 -9.666 -9.036 -0.689 1.00 44.13 H new ATOM 1444 N PRO A 87 -1.474 -10.217 -4.982 1.00 52.31 N ATOM 1445 CA PRO A 87 -0.043 -10.323 -5.309 1.00 11.01 C ATOM 1446 C PRO A 87 0.679 -8.963 -5.259 1.00 21.22 C ATOM 1447 O PRO A 87 1.226 -8.494 -6.260 1.00 13.32 O ATOM 1448 CB PRO A 87 -0.081 -10.881 -6.736 1.00 11.04 C ATOM 1449 CG PRO A 87 -1.318 -10.298 -7.336 1.00 33.11 C ATOM 1450 CD PRO A 87 -2.307 -10.126 -6.202 1.00 32.54 C ATOM 0 HA PRO A 87 0.510 -10.941 -4.601 1.00 11.01 H new ATOM 0 HB2 PRO A 87 0.807 -10.592 -7.298 1.00 11.04 H new ATOM 0 HB3 PRO A 87 -0.117 -11.970 -6.735 1.00 11.04 H new ATOM 0 HG2 PRO A 87 -1.104 -9.341 -7.812 1.00 33.11 H new ATOM 0 HG3 PRO A 87 -1.722 -10.955 -8.107 1.00 33.11 H new ATOM 0 HD2 PRO A 87 -2.821 -9.167 -6.263 1.00 32.54 H new ATOM 0 HD3 PRO A 87 -3.074 -10.901 -6.220 1.00 32.54 H new ATOM 1458 N ALA A 88 0.710 -8.364 -4.073 1.00 22.21 N ATOM 1459 CA ALA A 88 1.221 -7.000 -3.887 1.00 21.23 C ATOM 1460 C ALA A 88 2.698 -6.856 -4.287 1.00 12.12 C ATOM 1461 O ALA A 88 3.576 -7.497 -3.711 1.00 71.43 O ATOM 1462 CB ALA A 88 1.018 -6.575 -2.437 1.00 51.13 C ATOM 0 H ALA A 88 0.384 -8.804 -3.213 1.00 22.21 H new ATOM 0 HA ALA A 88 0.656 -6.345 -4.551 1.00 21.23 H new ATOM 0 HB1 ALA A 88 1.397 -5.563 -2.298 1.00 51.13 H new ATOM 0 HB2 ALA A 88 -0.045 -6.601 -2.196 1.00 51.13 H new ATOM 0 HB3 ALA A 88 1.556 -7.257 -1.779 1.00 51.13 H new ATOM 1468 N VAL A 89 2.962 -6.013 -5.290 1.00 1.23 N ATOM 1469 CA VAL A 89 4.339 -5.709 -5.711 1.00 52.04 C ATOM 1470 C VAL A 89 4.753 -4.286 -5.314 1.00 61.54 C ATOM 1471 O VAL A 89 4.144 -3.307 -5.742 1.00 22.52 O ATOM 1472 CB VAL A 89 4.527 -5.857 -7.240 1.00 24.52 C ATOM 1473 CG1 VAL A 89 5.943 -5.451 -7.653 1.00 35.34 C ATOM 1474 CG2 VAL A 89 4.223 -7.282 -7.687 1.00 42.32 C ATOM 0 H VAL A 89 2.243 -5.528 -5.827 1.00 1.23 H new ATOM 0 HA VAL A 89 4.970 -6.434 -5.197 1.00 52.04 H new ATOM 0 HB VAL A 89 3.823 -5.188 -7.735 1.00 24.52 H new ATOM 0 HG11 VAL A 89 6.054 -5.563 -8.732 1.00 35.34 H new ATOM 0 HG12 VAL A 89 6.119 -4.412 -7.376 1.00 35.34 H new ATOM 0 HG13 VAL A 89 6.667 -6.089 -7.146 1.00 35.34 H new ATOM 0 HG21 VAL A 89 4.362 -7.363 -8.765 1.00 42.32 H new ATOM 0 HG22 VAL A 89 4.897 -7.973 -7.182 1.00 42.32 H new ATOM 0 HG23 VAL A 89 3.192 -7.531 -7.434 1.00 42.32 H new ATOM 1484 N VAL A 90 5.796 -4.183 -4.505 1.00 21.23 N ATOM 1485 CA VAL A 90 6.334 -2.886 -4.088 1.00 1.44 C ATOM 1486 C VAL A 90 7.480 -2.430 -5.013 1.00 12.33 C ATOM 1487 O VAL A 90 8.418 -3.182 -5.266 1.00 31.33 O ATOM 1488 CB VAL A 90 6.830 -2.956 -2.619 1.00 15.11 C ATOM 1489 CG1 VAL A 90 7.842 -4.081 -2.436 1.00 21.13 C ATOM 1490 CG2 VAL A 90 7.420 -1.622 -2.174 1.00 24.11 C ATOM 0 H VAL A 90 6.294 -4.985 -4.119 1.00 21.23 H new ATOM 0 HA VAL A 90 5.531 -2.153 -4.159 1.00 1.44 H new ATOM 0 HB VAL A 90 5.967 -3.170 -1.988 1.00 15.11 H new ATOM 0 HG11 VAL A 90 8.173 -4.107 -1.398 1.00 21.13 H new ATOM 0 HG12 VAL A 90 7.378 -5.033 -2.693 1.00 21.13 H new ATOM 0 HG13 VAL A 90 8.700 -3.908 -3.086 1.00 21.13 H new ATOM 0 HG21 VAL A 90 7.759 -1.701 -1.141 1.00 24.11 H new ATOM 0 HG22 VAL A 90 8.264 -1.366 -2.815 1.00 24.11 H new ATOM 0 HG23 VAL A 90 6.659 -0.845 -2.248 1.00 24.11 H new ATOM 1500 N GLU A 91 7.395 -1.203 -5.533 1.00 74.05 N ATOM 1501 CA GLU A 91 8.457 -0.660 -6.399 1.00 14.23 C ATOM 1502 C GLU A 91 8.674 0.843 -6.157 1.00 2.11 C ATOM 1503 O GLU A 91 7.905 1.490 -5.448 1.00 63.04 O ATOM 1504 CB GLU A 91 8.136 -0.890 -7.884 1.00 32.22 C ATOM 1505 CG GLU A 91 6.891 -0.147 -8.376 1.00 13.13 C ATOM 1506 CD GLU A 91 6.882 0.098 -9.881 1.00 42.41 C ATOM 1507 OE1 GLU A 91 7.541 -0.657 -10.628 1.00 55.22 O ATOM 1508 OE2 GLU A 91 6.212 1.056 -10.325 1.00 12.01 O ATOM 0 H GLU A 91 6.612 -0.568 -5.375 1.00 74.05 H new ATOM 0 HA GLU A 91 9.372 -1.193 -6.142 1.00 14.23 H new ATOM 0 HB2 GLU A 91 8.992 -0.579 -8.482 1.00 32.22 H new ATOM 0 HB3 GLU A 91 8.000 -1.958 -8.054 1.00 32.22 H new ATOM 0 HG2 GLU A 91 6.005 -0.720 -8.104 1.00 13.13 H new ATOM 0 HG3 GLU A 91 6.822 0.811 -7.860 1.00 13.13 H new ATOM 1515 N PHE A 92 9.718 1.391 -6.773 1.00 53.10 N ATOM 1516 CA PHE A 92 10.040 2.817 -6.641 1.00 32.15 C ATOM 1517 C PHE A 92 9.117 3.674 -7.520 1.00 31.12 C ATOM 1518 O PHE A 92 8.969 3.421 -8.717 1.00 43.40 O ATOM 1519 CB PHE A 92 11.503 3.065 -7.025 1.00 0.03 C ATOM 1520 CG PHE A 92 12.487 2.276 -6.200 1.00 54.02 C ATOM 1521 CD1 PHE A 92 13.004 2.799 -5.022 1.00 34.30 C ATOM 1522 CD2 PHE A 92 12.895 1.010 -6.599 1.00 42.44 C ATOM 1523 CE1 PHE A 92 13.903 2.076 -4.263 1.00 53.51 C ATOM 1524 CE2 PHE A 92 13.795 0.284 -5.843 1.00 5.54 C ATOM 1525 CZ PHE A 92 14.299 0.818 -4.674 1.00 4.43 C ATOM 0 H PHE A 92 10.360 0.871 -7.371 1.00 53.10 H new ATOM 0 HA PHE A 92 9.887 3.104 -5.601 1.00 32.15 H new ATOM 0 HB2 PHE A 92 11.641 2.815 -8.077 1.00 0.03 H new ATOM 0 HB3 PHE A 92 11.722 4.127 -6.919 1.00 0.03 H new ATOM 0 HD1 PHE A 92 12.699 3.782 -4.696 1.00 34.30 H new ATOM 0 HD2 PHE A 92 12.504 0.587 -7.512 1.00 42.44 H new ATOM 0 HE1 PHE A 92 14.296 2.494 -3.348 1.00 53.51 H new ATOM 0 HE2 PHE A 92 14.104 -0.699 -6.166 1.00 5.54 H new ATOM 0 HZ PHE A 92 15.003 0.253 -4.081 1.00 4.43 H new ATOM 1535 N ALA A 93 8.513 4.694 -6.918 1.00 14.42 N ATOM 1536 CA ALA A 93 7.578 5.573 -7.625 1.00 35.12 C ATOM 1537 C ALA A 93 8.305 6.537 -8.576 1.00 72.30 C ATOM 1538 O ALA A 93 9.408 6.994 -8.272 1.00 75.34 O ATOM 1539 CB ALA A 93 6.746 6.360 -6.615 1.00 33.23 C ATOM 0 H ALA A 93 8.653 4.936 -5.937 1.00 14.42 H new ATOM 0 HA ALA A 93 6.924 4.946 -8.231 1.00 35.12 H new ATOM 0 HB1 ALA A 93 6.052 7.012 -7.145 1.00 33.23 H new ATOM 0 HB2 ALA A 93 6.185 5.667 -5.987 1.00 33.23 H new ATOM 0 HB3 ALA A 93 7.406 6.963 -5.991 1.00 33.23 H new