USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=9 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= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 11 MET CE :methyl 163:sc= 0 (180deg=-0.471) USER MOD Single : A 22 THR OG1 : rot -28:sc= 0.42 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= -1.75 K(o=-1.7,f=-2.8!) USER MOD Single : A 36 HIS : no HD1:sc= -3.65 X(o=-3.7,f=-3.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.718 USER MOD Single : A 59 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.1) USER MOD Single : A 62 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.59) USER MOD Single : A 76 TYR OH : rot -104:sc= 0.908 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 90:sc= -1.42 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.826 8.362 -1.468 1.00 25.42 N ATOM 147 CA HIS A 10 12.875 8.495 -2.585 1.00 52.40 C ATOM 148 C HIS A 10 11.483 7.952 -2.209 1.00 44.41 C ATOM 149 O HIS A 10 11.322 7.245 -1.212 1.00 32.25 O ATOM 150 CB HIS A 10 13.407 7.765 -3.828 1.00 53.13 C ATOM 151 CG HIS A 10 14.583 8.439 -4.471 1.00 53.01 C ATOM 152 ND1 HIS A 10 14.716 8.579 -5.837 1.00 1.12 N ATOM 153 CD2 HIS A 10 15.690 9.006 -3.934 1.00 3.20 C ATOM 154 CE1 HIS A 10 15.846 9.198 -6.110 1.00 21.32 C ATOM 155 NE2 HIS A 10 16.457 9.471 -4.973 1.00 33.45 N ATOM 0 HA HIS A 10 12.773 9.557 -2.809 1.00 52.40 H new ATOM 0 HB2 HIS A 10 13.690 6.750 -3.548 1.00 53.13 H new ATOM 0 HB3 HIS A 10 12.604 7.681 -4.560 1.00 53.13 H new ATOM 0 HD2 HIS A 10 15.926 9.079 -2.883 1.00 3.20 H new ATOM 0 HE1 HIS A 10 16.211 9.441 -7.097 1.00 21.32 H new ATOM 0 HE2 HIS A 10 17.353 9.950 -4.881 1.00 33.45 H new ATOM 164 N MET A 11 10.485 8.288 -3.022 1.00 63.31 N ATOM 165 CA MET A 11 9.103 7.854 -2.781 1.00 21.35 C ATOM 166 C MET A 11 8.779 6.542 -3.525 1.00 62.31 C ATOM 167 O MET A 11 8.679 6.507 -4.754 1.00 75.12 O ATOM 168 CB MET A 11 8.112 8.965 -3.172 1.00 52.31 C ATOM 169 CG MET A 11 8.274 9.492 -4.596 1.00 5.44 C ATOM 170 SD MET A 11 9.876 10.279 -4.879 1.00 72.04 S ATOM 171 CE MET A 11 9.719 10.788 -6.589 1.00 10.12 C ATOM 0 H MET A 11 10.604 8.861 -3.857 1.00 63.31 H new ATOM 0 HA MET A 11 9.000 7.656 -1.714 1.00 21.35 H new ATOM 0 HB2 MET A 11 7.097 8.586 -3.053 1.00 52.31 H new ATOM 0 HB3 MET A 11 8.226 9.796 -2.476 1.00 52.31 H new ATOM 0 HG2 MET A 11 8.151 8.668 -5.299 1.00 5.44 H new ATOM 0 HG3 MET A 11 7.481 10.210 -4.804 1.00 5.44 H new ATOM 0 HE1 MET A 11 10.479 11.536 -6.817 1.00 10.12 H new ATOM 0 HE2 MET A 11 9.853 9.924 -7.240 1.00 10.12 H new ATOM 0 HE3 MET A 11 8.729 11.215 -6.752 1.00 10.12 H new ATOM 181 N VAL A 12 8.622 5.463 -2.760 1.00 32.53 N ATOM 182 CA VAL A 12 8.332 4.135 -3.315 1.00 21.20 C ATOM 183 C VAL A 12 6.890 3.706 -2.986 1.00 21.14 C ATOM 184 O VAL A 12 6.439 3.848 -1.853 1.00 0.03 O ATOM 185 CB VAL A 12 9.332 3.084 -2.766 1.00 10.32 C ATOM 186 CG1 VAL A 12 9.061 1.702 -3.354 1.00 63.53 C ATOM 187 CG2 VAL A 12 10.772 3.516 -3.047 1.00 53.41 C ATOM 0 H VAL A 12 8.691 5.480 -1.742 1.00 32.53 H new ATOM 0 HA VAL A 12 8.440 4.194 -4.398 1.00 21.20 H new ATOM 0 HB VAL A 12 9.193 3.020 -1.687 1.00 10.32 H new ATOM 0 HG11 VAL A 12 9.778 0.988 -2.950 1.00 63.53 H new ATOM 0 HG12 VAL A 12 8.050 1.388 -3.094 1.00 63.53 H new ATOM 0 HG13 VAL A 12 9.161 1.742 -4.439 1.00 63.53 H new ATOM 0 HG21 VAL A 12 11.460 2.767 -2.655 1.00 53.41 H new ATOM 0 HG22 VAL A 12 10.919 3.616 -4.122 1.00 53.41 H new ATOM 0 HG23 VAL A 12 10.965 4.474 -2.564 1.00 53.41 H new ATOM 197 N VAL A 13 6.175 3.179 -3.981 1.00 22.41 N ATOM 198 CA VAL A 13 4.749 2.849 -3.831 1.00 33.24 C ATOM 199 C VAL A 13 4.460 1.351 -4.058 1.00 52.51 C ATOM 200 O VAL A 13 5.337 0.578 -4.453 1.00 2.51 O ATOM 201 CB VAL A 13 3.884 3.692 -4.806 1.00 71.34 C ATOM 202 CG1 VAL A 13 4.101 5.187 -4.569 1.00 35.24 C ATOM 203 CG2 VAL A 13 4.182 3.326 -6.260 1.00 64.22 C ATOM 0 H VAL A 13 6.557 2.970 -4.903 1.00 22.41 H new ATOM 0 HA VAL A 13 4.485 3.088 -2.801 1.00 33.24 H new ATOM 0 HB VAL A 13 2.837 3.463 -4.609 1.00 71.34 H new ATOM 0 HG11 VAL A 13 3.485 5.759 -5.263 1.00 35.24 H new ATOM 0 HG12 VAL A 13 3.822 5.437 -3.545 1.00 35.24 H new ATOM 0 HG13 VAL A 13 5.151 5.432 -4.729 1.00 35.24 H new ATOM 0 HG21 VAL A 13 3.563 3.931 -6.922 1.00 64.22 H new ATOM 0 HG22 VAL A 13 5.234 3.515 -6.474 1.00 64.22 H new ATOM 0 HG23 VAL A 13 3.962 2.271 -6.422 1.00 64.22 H new ATOM 213 N ILE A 14 3.212 0.952 -3.811 1.00 31.40 N ATOM 214 CA ILE A 14 2.784 -0.444 -3.967 1.00 44.41 C ATOM 215 C ILE A 14 1.856 -0.591 -5.192 1.00 14.15 C ATOM 216 O ILE A 14 1.077 0.315 -5.498 1.00 31.42 O ATOM 217 CB ILE A 14 2.059 -0.930 -2.680 1.00 22.24 C ATOM 218 CG1 ILE A 14 1.906 -2.460 -2.678 1.00 45.34 C ATOM 219 CG2 ILE A 14 0.700 -0.246 -2.517 1.00 24.44 C ATOM 220 CD1 ILE A 14 3.200 -3.205 -2.409 1.00 35.04 C ATOM 0 H ILE A 14 2.472 1.580 -3.499 1.00 31.40 H new ATOM 0 HA ILE A 14 3.667 -1.062 -4.127 1.00 44.41 H new ATOM 0 HB ILE A 14 2.677 -0.651 -1.827 1.00 22.24 H new ATOM 0 HG12 ILE A 14 1.172 -2.741 -1.923 1.00 45.34 H new ATOM 0 HG13 ILE A 14 1.509 -2.777 -3.642 1.00 45.34 H new ATOM 0 HG21 ILE A 14 0.218 -0.607 -1.608 1.00 24.44 H new ATOM 0 HG22 ILE A 14 0.841 0.833 -2.449 1.00 24.44 H new ATOM 0 HG23 ILE A 14 0.071 -0.476 -3.377 1.00 24.44 H new ATOM 0 HD11 ILE A 14 3.012 -4.278 -2.423 1.00 35.04 H new ATOM 0 HD12 ILE A 14 3.931 -2.954 -3.178 1.00 35.04 H new ATOM 0 HD13 ILE A 14 3.589 -2.918 -1.432 1.00 35.04 H new ATOM 232 N ARG A 15 1.930 -1.724 -5.897 1.00 61.44 N ATOM 233 CA ARG A 15 1.185 -1.890 -7.158 1.00 21.31 C ATOM 234 C ARG A 15 0.463 -3.250 -7.257 1.00 25.12 C ATOM 235 O ARG A 15 0.745 -4.176 -6.495 1.00 64.10 O ATOM 236 CB ARG A 15 2.147 -1.732 -8.345 1.00 61.23 C ATOM 237 CG ARG A 15 3.123 -2.894 -8.507 1.00 34.31 C ATOM 238 CD ARG A 15 4.209 -2.596 -9.534 1.00 53.45 C ATOM 239 NE ARG A 15 3.658 -2.139 -10.809 1.00 61.15 N ATOM 240 CZ ARG A 15 4.247 -2.281 -11.964 1.00 21.22 C ATOM 241 NH1 ARG A 15 5.379 -2.899 -12.057 1.00 25.52 N ATOM 242 NH2 ARG A 15 3.697 -1.802 -13.030 1.00 55.23 N ATOM 0 H ARG A 15 2.489 -2.532 -5.625 1.00 61.44 H new ATOM 0 HA ARG A 15 0.416 -1.118 -7.180 1.00 21.31 H new ATOM 0 HB2 ARG A 15 1.565 -1.628 -9.261 1.00 61.23 H new ATOM 0 HB3 ARG A 15 2.713 -0.809 -8.221 1.00 61.23 H new ATOM 0 HG2 ARG A 15 3.586 -3.114 -7.545 1.00 34.31 H new ATOM 0 HG3 ARG A 15 2.575 -3.787 -8.809 1.00 34.31 H new ATOM 0 HD2 ARG A 15 4.881 -1.835 -9.138 1.00 53.45 H new ATOM 0 HD3 ARG A 15 4.805 -3.493 -9.699 1.00 53.45 H new ATOM 0 HE ARG A 15 2.749 -1.677 -10.794 1.00 61.15 H new ATOM 0 HH11 ARG A 15 5.821 -3.282 -11.221 1.00 25.52 H new ATOM 0 HH12 ARG A 15 5.830 -3.004 -12.966 1.00 25.52 H new ATOM 0 HH21 ARG A 15 2.804 -1.314 -12.968 1.00 55.23 H new ATOM 0 HH22 ARG A 15 4.156 -1.912 -13.934 1.00 55.23 H new ATOM 256 N ARG A 16 -0.466 -3.338 -8.223 1.00 73.23 N ATOM 257 CA ARG A 16 -1.225 -4.571 -8.520 1.00 62.11 C ATOM 258 C ARG A 16 -2.276 -4.905 -7.439 1.00 32.31 C ATOM 259 O ARG A 16 -2.725 -6.051 -7.335 1.00 10.35 O ATOM 260 CB ARG A 16 -0.282 -5.769 -8.747 1.00 73.44 C ATOM 261 CG ARG A 16 0.582 -5.652 -10.003 1.00 31.34 C ATOM 262 CD ARG A 16 1.360 -6.936 -10.272 1.00 1.40 C ATOM 263 NE ARG A 16 2.132 -6.861 -11.514 1.00 11.02 N ATOM 264 CZ ARG A 16 2.149 -7.793 -12.434 1.00 51.12 C ATOM 265 NH1 ARG A 16 1.471 -8.888 -12.284 1.00 34.02 N ATOM 266 NH2 ARG A 16 2.851 -7.626 -13.502 1.00 2.11 N ATOM 0 H ARG A 16 -0.715 -2.553 -8.825 1.00 73.23 H new ATOM 0 HA ARG A 16 -1.770 -4.376 -9.444 1.00 62.11 H new ATOM 0 HB2 ARG A 16 0.369 -5.875 -7.879 1.00 73.44 H new ATOM 0 HB3 ARG A 16 -0.878 -6.680 -8.812 1.00 73.44 H new ATOM 0 HG2 ARG A 16 -0.051 -5.423 -10.860 1.00 31.34 H new ATOM 0 HG3 ARG A 16 1.278 -4.821 -9.890 1.00 31.34 H new ATOM 0 HD2 ARG A 16 2.034 -7.133 -9.438 1.00 1.40 H new ATOM 0 HD3 ARG A 16 0.667 -7.775 -10.327 1.00 1.40 H new ATOM 0 HE ARG A 16 2.695 -6.026 -11.674 1.00 11.02 H new ATOM 0 HH11 ARG A 16 0.915 -9.032 -11.441 1.00 34.02 H new ATOM 0 HH12 ARG A 16 1.494 -9.605 -13.009 1.00 34.02 H new ATOM 0 HH21 ARG A 16 3.391 -6.770 -13.629 1.00 2.11 H new ATOM 0 HH22 ARG A 16 2.866 -8.350 -14.220 1.00 2.11 H new ATOM 280 N LEU A 17 -2.698 -3.894 -6.677 1.00 71.10 N ATOM 281 CA LEU A 17 -3.751 -4.061 -5.658 1.00 31.44 C ATOM 282 C LEU A 17 -5.139 -4.226 -6.309 1.00 13.43 C ATOM 283 O LEU A 17 -5.641 -3.295 -6.943 1.00 50.45 O ATOM 284 CB LEU A 17 -3.777 -2.850 -4.706 1.00 65.34 C ATOM 285 CG LEU A 17 -2.693 -2.826 -3.611 1.00 71.41 C ATOM 286 CD1 LEU A 17 -2.864 -4.005 -2.654 1.00 64.52 C ATOM 287 CD2 LEU A 17 -1.295 -2.822 -4.223 1.00 55.31 C ATOM 0 H LEU A 17 -2.329 -2.945 -6.742 1.00 71.10 H new ATOM 0 HA LEU A 17 -3.520 -4.964 -5.093 1.00 31.44 H new ATOM 0 HB2 LEU A 17 -3.683 -1.943 -5.302 1.00 65.34 H new ATOM 0 HB3 LEU A 17 -4.754 -2.814 -4.223 1.00 65.34 H new ATOM 0 HG LEU A 17 -2.811 -1.905 -3.041 1.00 71.41 H new ATOM 0 HD11 LEU A 17 -2.088 -3.968 -1.889 1.00 64.52 H new ATOM 0 HD12 LEU A 17 -3.844 -3.950 -2.180 1.00 64.52 H new ATOM 0 HD13 LEU A 17 -2.782 -4.939 -3.209 1.00 64.52 H new ATOM 0 HD21 LEU A 17 -0.550 -2.805 -3.428 1.00 55.31 H new ATOM 0 HD22 LEU A 17 -1.160 -3.719 -4.828 1.00 55.31 H new ATOM 0 HD23 LEU A 17 -1.175 -1.939 -4.851 1.00 55.31 H new ATOM 299 N PRO A 18 -5.766 -5.415 -6.178 1.00 13.23 N ATOM 300 CA PRO A 18 -7.115 -5.671 -6.690 1.00 74.45 C ATOM 301 C PRO A 18 -8.222 -5.427 -5.638 1.00 5.14 C ATOM 302 O PRO A 18 -7.954 -5.412 -4.433 1.00 45.33 O ATOM 303 CB PRO A 18 -7.028 -7.155 -7.062 1.00 1.14 C ATOM 304 CG PRO A 18 -6.073 -7.751 -6.073 1.00 52.40 C ATOM 305 CD PRO A 18 -5.206 -6.621 -5.544 1.00 32.13 C ATOM 0 HA PRO A 18 -7.388 -5.008 -7.511 1.00 74.45 H new ATOM 0 HB2 PRO A 18 -8.005 -7.634 -7.004 1.00 1.14 H new ATOM 0 HB3 PRO A 18 -6.670 -7.285 -8.083 1.00 1.14 H new ATOM 0 HG2 PRO A 18 -6.614 -8.233 -5.259 1.00 52.40 H new ATOM 0 HG3 PRO A 18 -5.459 -8.517 -6.546 1.00 52.40 H new ATOM 0 HD2 PRO A 18 -5.252 -6.558 -4.457 1.00 32.13 H new ATOM 0 HD3 PRO A 18 -4.159 -6.763 -5.811 1.00 32.13 H new ATOM 313 N PRO A 19 -9.485 -5.231 -6.082 1.00 14.15 N ATOM 314 CA PRO A 19 -10.626 -4.998 -5.169 1.00 21.42 C ATOM 315 C PRO A 19 -10.844 -6.142 -4.157 1.00 53.21 C ATOM 316 O PRO A 19 -11.125 -7.284 -4.537 1.00 1.51 O ATOM 317 CB PRO A 19 -11.831 -4.887 -6.120 1.00 2.31 C ATOM 318 CG PRO A 19 -11.246 -4.530 -7.446 1.00 72.31 C ATOM 319 CD PRO A 19 -9.901 -5.204 -7.499 1.00 61.41 C ATOM 0 HA PRO A 19 -10.462 -4.115 -4.551 1.00 21.42 H new ATOM 0 HB2 PRO A 19 -12.381 -5.827 -6.171 1.00 2.31 H new ATOM 0 HB3 PRO A 19 -12.533 -4.125 -5.780 1.00 2.31 H new ATOM 0 HG2 PRO A 19 -11.886 -4.871 -8.260 1.00 72.31 H new ATOM 0 HG3 PRO A 19 -11.146 -3.450 -7.551 1.00 72.31 H new ATOM 0 HD2 PRO A 19 -9.969 -6.208 -7.919 1.00 61.41 H new ATOM 0 HD3 PRO A 19 -9.195 -4.648 -8.116 1.00 61.41 H new ATOM 327 N GLY A 20 -10.710 -5.826 -2.868 1.00 73.23 N ATOM 328 CA GLY A 20 -10.926 -6.820 -1.818 1.00 43.02 C ATOM 329 C GLY A 20 -11.384 -6.205 -0.497 1.00 0.25 C ATOM 330 O GLY A 20 -12.404 -5.516 -0.449 1.00 0.52 O ATOM 0 H GLY A 20 -10.455 -4.898 -2.529 1.00 73.23 H new ATOM 0 HA2 GLY A 20 -11.672 -7.540 -2.155 1.00 43.02 H new ATOM 0 HA3 GLY A 20 -10.001 -7.373 -1.653 1.00 43.02 H new ATOM 334 N LEU A 21 -10.646 -6.475 0.578 1.00 41.10 N ATOM 335 CA LEU A 21 -10.942 -5.891 1.894 1.00 15.53 C ATOM 336 C LEU A 21 -10.762 -4.359 1.896 1.00 70.24 C ATOM 337 O LEU A 21 -9.967 -3.809 1.131 1.00 45.41 O ATOM 338 CB LEU A 21 -10.069 -6.533 2.993 1.00 51.23 C ATOM 339 CG LEU A 21 -8.559 -6.213 2.964 1.00 70.50 C ATOM 340 CD1 LEU A 21 -7.859 -6.850 4.163 1.00 12.44 C ATOM 341 CD2 LEU A 21 -7.903 -6.675 1.661 1.00 24.12 C ATOM 0 H LEU A 21 -9.836 -7.095 0.568 1.00 41.10 H new ATOM 0 HA LEU A 21 -11.989 -6.104 2.110 1.00 15.53 H new ATOM 0 HB2 LEU A 21 -10.462 -6.224 3.962 1.00 51.23 H new ATOM 0 HB3 LEU A 21 -10.187 -7.615 2.931 1.00 51.23 H new ATOM 0 HG LEU A 21 -8.452 -5.130 3.020 1.00 70.50 H new ATOM 0 HD11 LEU A 21 -6.795 -6.616 4.130 1.00 12.44 H new ATOM 0 HD12 LEU A 21 -8.288 -6.458 5.085 1.00 12.44 H new ATOM 0 HD13 LEU A 21 -7.994 -7.931 4.131 1.00 12.44 H new ATOM 0 HD21 LEU A 21 -6.841 -6.431 1.682 1.00 24.12 H new ATOM 0 HD22 LEU A 21 -8.025 -7.753 1.554 1.00 24.12 H new ATOM 0 HD23 LEU A 21 -8.375 -6.171 0.817 1.00 24.12 H new ATOM 353 N THR A 22 -11.492 -3.678 2.780 1.00 54.55 N ATOM 354 CA THR A 22 -11.477 -2.210 2.841 1.00 40.23 C ATOM 355 C THR A 22 -10.166 -1.684 3.451 1.00 64.13 C ATOM 356 O THR A 22 -9.521 -2.368 4.249 1.00 72.13 O ATOM 357 CB THR A 22 -12.688 -1.672 3.652 1.00 61.32 C ATOM 358 OG1 THR A 22 -13.920 -2.134 3.067 1.00 53.52 O ATOM 359 CG2 THR A 22 -12.707 -0.145 3.712 1.00 41.41 C ATOM 0 H THR A 22 -12.104 -4.118 3.467 1.00 54.55 H new ATOM 0 HA THR A 22 -11.550 -1.847 1.816 1.00 40.23 H new ATOM 0 HB THR A 22 -12.587 -2.052 4.669 1.00 61.32 H new ATOM 0 HG1 THR A 22 -13.792 -2.280 2.106 1.00 53.52 H new ATOM 0 HG21 THR A 22 -13.571 0.186 4.289 1.00 41.41 H new ATOM 0 HG22 THR A 22 -11.794 0.212 4.189 1.00 41.41 H new ATOM 0 HG23 THR A 22 -12.770 0.258 2.701 1.00 41.41 H new ATOM 367 N LYS A 23 -9.795 -0.454 3.075 1.00 1.32 N ATOM 368 CA LYS A 23 -8.512 0.155 3.467 1.00 65.24 C ATOM 369 C LYS A 23 -8.178 -0.022 4.959 1.00 34.31 C ATOM 370 O LYS A 23 -7.019 -0.209 5.309 1.00 52.45 O ATOM 371 CB LYS A 23 -8.499 1.648 3.106 1.00 62.31 C ATOM 372 CG LYS A 23 -9.565 2.482 3.822 1.00 2.30 C ATOM 373 CD LYS A 23 -9.481 3.964 3.448 1.00 53.43 C ATOM 374 CE LYS A 23 -8.137 4.580 3.833 1.00 72.30 C ATOM 375 NZ LYS A 23 -8.031 5.997 3.396 1.00 23.23 N ATOM 0 H LYS A 23 -10.374 0.149 2.491 1.00 1.32 H new ATOM 0 HA LYS A 23 -7.741 -0.375 2.908 1.00 65.24 H new ATOM 0 HB2 LYS A 23 -7.517 2.057 3.341 1.00 62.31 H new ATOM 0 HB3 LYS A 23 -8.638 1.750 2.030 1.00 62.31 H new ATOM 0 HG2 LYS A 23 -10.554 2.100 3.569 1.00 2.30 H new ATOM 0 HG3 LYS A 23 -9.447 2.373 4.900 1.00 2.30 H new ATOM 0 HD2 LYS A 23 -9.636 4.076 2.375 1.00 53.43 H new ATOM 0 HD3 LYS A 23 -10.284 4.509 3.945 1.00 53.43 H new ATOM 0 HE2 LYS A 23 -8.008 4.523 4.914 1.00 72.30 H new ATOM 0 HE3 LYS A 23 -7.330 4.000 3.384 1.00 72.30 H new ATOM 0 HZ1 LYS A 23 -7.105 6.378 3.676 1.00 23.23 H new ATOM 0 HZ2 LYS A 23 -8.129 6.050 2.362 1.00 23.23 H new ATOM 0 HZ3 LYS A 23 -8.785 6.556 3.844 1.00 23.23 H new ATOM 389 N GLU A 24 -9.191 0.021 5.829 1.00 34.42 N ATOM 390 CA GLU A 24 -8.977 -0.104 7.283 1.00 61.50 C ATOM 391 C GLU A 24 -8.109 -1.323 7.643 1.00 14.43 C ATOM 392 O GLU A 24 -7.313 -1.277 8.579 1.00 20.10 O ATOM 393 CB GLU A 24 -10.320 -0.194 8.017 1.00 2.33 C ATOM 394 CG GLU A 24 -11.223 1.016 7.799 1.00 22.34 C ATOM 395 CD GLU A 24 -12.510 0.939 8.604 1.00 74.53 C ATOM 396 OE1 GLU A 24 -13.409 0.163 8.222 1.00 63.34 O ATOM 397 OE2 GLU A 24 -12.626 1.645 9.625 1.00 64.24 O ATOM 0 H GLU A 24 -10.167 0.141 5.558 1.00 34.42 H new ATOM 0 HA GLU A 24 -8.443 0.791 7.602 1.00 61.50 H new ATOM 0 HB2 GLU A 24 -10.844 -1.091 7.687 1.00 2.33 H new ATOM 0 HB3 GLU A 24 -10.133 -0.308 9.085 1.00 2.33 H new ATOM 0 HG2 GLU A 24 -10.682 1.922 8.072 1.00 22.34 H new ATOM 0 HG3 GLU A 24 -11.466 1.097 6.740 1.00 22.34 H new ATOM 404 N GLN A 25 -8.279 -2.412 6.900 1.00 51.43 N ATOM 405 CA GLN A 25 -7.456 -3.617 7.081 1.00 21.44 C ATOM 406 C GLN A 25 -6.429 -3.743 5.944 1.00 54.12 C ATOM 407 O GLN A 25 -5.279 -4.111 6.159 1.00 65.43 O ATOM 408 CB GLN A 25 -8.348 -4.867 7.122 1.00 13.11 C ATOM 409 CG GLN A 25 -9.460 -4.804 8.166 1.00 10.13 C ATOM 410 CD GLN A 25 -10.306 -6.068 8.204 1.00 32.45 C ATOM 411 OE1 GLN A 25 -10.011 -7.009 8.936 1.00 61.54 O ATOM 412 NE2 GLN A 25 -11.363 -6.107 7.417 1.00 23.13 N ATOM 0 H GLN A 25 -8.980 -2.491 6.163 1.00 51.43 H new ATOM 0 HA GLN A 25 -6.922 -3.531 8.027 1.00 21.44 H new ATOM 0 HB2 GLN A 25 -8.795 -5.014 6.139 1.00 13.11 H new ATOM 0 HB3 GLN A 25 -7.725 -5.739 7.322 1.00 13.11 H new ATOM 0 HG2 GLN A 25 -9.020 -4.637 9.149 1.00 10.13 H new ATOM 0 HG3 GLN A 25 -10.102 -3.949 7.955 1.00 10.13 H new ATOM 0 HE21 GLN A 25 -11.584 -5.310 6.820 1.00 23.13 H new ATOM 0 HE22 GLN A 25 -11.960 -6.934 7.406 1.00 23.13 H new ATOM 421 N LEU A 26 -6.862 -3.412 4.733 1.00 50.42 N ATOM 422 CA LEU A 26 -6.008 -3.460 3.540 1.00 43.13 C ATOM 423 C LEU A 26 -4.685 -2.678 3.722 1.00 31.14 C ATOM 424 O LEU A 26 -3.633 -3.105 3.239 1.00 41.23 O ATOM 425 CB LEU A 26 -6.811 -2.924 2.337 1.00 44.11 C ATOM 426 CG LEU A 26 -6.001 -2.450 1.116 1.00 4.32 C ATOM 427 CD1 LEU A 26 -5.228 -3.604 0.486 1.00 62.54 C ATOM 428 CD2 LEU A 26 -6.923 -1.793 0.090 1.00 34.31 C ATOM 0 H LEU A 26 -7.815 -3.102 4.545 1.00 50.42 H new ATOM 0 HA LEU A 26 -5.718 -4.496 3.364 1.00 43.13 H new ATOM 0 HB2 LEU A 26 -7.494 -3.708 2.008 1.00 44.11 H new ATOM 0 HB3 LEU A 26 -7.424 -2.091 2.682 1.00 44.11 H new ATOM 0 HG LEU A 26 -5.276 -1.711 1.456 1.00 4.32 H new ATOM 0 HD11 LEU A 26 -4.666 -3.239 -0.374 1.00 62.54 H new ATOM 0 HD12 LEU A 26 -4.539 -4.023 1.219 1.00 62.54 H new ATOM 0 HD13 LEU A 26 -5.926 -4.376 0.162 1.00 62.54 H new ATOM 0 HD21 LEU A 26 -6.337 -1.463 -0.767 1.00 34.31 H new ATOM 0 HD22 LEU A 26 -7.673 -2.512 -0.239 1.00 34.31 H new ATOM 0 HD23 LEU A 26 -7.418 -0.934 0.543 1.00 34.31 H new ATOM 440 N GLU A 27 -4.733 -1.562 4.443 1.00 71.22 N ATOM 441 CA GLU A 27 -3.565 -0.679 4.583 1.00 21.30 C ATOM 442 C GLU A 27 -2.480 -1.257 5.513 1.00 52.14 C ATOM 443 O GLU A 27 -1.302 -0.928 5.370 1.00 72.35 O ATOM 444 CB GLU A 27 -4.000 0.700 5.103 1.00 70.53 C ATOM 445 CG GLU A 27 -4.448 0.700 6.563 1.00 21.11 C ATOM 446 CD GLU A 27 -4.946 2.059 7.026 1.00 13.31 C ATOM 447 OE1 GLU A 27 -4.171 3.033 6.960 1.00 54.33 O ATOM 448 OE2 GLU A 27 -6.103 2.155 7.482 1.00 42.11 O ATOM 0 H GLU A 27 -5.564 -1.242 4.941 1.00 71.22 H new ATOM 0 HA GLU A 27 -3.127 -0.588 3.589 1.00 21.30 H new ATOM 0 HB2 GLU A 27 -3.171 1.398 4.988 1.00 70.53 H new ATOM 0 HB3 GLU A 27 -4.817 1.070 4.483 1.00 70.53 H new ATOM 0 HG2 GLU A 27 -5.240 -0.037 6.695 1.00 21.11 H new ATOM 0 HG3 GLU A 27 -3.615 0.389 7.194 1.00 21.11 H new ATOM 455 N GLU A 28 -2.866 -2.126 6.449 1.00 61.22 N ATOM 456 CA GLU A 28 -1.933 -2.602 7.486 1.00 65.14 C ATOM 457 C GLU A 28 -0.686 -3.277 6.883 1.00 20.21 C ATOM 458 O GLU A 28 0.436 -3.019 7.319 1.00 22.35 O ATOM 459 CB GLU A 28 -2.640 -3.555 8.462 1.00 0.35 C ATOM 460 CG GLU A 28 -2.967 -4.922 7.874 1.00 13.45 C ATOM 461 CD GLU A 28 -3.704 -5.823 8.849 1.00 22.22 C ATOM 462 OE1 GLU A 28 -4.948 -5.748 8.908 1.00 11.22 O ATOM 463 OE2 GLU A 28 -3.041 -6.610 9.555 1.00 4.24 O ATOM 0 H GLU A 28 -3.807 -2.514 6.515 1.00 61.22 H new ATOM 0 HA GLU A 28 -1.594 -1.724 8.035 1.00 65.14 H new ATOM 0 HB2 GLU A 28 -2.009 -3.691 9.340 1.00 0.35 H new ATOM 0 HB3 GLU A 28 -3.564 -3.088 8.803 1.00 0.35 H new ATOM 0 HG2 GLU A 28 -3.574 -4.791 6.978 1.00 13.45 H new ATOM 0 HG3 GLU A 28 -2.043 -5.409 7.564 1.00 13.45 H new ATOM 470 N GLN A 29 -0.880 -4.128 5.872 1.00 52.20 N ATOM 471 CA GLN A 29 0.248 -4.790 5.200 1.00 13.42 C ATOM 472 C GLN A 29 0.863 -3.898 4.110 1.00 70.44 C ATOM 473 O GLN A 29 1.915 -4.216 3.557 1.00 62.34 O ATOM 474 CB GLN A 29 -0.168 -6.149 4.603 1.00 12.51 C ATOM 475 CG GLN A 29 -1.430 -6.113 3.738 1.00 43.12 C ATOM 476 CD GLN A 29 -2.707 -6.319 4.539 1.00 32.11 C ATOM 477 OE1 GLN A 29 -2.719 -7.018 5.544 1.00 64.12 O ATOM 478 NE2 GLN A 29 -3.787 -5.708 4.106 1.00 31.43 N ATOM 0 H GLN A 29 -1.798 -4.375 5.501 1.00 52.20 H new ATOM 0 HA GLN A 29 1.007 -4.968 5.962 1.00 13.42 H new ATOM 0 HB2 GLN A 29 0.656 -6.533 4.002 1.00 12.51 H new ATOM 0 HB3 GLN A 29 -0.324 -6.855 5.418 1.00 12.51 H new ATOM 0 HG2 GLN A 29 -1.482 -5.155 3.222 1.00 43.12 H new ATOM 0 HG3 GLN A 29 -1.360 -6.885 2.971 1.00 43.12 H new ATOM 0 HE21 GLN A 29 -3.745 -5.132 3.265 1.00 31.43 H new ATOM 0 HE22 GLN A 29 -4.667 -5.809 4.611 1.00 31.43 H new ATOM 487 N LEU A 30 0.204 -2.780 3.807 1.00 22.30 N ATOM 488 CA LEU A 30 0.738 -1.807 2.848 1.00 13.34 C ATOM 489 C LEU A 30 1.598 -0.745 3.556 1.00 12.54 C ATOM 490 O LEU A 30 2.383 -0.039 2.925 1.00 24.22 O ATOM 491 CB LEU A 30 -0.402 -1.139 2.068 1.00 74.25 C ATOM 492 CG LEU A 30 -1.282 -2.094 1.239 1.00 72.51 C ATOM 493 CD1 LEU A 30 -2.326 -1.311 0.446 1.00 44.04 C ATOM 494 CD2 LEU A 30 -0.426 -2.952 0.306 1.00 52.24 C ATOM 0 H LEU A 30 -0.698 -2.524 4.209 1.00 22.30 H new ATOM 0 HA LEU A 30 1.375 -2.344 2.145 1.00 13.34 H new ATOM 0 HB2 LEU A 30 -1.039 -0.605 2.774 1.00 74.25 H new ATOM 0 HB3 LEU A 30 0.026 -0.393 1.398 1.00 74.25 H new ATOM 0 HG LEU A 30 -1.803 -2.760 1.927 1.00 72.51 H new ATOM 0 HD11 LEU A 30 -2.938 -2.003 -0.133 1.00 44.04 H new ATOM 0 HD12 LEU A 30 -2.962 -0.753 1.133 1.00 44.04 H new ATOM 0 HD13 LEU A 30 -1.825 -0.617 -0.229 1.00 44.04 H new ATOM 0 HD21 LEU A 30 -1.070 -3.618 -0.269 1.00 52.24 H new ATOM 0 HD22 LEU A 30 0.129 -2.307 -0.375 1.00 52.24 H new ATOM 0 HD23 LEU A 30 0.274 -3.544 0.896 1.00 52.24 H new ATOM 506 N ARG A 31 1.440 -0.628 4.877 1.00 5.43 N ATOM 507 CA ARG A 31 2.306 0.242 5.682 1.00 33.34 C ATOM 508 C ARG A 31 2.734 -0.426 7.007 1.00 72.44 C ATOM 509 O ARG A 31 2.439 0.076 8.093 1.00 72.14 O ATOM 510 CB ARG A 31 1.631 1.602 5.954 1.00 74.10 C ATOM 511 CG ARG A 31 0.262 1.527 6.636 1.00 31.10 C ATOM 512 CD ARG A 31 -0.135 2.882 7.217 1.00 2.34 C ATOM 513 NE ARG A 31 -1.484 2.890 7.780 1.00 33.23 N ATOM 514 CZ ARG A 31 -1.761 3.117 9.039 1.00 71.04 C ATOM 515 NH1 ARG A 31 -0.820 3.243 9.919 1.00 54.11 N ATOM 516 NH2 ARG A 31 -2.990 3.207 9.418 1.00 13.24 N ATOM 0 H ARG A 31 0.725 -1.121 5.411 1.00 5.43 H new ATOM 0 HA ARG A 31 3.209 0.415 5.097 1.00 33.34 H new ATOM 0 HB2 ARG A 31 2.296 2.201 6.576 1.00 74.10 H new ATOM 0 HB3 ARG A 31 1.519 2.129 5.007 1.00 74.10 H new ATOM 0 HG2 ARG A 31 -0.489 1.202 5.916 1.00 31.10 H new ATOM 0 HG3 ARG A 31 0.288 0.780 7.430 1.00 31.10 H new ATOM 0 HD2 ARG A 31 0.578 3.161 7.993 1.00 2.34 H new ATOM 0 HD3 ARG A 31 -0.069 3.639 6.436 1.00 2.34 H new ATOM 0 HE ARG A 31 -2.263 2.706 7.148 1.00 33.23 H new ATOM 0 HH11 ARG A 31 0.157 3.166 9.636 1.00 54.11 H new ATOM 0 HH12 ARG A 31 -1.055 3.420 10.896 1.00 54.11 H new ATOM 0 HH21 ARG A 31 -3.743 3.101 8.738 1.00 13.24 H new ATOM 0 HH22 ARG A 31 -3.210 3.384 10.398 1.00 13.24 H new ATOM 530 N PRO A 32 3.454 -1.569 6.934 1.00 64.51 N ATOM 531 CA PRO A 32 3.975 -2.266 8.122 1.00 62.54 C ATOM 532 C PRO A 32 5.387 -1.795 8.530 1.00 24.40 C ATOM 533 O PRO A 32 6.085 -2.474 9.288 1.00 73.13 O ATOM 534 CB PRO A 32 4.001 -3.717 7.639 1.00 35.20 C ATOM 535 CG PRO A 32 4.366 -3.615 6.193 1.00 32.14 C ATOM 536 CD PRO A 32 3.797 -2.302 5.695 1.00 1.32 C ATOM 0 HA PRO A 32 3.374 -2.089 9.014 1.00 62.54 H new ATOM 0 HB2 PRO A 32 4.730 -4.308 8.193 1.00 35.20 H new ATOM 0 HB3 PRO A 32 3.032 -4.199 7.772 1.00 35.20 H new ATOM 0 HG2 PRO A 32 5.448 -3.642 6.064 1.00 32.14 H new ATOM 0 HG3 PRO A 32 3.956 -4.453 5.630 1.00 32.14 H new ATOM 0 HD2 PRO A 32 4.523 -1.754 5.095 1.00 1.32 H new ATOM 0 HD3 PRO A 32 2.919 -2.459 5.068 1.00 1.32 H new ATOM 544 N LEU A 33 5.801 -0.633 8.025 1.00 63.13 N ATOM 545 CA LEU A 33 7.128 -0.078 8.329 1.00 22.13 C ATOM 546 C LEU A 33 7.185 0.506 9.753 1.00 65.41 C ATOM 547 O LEU A 33 6.154 0.868 10.321 1.00 44.02 O ATOM 548 CB LEU A 33 7.510 1.010 7.306 1.00 42.12 C ATOM 549 CG LEU A 33 7.729 0.529 5.857 1.00 51.50 C ATOM 550 CD1 LEU A 33 6.414 0.123 5.194 1.00 34.11 C ATOM 551 CD2 LEU A 33 8.433 1.606 5.038 1.00 32.33 C ATOM 0 H LEU A 33 5.238 -0.054 7.402 1.00 63.13 H new ATOM 0 HA LEU A 33 7.844 -0.898 8.266 1.00 22.13 H new ATOM 0 HB2 LEU A 33 6.726 1.768 7.302 1.00 42.12 H new ATOM 0 HB3 LEU A 33 8.423 1.498 7.648 1.00 42.12 H new ATOM 0 HG LEU A 33 8.365 -0.355 5.894 1.00 51.50 H new ATOM 0 HD11 LEU A 33 6.608 -0.210 4.174 1.00 34.11 H new ATOM 0 HD12 LEU A 33 5.957 -0.688 5.760 1.00 34.11 H new ATOM 0 HD13 LEU A 33 5.738 0.978 5.174 1.00 34.11 H new ATOM 0 HD21 LEU A 33 8.580 1.250 4.018 1.00 32.33 H new ATOM 0 HD22 LEU A 33 7.822 2.509 5.023 1.00 32.33 H new ATOM 0 HD23 LEU A 33 9.401 1.830 5.487 1.00 32.33 H new ATOM 563 N PRO A 34 8.396 0.610 10.349 1.00 53.34 N ATOM 564 CA PRO A 34 8.567 1.173 11.701 1.00 22.35 C ATOM 565 C PRO A 34 8.105 2.639 11.802 1.00 24.43 C ATOM 566 O PRO A 34 7.307 2.988 12.673 1.00 40.31 O ATOM 567 CB PRO A 34 10.081 1.059 11.957 1.00 30.10 C ATOM 568 CG PRO A 34 10.696 0.914 10.605 1.00 11.52 C ATOM 569 CD PRO A 34 9.683 0.179 9.769 1.00 13.33 C ATOM 0 HA PRO A 34 7.960 0.642 12.434 1.00 22.35 H new ATOM 0 HB2 PRO A 34 10.461 1.942 12.470 1.00 30.10 H new ATOM 0 HB3 PRO A 34 10.310 0.200 12.588 1.00 30.10 H new ATOM 0 HG2 PRO A 34 10.926 1.888 10.174 1.00 11.52 H new ATOM 0 HG3 PRO A 34 11.633 0.360 10.659 1.00 11.52 H new ATOM 0 HD2 PRO A 34 9.760 0.446 8.715 1.00 13.33 H new ATOM 0 HD3 PRO A 34 9.813 -0.901 9.835 1.00 13.33 H new ATOM 577 N ALA A 35 8.604 3.493 10.904 1.00 65.54 N ATOM 578 CA ALA A 35 8.231 4.916 10.893 1.00 45.12 C ATOM 579 C ALA A 35 8.265 5.501 9.472 1.00 41.42 C ATOM 580 O ALA A 35 9.312 5.519 8.825 1.00 14.22 O ATOM 581 CB ALA A 35 9.156 5.709 11.815 1.00 31.13 C ATOM 0 H ALA A 35 9.266 3.227 10.175 1.00 65.54 H new ATOM 0 HA ALA A 35 7.207 4.995 11.258 1.00 45.12 H new ATOM 0 HB1 ALA A 35 8.871 6.761 11.799 1.00 31.13 H new ATOM 0 HB2 ALA A 35 9.072 5.326 12.832 1.00 31.13 H new ATOM 0 HB3 ALA A 35 10.186 5.607 11.473 1.00 31.13 H new ATOM 587 N HIS A 36 7.113 5.979 8.993 1.00 62.52 N ATOM 588 CA HIS A 36 7.017 6.587 7.658 1.00 3.44 C ATOM 589 C HIS A 36 5.605 7.134 7.391 1.00 62.54 C ATOM 590 O HIS A 36 4.626 6.664 7.976 1.00 13.34 O ATOM 591 CB HIS A 36 7.372 5.562 6.568 1.00 51.01 C ATOM 592 CG HIS A 36 6.272 4.582 6.285 1.00 63.43 C ATOM 593 ND1 HIS A 36 5.597 3.895 7.271 1.00 55.14 N ATOM 594 CD2 HIS A 36 5.699 4.206 5.117 1.00 64.13 C ATOM 595 CE1 HIS A 36 4.663 3.146 6.727 1.00 2.23 C ATOM 596 NE2 HIS A 36 4.701 3.314 5.420 1.00 2.24 N ATOM 0 H HIS A 36 6.233 5.958 9.508 1.00 62.52 H new ATOM 0 HA HIS A 36 7.727 7.414 7.629 1.00 3.44 H new ATOM 0 HB2 HIS A 36 7.620 6.093 5.649 1.00 51.01 H new ATOM 0 HB3 HIS A 36 8.265 5.016 6.872 1.00 51.01 H new ATOM 0 HD2 HIS A 36 5.976 4.545 4.130 1.00 64.13 H new ATOM 0 HE1 HIS A 36 3.980 2.502 7.261 1.00 2.23 H new ATOM 0 HE2 HIS A 36 4.089 2.856 4.745 1.00 2.24 H new ATOM 605 N ASP A 37 5.505 8.109 6.496 1.00 2.51 N ATOM 606 CA ASP A 37 4.208 8.638 6.071 1.00 41.24 C ATOM 607 C ASP A 37 3.432 7.614 5.221 1.00 74.45 C ATOM 608 O ASP A 37 4.016 6.711 4.613 1.00 33.13 O ATOM 609 CB ASP A 37 4.411 9.920 5.262 1.00 43.10 C ATOM 610 CG ASP A 37 5.096 11.014 6.058 1.00 52.21 C ATOM 611 OD1 ASP A 37 6.328 10.938 6.246 1.00 11.12 O ATOM 612 OD2 ASP A 37 4.413 11.971 6.472 1.00 3.44 O ATOM 0 H ASP A 37 6.307 8.553 6.048 1.00 2.51 H new ATOM 0 HA ASP A 37 3.624 8.851 6.967 1.00 41.24 H new ATOM 0 HB2 ASP A 37 5.005 9.695 4.376 1.00 43.10 H new ATOM 0 HB3 ASP A 37 3.444 10.282 4.914 1.00 43.10 H new ATOM 617 N TYR A 38 2.115 7.767 5.181 1.00 54.54 N ATOM 618 CA TYR A 38 1.256 6.898 4.372 1.00 61.20 C ATOM 619 C TYR A 38 0.215 7.720 3.593 1.00 33.44 C ATOM 620 O TYR A 38 -0.339 8.691 4.109 1.00 54.21 O ATOM 621 CB TYR A 38 0.568 5.853 5.262 1.00 23.03 C ATOM 622 CG TYR A 38 -0.212 6.446 6.423 1.00 61.20 C ATOM 623 CD1 TYR A 38 0.421 6.755 7.624 1.00 75.40 C ATOM 624 CD2 TYR A 38 -1.578 6.698 6.320 1.00 3.25 C ATOM 625 CE1 TYR A 38 -0.281 7.297 8.682 1.00 54.22 C ATOM 626 CE2 TYR A 38 -2.286 7.241 7.375 1.00 43.22 C ATOM 627 CZ TYR A 38 -1.631 7.537 8.554 1.00 34.13 C ATOM 628 OH TYR A 38 -2.331 8.080 9.608 1.00 54.12 O ATOM 0 H TYR A 38 1.612 8.487 5.700 1.00 54.54 H new ATOM 0 HA TYR A 38 1.882 6.379 3.646 1.00 61.20 H new ATOM 0 HB2 TYR A 38 -0.109 5.258 4.649 1.00 23.03 H new ATOM 0 HB3 TYR A 38 1.323 5.172 5.655 1.00 23.03 H new ATOM 0 HD1 TYR A 38 1.479 6.567 7.730 1.00 75.40 H new ATOM 0 HD2 TYR A 38 -2.093 6.465 5.400 1.00 3.25 H new ATOM 0 HE1 TYR A 38 0.226 7.532 9.606 1.00 54.22 H new ATOM 0 HE2 TYR A 38 -3.344 7.433 7.278 1.00 43.22 H new ATOM 0 HH TYR A 38 -3.272 8.187 9.355 1.00 54.12 H new ATOM 638 N PHE A 39 -0.043 7.327 2.349 1.00 54.21 N ATOM 639 CA PHE A 39 -0.950 8.076 1.472 1.00 52.03 C ATOM 640 C PHE A 39 -2.378 7.511 1.468 1.00 34.53 C ATOM 641 O PHE A 39 -2.745 6.673 2.292 1.00 11.42 O ATOM 642 CB PHE A 39 -0.394 8.095 0.041 1.00 2.14 C ATOM 643 CG PHE A 39 0.419 9.322 -0.278 1.00 4.34 C ATOM 644 CD1 PHE A 39 1.781 9.371 -0.015 1.00 13.11 C ATOM 645 CD2 PHE A 39 -0.192 10.430 -0.844 1.00 33.20 C ATOM 646 CE1 PHE A 39 2.515 10.504 -0.313 1.00 23.00 C ATOM 647 CE2 PHE A 39 0.533 11.561 -1.142 1.00 23.30 C ATOM 648 CZ PHE A 39 1.890 11.602 -0.878 1.00 15.31 C ATOM 0 H PHE A 39 0.361 6.494 1.921 1.00 54.21 H new ATOM 0 HA PHE A 39 -1.009 9.090 1.867 1.00 52.03 H new ATOM 0 HB2 PHE A 39 0.225 7.211 -0.110 1.00 2.14 H new ATOM 0 HB3 PHE A 39 -1.224 8.027 -0.662 1.00 2.14 H new ATOM 0 HD1 PHE A 39 2.272 8.516 0.426 1.00 13.11 H new ATOM 0 HD2 PHE A 39 -1.251 10.405 -1.054 1.00 33.20 H new ATOM 0 HE1 PHE A 39 3.574 10.532 -0.105 1.00 23.00 H new ATOM 0 HE2 PHE A 39 0.042 12.417 -1.582 1.00 23.30 H new ATOM 0 HZ PHE A 39 2.461 12.489 -1.112 1.00 15.31 H new ATOM 658 N GLU A 40 -3.179 8.011 0.531 1.00 21.11 N ATOM 659 CA GLU A 40 -4.574 7.592 0.374 1.00 75.32 C ATOM 660 C GLU A 40 -4.703 6.123 -0.076 1.00 74.31 C ATOM 661 O GLU A 40 -4.418 5.779 -1.225 1.00 5.14 O ATOM 662 CB GLU A 40 -5.279 8.524 -0.628 1.00 71.13 C ATOM 663 CG GLU A 40 -4.487 8.763 -1.915 1.00 31.21 C ATOM 664 CD GLU A 40 -5.217 9.662 -2.900 1.00 11.42 C ATOM 665 OE1 GLU A 40 -6.049 9.154 -3.679 1.00 55.21 O ATOM 666 OE2 GLU A 40 -4.957 10.886 -2.900 1.00 72.22 O ATOM 0 H GLU A 40 -2.882 8.718 -0.142 1.00 21.11 H new ATOM 0 HA GLU A 40 -5.054 7.664 1.350 1.00 75.32 H new ATOM 0 HB2 GLU A 40 -6.250 8.099 -0.884 1.00 71.13 H new ATOM 0 HB3 GLU A 40 -5.468 9.483 -0.146 1.00 71.13 H new ATOM 0 HG2 GLU A 40 -3.525 9.211 -1.666 1.00 31.21 H new ATOM 0 HG3 GLU A 40 -4.279 7.805 -2.391 1.00 31.21 H new ATOM 673 N PHE A 41 -5.114 5.259 0.849 1.00 4.44 N ATOM 674 CA PHE A 41 -5.438 3.866 0.522 1.00 12.41 C ATOM 675 C PHE A 41 -6.892 3.764 0.037 1.00 51.21 C ATOM 676 O PHE A 41 -7.811 4.206 0.724 1.00 41.41 O ATOM 677 CB PHE A 41 -5.224 2.962 1.744 1.00 54.21 C ATOM 678 CG PHE A 41 -3.802 2.947 2.243 1.00 41.31 C ATOM 679 CD1 PHE A 41 -2.865 2.086 1.689 1.00 51.34 C ATOM 680 CD2 PHE A 41 -3.401 3.798 3.261 1.00 60.34 C ATOM 681 CE1 PHE A 41 -1.560 2.079 2.142 1.00 44.40 C ATOM 682 CE2 PHE A 41 -2.097 3.792 3.717 1.00 14.23 C ATOM 683 CZ PHE A 41 -1.175 2.933 3.158 1.00 2.23 C ATOM 0 H PHE A 41 -5.232 5.496 1.834 1.00 4.44 H new ATOM 0 HA PHE A 41 -4.773 3.533 -0.275 1.00 12.41 H new ATOM 0 HB2 PHE A 41 -5.879 3.293 2.550 1.00 54.21 H new ATOM 0 HB3 PHE A 41 -5.521 1.945 1.489 1.00 54.21 H new ATOM 0 HD1 PHE A 41 -3.159 1.415 0.896 1.00 51.34 H new ATOM 0 HD2 PHE A 41 -4.117 4.474 3.703 1.00 60.34 H new ATOM 0 HE1 PHE A 41 -0.840 1.405 1.702 1.00 44.40 H new ATOM 0 HE2 PHE A 41 -1.800 4.460 4.512 1.00 14.23 H new ATOM 0 HZ PHE A 41 -0.155 2.927 3.513 1.00 2.23 H new ATOM 693 N PHE A 42 -7.090 3.188 -1.145 1.00 24.32 N ATOM 694 CA PHE A 42 -8.421 3.121 -1.760 1.00 30.23 C ATOM 695 C PHE A 42 -9.400 2.248 -0.953 1.00 5.22 C ATOM 696 O PHE A 42 -9.014 1.239 -0.354 1.00 71.14 O ATOM 697 CB PHE A 42 -8.316 2.605 -3.206 1.00 65.00 C ATOM 698 CG PHE A 42 -7.891 1.158 -3.331 1.00 51.23 C ATOM 699 CD1 PHE A 42 -6.574 0.779 -3.107 1.00 73.21 C ATOM 700 CD2 PHE A 42 -8.810 0.180 -3.689 1.00 11.20 C ATOM 701 CE1 PHE A 42 -6.187 -0.540 -3.235 1.00 5.34 C ATOM 702 CE2 PHE A 42 -8.425 -1.139 -3.820 1.00 51.32 C ATOM 703 CZ PHE A 42 -7.112 -1.499 -3.593 1.00 15.41 C ATOM 0 H PHE A 42 -6.349 2.760 -1.700 1.00 24.32 H new ATOM 0 HA PHE A 42 -8.823 4.134 -1.764 1.00 30.23 H new ATOM 0 HB2 PHE A 42 -9.283 2.729 -3.693 1.00 65.00 H new ATOM 0 HB3 PHE A 42 -7.604 3.227 -3.749 1.00 65.00 H new ATOM 0 HD1 PHE A 42 -5.844 1.525 -2.829 1.00 73.21 H new ATOM 0 HD2 PHE A 42 -9.839 0.455 -3.867 1.00 11.20 H new ATOM 0 HE1 PHE A 42 -5.160 -0.821 -3.055 1.00 5.34 H new ATOM 0 HE2 PHE A 42 -9.150 -1.889 -4.100 1.00 51.32 H new ATOM 0 HZ PHE A 42 -6.809 -2.531 -3.696 1.00 15.41 H new ATOM 713 N ALA A 43 -10.669 2.652 -0.935 1.00 65.02 N ATOM 714 CA ALA A 43 -11.727 1.880 -0.280 1.00 60.00 C ATOM 715 C ALA A 43 -12.191 0.722 -1.178 1.00 41.43 C ATOM 716 O ALA A 43 -12.865 0.933 -2.189 1.00 3.41 O ATOM 717 CB ALA A 43 -12.899 2.790 0.078 1.00 33.12 C ATOM 0 H ALA A 43 -10.992 3.516 -1.370 1.00 65.02 H new ATOM 0 HA ALA A 43 -11.326 1.453 0.639 1.00 60.00 H new ATOM 0 HB1 ALA A 43 -13.679 2.204 0.564 1.00 33.12 H new ATOM 0 HB2 ALA A 43 -12.558 3.573 0.755 1.00 33.12 H new ATOM 0 HB3 ALA A 43 -13.298 3.243 -0.829 1.00 33.12 H new ATOM 723 N ALA A 44 -11.813 -0.500 -0.811 1.00 23.03 N ATOM 724 CA ALA A 44 -12.104 -1.681 -1.627 1.00 11.14 C ATOM 725 C ALA A 44 -13.308 -2.478 -1.099 1.00 32.13 C ATOM 726 O ALA A 44 -13.491 -2.630 0.112 1.00 11.33 O ATOM 727 CB ALA A 44 -10.870 -2.575 -1.706 1.00 23.43 C ATOM 0 H ALA A 44 -11.303 -0.701 0.049 1.00 23.03 H new ATOM 0 HA ALA A 44 -12.368 -1.331 -2.625 1.00 11.14 H new ATOM 0 HB1 ALA A 44 -11.094 -3.451 -2.314 1.00 23.43 H new ATOM 0 HB2 ALA A 44 -10.047 -2.020 -2.157 1.00 23.43 H new ATOM 0 HB3 ALA A 44 -10.586 -2.893 -0.703 1.00 23.43 H new ATOM 733 N ASP A 45 -14.127 -2.973 -2.028 1.00 53.44 N ATOM 734 CA ASP A 45 -15.256 -3.851 -1.705 1.00 64.51 C ATOM 735 C ASP A 45 -15.167 -5.168 -2.497 1.00 32.44 C ATOM 736 O ASP A 45 -15.412 -5.199 -3.702 1.00 72.54 O ATOM 737 CB ASP A 45 -16.585 -3.143 -2.001 1.00 64.52 C ATOM 738 CG ASP A 45 -16.872 -2.020 -1.022 1.00 62.42 C ATOM 739 OD1 ASP A 45 -17.445 -2.301 0.051 1.00 52.10 O ATOM 740 OD2 ASP A 45 -16.530 -0.854 -1.316 1.00 33.42 O ATOM 0 H ASP A 45 -14.028 -2.778 -3.024 1.00 53.44 H new ATOM 0 HA ASP A 45 -15.212 -4.086 -0.641 1.00 64.51 H new ATOM 0 HB2 ASP A 45 -16.562 -2.741 -3.014 1.00 64.52 H new ATOM 0 HB3 ASP A 45 -17.397 -3.870 -1.965 1.00 64.52 H new ATOM 745 N LEU A 46 -14.784 -6.246 -1.816 1.00 41.12 N ATOM 746 CA LEU A 46 -14.678 -7.571 -2.442 1.00 34.01 C ATOM 747 C LEU A 46 -16.021 -8.036 -3.039 1.00 13.54 C ATOM 748 O LEU A 46 -17.049 -8.032 -2.358 1.00 43.55 O ATOM 749 CB LEU A 46 -14.154 -8.622 -1.437 1.00 45.12 C ATOM 750 CG LEU A 46 -15.054 -8.933 -0.220 1.00 55.21 C ATOM 751 CD1 LEU A 46 -14.558 -10.179 0.506 1.00 3.54 C ATOM 752 CD2 LEU A 46 -15.118 -7.747 0.745 1.00 5.33 C ATOM 0 H LEU A 46 -14.540 -6.232 -0.826 1.00 41.12 H new ATOM 0 HA LEU A 46 -13.962 -7.476 -3.258 1.00 34.01 H new ATOM 0 HB2 LEU A 46 -13.981 -9.552 -1.978 1.00 45.12 H new ATOM 0 HB3 LEU A 46 -13.186 -8.284 -1.066 1.00 45.12 H new ATOM 0 HG LEU A 46 -16.062 -9.118 -0.591 1.00 55.21 H new ATOM 0 HD11 LEU A 46 -15.203 -10.383 1.360 1.00 3.54 H new ATOM 0 HD12 LEU A 46 -14.578 -11.029 -0.176 1.00 3.54 H new ATOM 0 HD13 LEU A 46 -13.538 -10.016 0.853 1.00 3.54 H new ATOM 0 HD21 LEU A 46 -15.759 -7.999 1.590 1.00 5.33 H new ATOM 0 HD22 LEU A 46 -14.116 -7.517 1.106 1.00 5.33 H new ATOM 0 HD23 LEU A 46 -15.525 -6.878 0.227 1.00 5.33 H new ATOM 866 N TYR A 53 -11.000 -0.186 -10.457 1.00 14.23 N ATOM 867 CA TYR A 53 -9.587 0.049 -10.783 1.00 62.31 C ATOM 868 C TYR A 53 -8.982 1.149 -9.900 1.00 53.55 C ATOM 869 O TYR A 53 -9.323 2.327 -10.032 1.00 5.42 O ATOM 870 CB TYR A 53 -9.441 0.426 -12.265 1.00 3.31 C ATOM 871 CG TYR A 53 -10.119 -0.556 -13.208 1.00 14.32 C ATOM 872 CD1 TYR A 53 -9.684 -1.875 -13.304 1.00 63.14 C ATOM 873 CD2 TYR A 53 -11.194 -0.163 -14.004 1.00 0.43 C ATOM 874 CE1 TYR A 53 -10.302 -2.773 -14.154 1.00 61.42 C ATOM 875 CE2 TYR A 53 -11.816 -1.057 -14.856 1.00 13.44 C ATOM 876 CZ TYR A 53 -11.365 -2.358 -14.928 1.00 33.35 C ATOM 877 OH TYR A 53 -11.987 -3.249 -15.776 1.00 31.43 O ATOM 0 HA TYR A 53 -9.042 -0.875 -10.590 1.00 62.31 H new ATOM 0 HB2 TYR A 53 -9.862 1.419 -12.423 1.00 3.31 H new ATOM 0 HB3 TYR A 53 -8.382 0.485 -12.514 1.00 3.31 H new ATOM 0 HD1 TYR A 53 -8.848 -2.203 -12.703 1.00 63.14 H new ATOM 0 HD2 TYR A 53 -11.547 0.857 -13.954 1.00 0.43 H new ATOM 0 HE1 TYR A 53 -9.954 -3.794 -14.212 1.00 61.42 H new ATOM 0 HE2 TYR A 53 -12.651 -0.738 -15.462 1.00 13.44 H new ATOM 0 HH TYR A 53 -12.717 -2.796 -16.248 1.00 31.43 H new ATOM 887 N SER A 54 -8.081 0.758 -8.999 1.00 54.14 N ATOM 888 CA SER A 54 -7.439 1.702 -8.070 1.00 3.42 C ATOM 889 C SER A 54 -6.036 1.223 -7.654 1.00 24.15 C ATOM 890 O SER A 54 -5.505 0.262 -8.215 1.00 31.52 O ATOM 891 CB SER A 54 -8.314 1.897 -6.820 1.00 62.40 C ATOM 892 OG SER A 54 -9.579 2.460 -7.146 1.00 61.45 O ATOM 0 H SER A 54 -7.775 -0.209 -8.889 1.00 54.14 H new ATOM 0 HA SER A 54 -7.331 2.654 -8.590 1.00 3.42 H new ATOM 0 HB2 SER A 54 -8.460 0.937 -6.324 1.00 62.40 H new ATOM 0 HB3 SER A 54 -7.798 2.546 -6.112 1.00 62.40 H new ATOM 0 HG SER A 54 -10.109 2.568 -6.329 1.00 61.45 H new ATOM 898 N ARG A 55 -5.437 1.915 -6.679 1.00 43.34 N ATOM 899 CA ARG A 55 -4.098 1.573 -6.166 1.00 10.03 C ATOM 900 C ARG A 55 -3.792 2.340 -4.865 1.00 43.22 C ATOM 901 O ARG A 55 -4.636 3.088 -4.367 1.00 53.32 O ATOM 902 CB ARG A 55 -3.024 1.886 -7.221 1.00 24.21 C ATOM 903 CG ARG A 55 -3.026 3.340 -7.685 1.00 15.32 C ATOM 904 CD ARG A 55 -2.004 3.587 -8.789 1.00 31.43 C ATOM 905 NE ARG A 55 -2.073 4.955 -9.296 1.00 63.14 N ATOM 906 CZ ARG A 55 -1.612 5.336 -10.454 1.00 54.24 C ATOM 907 NH1 ARG A 55 -1.030 4.500 -11.253 1.00 5.43 N ATOM 908 NH2 ARG A 55 -1.736 6.570 -10.808 1.00 5.15 N ATOM 0 H ARG A 55 -5.860 2.723 -6.223 1.00 43.34 H new ATOM 0 HA ARG A 55 -4.085 0.505 -5.949 1.00 10.03 H new ATOM 0 HB2 ARG A 55 -2.043 1.646 -6.811 1.00 24.21 H new ATOM 0 HB3 ARG A 55 -3.175 1.238 -8.084 1.00 24.21 H new ATOM 0 HG2 ARG A 55 -4.020 3.605 -8.045 1.00 15.32 H new ATOM 0 HG3 ARG A 55 -2.810 3.991 -6.838 1.00 15.32 H new ATOM 0 HD2 ARG A 55 -1.002 3.391 -8.407 1.00 31.43 H new ATOM 0 HD3 ARG A 55 -2.176 2.887 -9.607 1.00 31.43 H new ATOM 0 HE ARG A 55 -2.512 5.660 -8.704 1.00 63.14 H new ATOM 0 HH11 ARG A 55 -0.925 3.523 -10.980 1.00 5.43 H new ATOM 0 HH12 ARG A 55 -0.676 4.819 -12.155 1.00 5.43 H new ATOM 0 HH21 ARG A 55 -2.191 7.236 -10.184 1.00 5.15 H new ATOM 0 HH22 ARG A 55 -1.379 6.880 -11.712 1.00 5.15 H new ATOM 922 N ALA A 56 -2.585 2.159 -4.324 1.00 13.33 N ATOM 923 CA ALA A 56 -2.186 2.827 -3.078 1.00 4.52 C ATOM 924 C ALA A 56 -0.763 3.396 -3.169 1.00 44.22 C ATOM 925 O ALA A 56 0.077 2.883 -3.908 1.00 71.31 O ATOM 926 CB ALA A 56 -2.299 1.855 -1.909 1.00 3.34 C ATOM 0 H ALA A 56 -1.867 1.557 -4.726 1.00 13.33 H new ATOM 0 HA ALA A 56 -2.862 3.666 -2.914 1.00 4.52 H new ATOM 0 HB1 ALA A 56 -2.002 2.357 -0.988 1.00 3.34 H new ATOM 0 HB2 ALA A 56 -3.330 1.513 -1.819 1.00 3.34 H new ATOM 0 HB3 ALA A 56 -1.646 0.999 -2.083 1.00 3.34 H new ATOM 932 N TYR A 57 -0.497 4.462 -2.412 1.00 22.51 N ATOM 933 CA TYR A 57 0.817 5.121 -2.429 1.00 45.41 C ATOM 934 C TYR A 57 1.496 5.071 -1.050 1.00 55.13 C ATOM 935 O TYR A 57 0.832 5.120 -0.011 1.00 53.52 O ATOM 936 CB TYR A 57 0.678 6.581 -2.877 1.00 35.15 C ATOM 937 CG TYR A 57 0.222 6.752 -4.311 1.00 31.03 C ATOM 938 CD1 TYR A 57 -1.119 6.620 -4.660 1.00 61.01 C ATOM 939 CD2 TYR A 57 1.133 7.056 -5.314 1.00 24.24 C ATOM 940 CE1 TYR A 57 -1.534 6.790 -5.966 1.00 11.54 C ATOM 941 CE2 TYR A 57 0.725 7.224 -6.620 1.00 64.34 C ATOM 942 CZ TYR A 57 -0.608 7.089 -6.940 1.00 52.14 C ATOM 943 OH TYR A 57 -1.017 7.265 -8.239 1.00 71.23 O ATOM 0 H TYR A 57 -1.172 4.890 -1.778 1.00 22.51 H new ATOM 0 HA TYR A 57 1.442 4.578 -3.138 1.00 45.41 H new ATOM 0 HB2 TYR A 57 -0.031 7.084 -2.220 1.00 35.15 H new ATOM 0 HB3 TYR A 57 1.639 7.080 -2.751 1.00 35.15 H new ATOM 0 HD1 TYR A 57 -1.846 6.381 -3.898 1.00 61.01 H new ATOM 0 HD2 TYR A 57 2.179 7.163 -5.067 1.00 24.24 H new ATOM 0 HE1 TYR A 57 -2.578 6.689 -6.222 1.00 11.54 H new ATOM 0 HE2 TYR A 57 1.447 7.460 -7.388 1.00 64.34 H new ATOM 0 HH TYR A 57 -0.241 7.471 -8.801 1.00 71.23 H new ATOM 953 N ILE A 58 2.824 4.994 -1.052 1.00 12.25 N ATOM 954 CA ILE A 58 3.611 4.943 0.184 1.00 51.11 C ATOM 955 C ILE A 58 4.718 6.014 0.164 1.00 75.31 C ATOM 956 O ILE A 58 5.234 6.363 -0.898 1.00 11.41 O ATOM 957 CB ILE A 58 4.259 3.543 0.370 1.00 75.34 C ATOM 958 CG1 ILE A 58 3.197 2.433 0.273 1.00 2.15 C ATOM 959 CG2 ILE A 58 4.996 3.463 1.708 1.00 63.42 C ATOM 960 CD1 ILE A 58 3.769 1.031 0.325 1.00 63.51 C ATOM 0 H ILE A 58 3.385 4.965 -1.903 1.00 12.25 H new ATOM 0 HA ILE A 58 2.934 5.136 1.016 1.00 51.11 H new ATOM 0 HB ILE A 58 4.983 3.395 -0.431 1.00 75.34 H new ATOM 0 HG12 ILE A 58 2.483 2.554 1.088 1.00 2.15 H new ATOM 0 HG13 ILE A 58 2.642 2.554 -0.657 1.00 2.15 H new ATOM 0 HG21 ILE A 58 5.443 2.475 1.819 1.00 63.42 H new ATOM 0 HG22 ILE A 58 5.779 4.221 1.738 1.00 63.42 H new ATOM 0 HG23 ILE A 58 4.292 3.636 2.522 1.00 63.42 H new ATOM 0 HD11 ILE A 58 2.960 0.305 0.251 1.00 63.51 H new ATOM 0 HD12 ILE A 58 4.461 0.889 -0.505 1.00 63.51 H new ATOM 0 HD13 ILE A 58 4.299 0.889 1.267 1.00 63.51 H new ATOM 972 N ASN A 59 5.067 6.545 1.334 1.00 60.50 N ATOM 973 CA ASN A 59 6.160 7.518 1.448 1.00 21.40 C ATOM 974 C ASN A 59 7.219 7.033 2.450 1.00 33.44 C ATOM 975 O ASN A 59 6.893 6.432 3.477 1.00 54.11 O ATOM 976 CB ASN A 59 5.615 8.893 1.866 1.00 43.41 C ATOM 977 CG ASN A 59 6.706 9.949 1.972 1.00 14.04 C ATOM 978 OD1 ASN A 59 7.730 9.879 1.297 1.00 65.01 O ATOM 979 ND2 ASN A 59 6.493 10.946 2.807 1.00 71.55 N ATOM 0 H ASN A 59 4.611 6.320 2.218 1.00 60.50 H new ATOM 0 HA ASN A 59 6.633 7.615 0.471 1.00 21.40 H new ATOM 0 HB2 ASN A 59 4.868 9.219 1.142 1.00 43.41 H new ATOM 0 HB3 ASN A 59 5.108 8.802 2.827 1.00 43.41 H new ATOM 0 HD21 ASN A 59 7.188 11.686 2.906 1.00 71.55 H new ATOM 0 HD22 ASN A 59 5.633 10.978 3.355 1.00 71.55 H new ATOM 986 N PHE A 60 8.487 7.298 2.150 1.00 4.32 N ATOM 987 CA PHE A 60 9.600 6.827 2.982 1.00 2.35 C ATOM 988 C PHE A 60 10.322 7.980 3.688 1.00 51.14 C ATOM 989 O PHE A 60 10.536 9.045 3.113 1.00 14.33 O ATOM 990 CB PHE A 60 10.599 6.025 2.132 1.00 44.04 C ATOM 991 CG PHE A 60 10.160 4.608 1.863 1.00 2.03 C ATOM 992 CD1 PHE A 60 9.165 4.331 0.936 1.00 23.54 C ATOM 993 CD2 PHE A 60 10.743 3.554 2.549 1.00 42.22 C ATOM 994 CE1 PHE A 60 8.764 3.029 0.700 1.00 60.40 C ATOM 995 CE2 PHE A 60 10.345 2.253 2.316 1.00 23.41 C ATOM 996 CZ PHE A 60 9.355 1.989 1.389 1.00 40.32 C ATOM 0 H PHE A 60 8.775 7.838 1.334 1.00 4.32 H new ATOM 0 HA PHE A 60 9.177 6.182 3.752 1.00 2.35 H new ATOM 0 HB2 PHE A 60 10.748 6.537 1.181 1.00 44.04 H new ATOM 0 HB3 PHE A 60 11.564 6.008 2.639 1.00 44.04 H new ATOM 0 HD1 PHE A 60 8.699 5.140 0.394 1.00 23.54 H new ATOM 0 HD2 PHE A 60 11.518 3.753 3.274 1.00 42.22 H new ATOM 0 HE1 PHE A 60 7.988 2.826 -0.023 1.00 60.40 H new ATOM 0 HE2 PHE A 60 10.807 1.441 2.858 1.00 23.41 H new ATOM 0 HZ PHE A 60 9.044 0.971 1.204 1.00 40.32 H new ATOM 1006 N ARG A 61 10.693 7.745 4.945 1.00 70.41 N ATOM 1007 CA ARG A 61 11.456 8.716 5.740 1.00 41.41 C ATOM 1008 C ARG A 61 12.907 8.251 5.940 1.00 64.15 C ATOM 1009 O ARG A 61 13.680 8.885 6.660 1.00 52.12 O ATOM 1010 CB ARG A 61 10.778 8.925 7.102 1.00 12.32 C ATOM 1011 CG ARG A 61 9.437 9.650 7.016 1.00 22.42 C ATOM 1012 CD ARG A 61 9.616 11.107 6.602 1.00 75.25 C ATOM 1013 NE ARG A 61 10.427 11.850 7.566 1.00 25.33 N ATOM 1014 CZ ARG A 61 11.278 12.788 7.246 1.00 40.44 C ATOM 1015 NH1 ARG A 61 11.429 13.152 6.013 1.00 63.10 N ATOM 1016 NH2 ARG A 61 11.978 13.367 8.160 1.00 21.14 N ATOM 0 H ARG A 61 10.476 6.882 5.443 1.00 70.41 H new ATOM 0 HA ARG A 61 11.475 9.661 5.197 1.00 41.41 H new ATOM 0 HB2 ARG A 61 10.627 7.955 7.575 1.00 12.32 H new ATOM 0 HB3 ARG A 61 11.447 9.493 7.748 1.00 12.32 H new ATOM 0 HG2 ARG A 61 8.793 9.143 6.297 1.00 22.42 H new ATOM 0 HG3 ARG A 61 8.935 9.604 7.982 1.00 22.42 H new ATOM 0 HD2 ARG A 61 10.088 11.151 5.620 1.00 75.25 H new ATOM 0 HD3 ARG A 61 8.639 11.581 6.508 1.00 75.25 H new ATOM 0 HE ARG A 61 10.321 11.620 8.554 1.00 25.33 H new ATOM 0 HH11 ARG A 61 10.880 12.705 5.278 1.00 63.10 H new ATOM 0 HH12 ARG A 61 12.097 13.886 5.776 1.00 63.10 H new ATOM 0 HH21 ARG A 61 11.868 13.093 9.136 1.00 21.14 H new ATOM 0 HH22 ARG A 61 12.642 14.099 7.907 1.00 21.14 H new ATOM 1030 N ASN A 62 13.269 7.145 5.290 1.00 34.25 N ATOM 1031 CA ASN A 62 14.603 6.556 5.437 1.00 63.42 C ATOM 1032 C ASN A 62 14.896 5.565 4.288 1.00 3.41 C ATOM 1033 O ASN A 62 14.075 4.700 3.984 1.00 24.02 O ATOM 1034 CB ASN A 62 14.711 5.857 6.803 1.00 42.41 C ATOM 1035 CG ASN A 62 16.111 5.358 7.092 1.00 42.34 C ATOM 1036 OD1 ASN A 62 16.965 6.100 7.569 1.00 52.33 O ATOM 1037 ND2 ASN A 62 16.351 4.093 6.835 1.00 11.41 N ATOM 0 H ASN A 62 12.655 6.636 4.654 1.00 34.25 H new ATOM 0 HA ASN A 62 15.348 7.350 5.386 1.00 63.42 H new ATOM 0 HB2 ASN A 62 14.407 6.551 7.587 1.00 42.41 H new ATOM 0 HB3 ASN A 62 14.016 5.018 6.833 1.00 42.41 H new ATOM 0 HD21 ASN A 62 17.271 3.698 7.032 1.00 11.41 H new ATOM 0 HD22 ASN A 62 15.618 3.505 6.439 1.00 11.41 H new ATOM 1044 N PRO A 63 16.074 5.680 3.632 1.00 74.51 N ATOM 1045 CA PRO A 63 16.418 4.855 2.450 1.00 60.11 C ATOM 1046 C PRO A 63 16.590 3.348 2.751 1.00 61.33 C ATOM 1047 O PRO A 63 16.259 2.506 1.913 1.00 12.22 O ATOM 1048 CB PRO A 63 17.744 5.466 1.966 1.00 42.21 C ATOM 1049 CG PRO A 63 18.328 6.115 3.176 1.00 41.24 C ATOM 1050 CD PRO A 63 17.157 6.626 3.977 1.00 13.24 C ATOM 0 HA PRO A 63 15.614 4.877 1.715 1.00 60.11 H new ATOM 0 HB2 PRO A 63 18.410 4.701 1.567 1.00 42.21 H new ATOM 0 HB3 PRO A 63 17.578 6.191 1.169 1.00 42.21 H new ATOM 0 HG2 PRO A 63 18.917 5.403 3.755 1.00 41.24 H new ATOM 0 HG3 PRO A 63 18.996 6.930 2.898 1.00 41.24 H new ATOM 0 HD2 PRO A 63 17.369 6.623 5.046 1.00 13.24 H new ATOM 0 HD3 PRO A 63 16.899 7.650 3.706 1.00 13.24 H new ATOM 1058 N ASP A 64 17.105 3.010 3.934 1.00 34.03 N ATOM 1059 CA ASP A 64 17.350 1.604 4.300 1.00 20.50 C ATOM 1060 C ASP A 64 16.071 0.749 4.193 1.00 53.52 C ATOM 1061 O ASP A 64 16.105 -0.387 3.714 1.00 40.40 O ATOM 1062 CB ASP A 64 17.905 1.521 5.724 1.00 52.30 C ATOM 1063 CG ASP A 64 19.170 2.339 5.906 1.00 61.12 C ATOM 1064 OD1 ASP A 64 19.064 3.567 6.090 1.00 42.51 O ATOM 1065 OD2 ASP A 64 20.275 1.759 5.873 1.00 65.24 O ATOM 0 H ASP A 64 17.361 3.683 4.656 1.00 34.03 H new ATOM 0 HA ASP A 64 18.079 1.206 3.594 1.00 20.50 H new ATOM 0 HB2 ASP A 64 17.147 1.869 6.426 1.00 52.30 H new ATOM 0 HB3 ASP A 64 18.112 0.479 5.969 1.00 52.30 H new ATOM 1070 N ASP A 65 14.948 1.314 4.632 1.00 31.24 N ATOM 1071 CA ASP A 65 13.659 0.613 4.627 1.00 41.42 C ATOM 1072 C ASP A 65 13.237 0.186 3.211 1.00 32.32 C ATOM 1073 O ASP A 65 12.566 -0.834 3.040 1.00 11.11 O ATOM 1074 CB ASP A 65 12.589 1.510 5.255 1.00 50.30 C ATOM 1075 CG ASP A 65 12.918 1.856 6.695 1.00 21.34 C ATOM 1076 OD1 ASP A 65 13.929 2.561 6.924 1.00 15.14 O ATOM 1077 OD2 ASP A 65 12.189 1.413 7.604 1.00 51.44 O ATOM 0 H ASP A 65 14.902 2.264 5.000 1.00 31.24 H new ATOM 0 HA ASP A 65 13.769 -0.298 5.215 1.00 41.42 H new ATOM 0 HB2 ASP A 65 12.496 2.427 4.673 1.00 50.30 H new ATOM 0 HB3 ASP A 65 11.623 1.007 5.214 1.00 50.30 H new ATOM 1082 N ILE A 66 13.647 0.959 2.203 1.00 73.24 N ATOM 1083 CA ILE A 66 13.317 0.656 0.805 1.00 72.42 C ATOM 1084 C ILE A 66 13.854 -0.725 0.392 1.00 60.02 C ATOM 1085 O ILE A 66 13.089 -1.617 0.021 1.00 13.11 O ATOM 1086 CB ILE A 66 13.885 1.737 -0.157 1.00 11.04 C ATOM 1087 CG1 ILE A 66 13.324 3.124 0.203 1.00 63.33 C ATOM 1088 CG2 ILE A 66 13.570 1.388 -1.616 1.00 42.24 C ATOM 1089 CD1 ILE A 66 13.879 4.254 -0.644 1.00 73.52 C ATOM 0 H ILE A 66 14.209 1.801 2.327 1.00 73.24 H new ATOM 0 HA ILE A 66 12.230 0.651 0.730 1.00 72.42 H new ATOM 0 HB ILE A 66 14.969 1.762 -0.042 1.00 11.04 H new ATOM 0 HG12 ILE A 66 12.239 3.104 0.098 1.00 63.33 H new ATOM 0 HG13 ILE A 66 13.539 3.330 1.251 1.00 63.33 H new ATOM 0 HG21 ILE A 66 13.977 2.159 -2.271 1.00 42.24 H new ATOM 0 HG22 ILE A 66 14.018 0.426 -1.865 1.00 42.24 H new ATOM 0 HG23 ILE A 66 12.490 1.331 -1.751 1.00 42.24 H new ATOM 0 HD11 ILE A 66 13.434 5.198 -0.328 1.00 73.52 H new ATOM 0 HD12 ILE A 66 14.961 4.303 -0.521 1.00 73.52 H new ATOM 0 HD13 ILE A 66 13.641 4.074 -1.692 1.00 73.52 H new ATOM 1101 N LEU A 67 15.173 -0.900 0.476 1.00 75.13 N ATOM 1102 CA LEU A 67 15.809 -2.171 0.105 1.00 24.13 C ATOM 1103 C LEU A 67 15.469 -3.290 1.105 1.00 10.41 C ATOM 1104 O LEU A 67 15.425 -4.471 0.744 1.00 43.31 O ATOM 1105 CB LEU A 67 17.336 -1.986 -0.039 1.00 10.43 C ATOM 1106 CG LEU A 67 18.070 -1.317 1.148 1.00 44.43 C ATOM 1107 CD1 LEU A 67 18.304 -2.298 2.299 1.00 35.44 C ATOM 1108 CD2 LEU A 67 19.394 -0.710 0.686 1.00 32.04 C ATOM 0 H LEU A 67 15.823 -0.182 0.796 1.00 75.13 H new ATOM 0 HA LEU A 67 15.410 -2.479 -0.861 1.00 24.13 H new ATOM 0 HB2 LEU A 67 17.783 -2.966 -0.207 1.00 10.43 H new ATOM 0 HB3 LEU A 67 17.524 -1.392 -0.934 1.00 10.43 H new ATOM 0 HG LEU A 67 17.427 -0.520 1.522 1.00 44.43 H new ATOM 0 HD11 LEU A 67 18.822 -1.789 3.112 1.00 35.44 H new ATOM 0 HD12 LEU A 67 17.346 -2.673 2.658 1.00 35.44 H new ATOM 0 HD13 LEU A 67 18.912 -3.132 1.948 1.00 35.44 H new ATOM 0 HD21 LEU A 67 19.896 -0.244 1.534 1.00 32.04 H new ATOM 0 HD22 LEU A 67 20.029 -1.494 0.274 1.00 32.04 H new ATOM 0 HD23 LEU A 67 19.202 0.042 -0.080 1.00 32.04 H new ATOM 1120 N LEU A 68 15.219 -2.905 2.355 1.00 23.53 N ATOM 1121 CA LEU A 68 14.837 -3.851 3.411 1.00 11.12 C ATOM 1122 C LEU A 68 13.478 -4.510 3.121 1.00 5.33 C ATOM 1123 O LEU A 68 13.390 -5.717 2.889 1.00 45.22 O ATOM 1124 CB LEU A 68 14.784 -3.122 4.765 1.00 13.51 C ATOM 1125 CG LEU A 68 14.122 -3.903 5.917 1.00 21.11 C ATOM 1126 CD1 LEU A 68 14.896 -5.184 6.228 1.00 0.33 C ATOM 1127 CD2 LEU A 68 13.994 -3.023 7.159 1.00 22.31 C ATOM 0 H LEU A 68 15.274 -1.935 2.667 1.00 23.53 H new ATOM 0 HA LEU A 68 15.589 -4.639 3.443 1.00 11.12 H new ATOM 0 HB2 LEU A 68 15.802 -2.868 5.060 1.00 13.51 H new ATOM 0 HB3 LEU A 68 14.247 -2.183 4.631 1.00 13.51 H new ATOM 0 HG LEU A 68 13.120 -4.191 5.600 1.00 21.11 H new ATOM 0 HD11 LEU A 68 14.407 -5.715 7.045 1.00 0.33 H new ATOM 0 HD12 LEU A 68 14.918 -5.820 5.343 1.00 0.33 H new ATOM 0 HD13 LEU A 68 15.916 -4.931 6.519 1.00 0.33 H new ATOM 0 HD21 LEU A 68 13.524 -3.592 7.961 1.00 22.31 H new ATOM 0 HD22 LEU A 68 14.984 -2.696 7.477 1.00 22.31 H new ATOM 0 HD23 LEU A 68 13.382 -2.152 6.926 1.00 22.31 H new ATOM 1139 N PHE A 69 12.421 -3.704 3.133 1.00 63.11 N ATOM 1140 CA PHE A 69 11.058 -4.211 2.963 1.00 61.11 C ATOM 1141 C PHE A 69 10.812 -4.768 1.553 1.00 13.34 C ATOM 1142 O PHE A 69 10.040 -5.713 1.385 1.00 21.21 O ATOM 1143 CB PHE A 69 10.042 -3.115 3.311 1.00 13.11 C ATOM 1144 CG PHE A 69 9.814 -2.971 4.796 1.00 60.53 C ATOM 1145 CD1 PHE A 69 10.590 -2.107 5.559 1.00 51.14 C ATOM 1146 CD2 PHE A 69 8.832 -3.718 5.430 1.00 63.14 C ATOM 1147 CE1 PHE A 69 10.389 -1.995 6.921 1.00 2.33 C ATOM 1148 CE2 PHE A 69 8.625 -3.607 6.790 1.00 0.21 C ATOM 1149 CZ PHE A 69 9.405 -2.747 7.537 1.00 62.35 C ATOM 0 H PHE A 69 12.480 -2.693 3.259 1.00 63.11 H new ATOM 0 HA PHE A 69 10.928 -5.046 3.651 1.00 61.11 H new ATOM 0 HB2 PHE A 69 10.390 -2.164 2.909 1.00 13.11 H new ATOM 0 HB3 PHE A 69 9.093 -3.339 2.824 1.00 13.11 H new ATOM 0 HD1 PHE A 69 11.358 -1.517 5.082 1.00 51.14 H new ATOM 0 HD2 PHE A 69 8.221 -4.395 4.852 1.00 63.14 H new ATOM 0 HE1 PHE A 69 10.999 -1.321 7.504 1.00 2.33 H new ATOM 0 HE2 PHE A 69 7.854 -4.192 7.269 1.00 0.21 H new ATOM 0 HZ PHE A 69 9.247 -2.661 8.602 1.00 62.35 H new ATOM 1159 N ARG A 70 11.476 -4.203 0.546 1.00 14.22 N ATOM 1160 CA ARG A 70 11.353 -4.714 -0.826 1.00 65.51 C ATOM 1161 C ARG A 70 11.760 -6.196 -0.888 1.00 65.15 C ATOM 1162 O ARG A 70 11.049 -7.018 -1.460 1.00 31.33 O ATOM 1163 CB ARG A 70 12.202 -3.870 -1.805 1.00 30.22 C ATOM 1164 CG ARG A 70 12.005 -4.211 -3.290 1.00 23.14 C ATOM 1165 CD ARG A 70 12.856 -5.397 -3.743 1.00 33.00 C ATOM 1166 NE ARG A 70 12.502 -5.849 -5.088 1.00 34.33 N ATOM 1167 CZ ARG A 70 13.098 -6.830 -5.712 1.00 4.22 C ATOM 1168 NH1 ARG A 70 14.116 -7.434 -5.179 1.00 33.34 N ATOM 1169 NH2 ARG A 70 12.673 -7.204 -6.873 1.00 41.00 N ATOM 0 H ARG A 70 12.098 -3.401 0.647 1.00 14.22 H new ATOM 0 HA ARG A 70 10.309 -4.633 -1.129 1.00 65.51 H new ATOM 0 HB2 ARG A 70 11.965 -2.817 -1.654 1.00 30.22 H new ATOM 0 HB3 ARG A 70 13.255 -3.999 -1.554 1.00 30.22 H new ATOM 0 HG2 ARG A 70 10.953 -4.434 -3.470 1.00 23.14 H new ATOM 0 HG3 ARG A 70 12.254 -3.339 -3.895 1.00 23.14 H new ATOM 0 HD2 ARG A 70 13.909 -5.116 -3.721 1.00 33.00 H new ATOM 0 HD3 ARG A 70 12.732 -6.221 -3.040 1.00 33.00 H new ATOM 0 HE ARG A 70 11.742 -5.368 -5.569 1.00 34.33 H new ATOM 0 HH11 ARG A 70 14.459 -7.144 -4.263 1.00 33.34 H new ATOM 0 HH12 ARG A 70 14.573 -8.199 -5.676 1.00 33.34 H new ATOM 0 HH21 ARG A 70 11.875 -6.734 -7.300 1.00 41.00 H new ATOM 0 HH22 ARG A 70 13.136 -7.969 -7.363 1.00 41.00 H new ATOM 1183 N ASP A 71 12.895 -6.533 -0.274 1.00 24.32 N ATOM 1184 CA ASP A 71 13.419 -7.906 -0.298 1.00 73.14 C ATOM 1185 C ASP A 71 12.413 -8.930 0.263 1.00 64.31 C ATOM 1186 O ASP A 71 12.270 -10.034 -0.271 1.00 72.14 O ATOM 1187 CB ASP A 71 14.727 -7.979 0.500 1.00 22.31 C ATOM 1188 CG ASP A 71 15.301 -9.389 0.545 1.00 75.13 C ATOM 1189 OD1 ASP A 71 15.854 -9.839 -0.480 1.00 21.53 O ATOM 1190 OD2 ASP A 71 15.173 -10.061 1.593 1.00 44.30 O ATOM 0 H ASP A 71 13.473 -5.874 0.248 1.00 24.32 H new ATOM 0 HA ASP A 71 13.600 -8.163 -1.342 1.00 73.14 H new ATOM 0 HB2 ASP A 71 15.459 -7.305 0.055 1.00 22.31 H new ATOM 0 HB3 ASP A 71 14.549 -7.629 1.517 1.00 22.31 H new ATOM 1195 N ARG A 72 11.729 -8.560 1.343 1.00 42.13 N ATOM 1196 CA ARG A 72 10.815 -9.479 2.038 1.00 44.54 C ATOM 1197 C ARG A 72 9.360 -9.368 1.541 1.00 5.31 C ATOM 1198 O ARG A 72 8.552 -10.269 1.779 1.00 20.32 O ATOM 1199 CB ARG A 72 10.885 -9.234 3.556 1.00 34.12 C ATOM 1200 CG ARG A 72 10.670 -7.780 3.964 1.00 31.05 C ATOM 1201 CD ARG A 72 10.957 -7.551 5.445 1.00 42.21 C ATOM 1202 NE ARG A 72 9.994 -8.223 6.318 1.00 73.22 N ATOM 1203 CZ ARG A 72 10.210 -8.492 7.580 1.00 10.02 C ATOM 1204 NH1 ARG A 72 11.379 -8.294 8.110 1.00 43.13 N ATOM 1205 NH2 ARG A 72 9.265 -8.997 8.300 1.00 45.33 N ATOM 0 H ARG A 72 11.787 -7.631 1.760 1.00 42.13 H new ATOM 0 HA ARG A 72 11.143 -10.493 1.811 1.00 44.54 H new ATOM 0 HB2 ARG A 72 10.134 -9.853 4.048 1.00 34.12 H new ATOM 0 HB3 ARG A 72 11.858 -9.562 3.921 1.00 34.12 H new ATOM 0 HG2 ARG A 72 11.316 -7.137 3.366 1.00 31.05 H new ATOM 0 HG3 ARG A 72 9.642 -7.491 3.745 1.00 31.05 H new ATOM 0 HD2 ARG A 72 11.961 -7.908 5.676 1.00 42.21 H new ATOM 0 HD3 ARG A 72 10.944 -6.481 5.652 1.00 42.21 H new ATOM 0 HE ARG A 72 9.098 -8.499 5.917 1.00 73.22 H new ATOM 0 HH11 ARG A 72 12.141 -7.925 7.541 1.00 43.13 H new ATOM 0 HH12 ARG A 72 11.535 -8.508 9.095 1.00 43.13 H new ATOM 0 HH21 ARG A 72 8.353 -9.185 7.885 1.00 45.33 H new ATOM 0 HH22 ARG A 72 9.431 -9.208 9.284 1.00 45.33 H new ATOM 1219 N PHE A 73 9.022 -8.281 0.848 1.00 45.03 N ATOM 1220 CA PHE A 73 7.646 -8.079 0.370 1.00 74.04 C ATOM 1221 C PHE A 73 7.498 -8.251 -1.154 1.00 21.43 C ATOM 1222 O PHE A 73 6.678 -9.050 -1.591 1.00 0.13 O ATOM 1223 CB PHE A 73 7.109 -6.704 0.809 1.00 51.23 C ATOM 1224 CG PHE A 73 6.555 -6.698 2.217 1.00 53.22 C ATOM 1225 CD1 PHE A 73 7.377 -6.471 3.313 1.00 75.20 C ATOM 1226 CD2 PHE A 73 5.206 -6.933 2.438 1.00 75.31 C ATOM 1227 CE1 PHE A 73 6.860 -6.478 4.595 1.00 34.02 C ATOM 1228 CE2 PHE A 73 4.687 -6.944 3.718 1.00 44.13 C ATOM 1229 CZ PHE A 73 5.515 -6.715 4.799 1.00 75.13 C ATOM 0 H PHE A 73 9.670 -7.532 0.605 1.00 45.03 H new ATOM 0 HA PHE A 73 7.047 -8.864 0.832 1.00 74.04 H new ATOM 0 HB2 PHE A 73 7.911 -5.969 0.739 1.00 51.23 H new ATOM 0 HB3 PHE A 73 6.327 -6.390 0.117 1.00 51.23 H new ATOM 0 HD1 PHE A 73 8.431 -6.287 3.162 1.00 75.20 H new ATOM 0 HD2 PHE A 73 4.552 -7.110 1.597 1.00 75.31 H new ATOM 0 HE1 PHE A 73 7.509 -6.298 5.439 1.00 34.02 H new ATOM 0 HE2 PHE A 73 3.635 -7.132 3.873 1.00 44.13 H new ATOM 0 HZ PHE A 73 5.112 -6.721 5.801 1.00 75.13 H new ATOM 1239 N ASP A 74 8.310 -7.536 -1.947 1.00 15.45 N ATOM 1240 CA ASP A 74 8.131 -7.441 -3.420 1.00 51.34 C ATOM 1241 C ASP A 74 7.520 -8.717 -4.048 1.00 42.44 C ATOM 1242 O ASP A 74 8.202 -9.727 -4.237 1.00 40.23 O ATOM 1243 CB ASP A 74 9.476 -7.126 -4.085 1.00 31.10 C ATOM 1244 CG ASP A 74 9.344 -6.879 -5.578 1.00 51.41 C ATOM 1245 OD1 ASP A 74 8.834 -5.807 -5.961 1.00 14.53 O ATOM 1246 OD2 ASP A 74 9.750 -7.750 -6.373 1.00 11.04 O ATOM 0 H ASP A 74 9.108 -7.006 -1.596 1.00 15.45 H new ATOM 0 HA ASP A 74 7.419 -6.635 -3.598 1.00 51.34 H new ATOM 0 HB2 ASP A 74 9.914 -6.247 -3.612 1.00 31.10 H new ATOM 0 HB3 ASP A 74 10.164 -7.955 -3.917 1.00 31.10 H new ATOM 1251 N GLY A 75 6.224 -8.652 -4.366 1.00 31.12 N ATOM 1252 CA GLY A 75 5.501 -9.823 -4.863 1.00 21.22 C ATOM 1253 C GLY A 75 4.782 -10.570 -3.742 1.00 13.03 C ATOM 1254 O GLY A 75 4.580 -11.784 -3.812 1.00 52.34 O ATOM 0 H GLY A 75 5.658 -7.807 -4.289 1.00 31.12 H new ATOM 0 HA2 GLY A 75 4.775 -9.509 -5.613 1.00 21.22 H new ATOM 0 HA3 GLY A 75 6.200 -10.497 -5.358 1.00 21.22 H new ATOM 1258 N TYR A 76 4.388 -9.829 -2.711 1.00 5.45 N ATOM 1259 CA TYR A 76 3.786 -10.394 -1.501 1.00 0.53 C ATOM 1260 C TYR A 76 2.293 -10.712 -1.693 1.00 1.24 C ATOM 1261 O TYR A 76 1.466 -9.816 -1.848 1.00 1.41 O ATOM 1262 CB TYR A 76 4.027 -9.409 -0.341 1.00 74.42 C ATOM 1263 CG TYR A 76 2.997 -9.413 0.772 1.00 12.43 C ATOM 1264 CD1 TYR A 76 2.872 -10.483 1.654 1.00 14.23 C ATOM 1265 CD2 TYR A 76 2.162 -8.319 0.947 1.00 74.15 C ATOM 1266 CE1 TYR A 76 1.939 -10.456 2.675 1.00 70.44 C ATOM 1267 CE2 TYR A 76 1.237 -8.280 1.961 1.00 1.55 C ATOM 1268 CZ TYR A 76 1.124 -9.350 2.825 1.00 34.03 C ATOM 1269 OH TYR A 76 0.202 -9.312 3.846 1.00 33.34 O ATOM 0 H TYR A 76 4.477 -8.813 -2.688 1.00 5.45 H new ATOM 0 HA TYR A 76 4.257 -11.350 -1.270 1.00 0.53 H new ATOM 0 HB2 TYR A 76 5.002 -9.627 0.095 1.00 74.42 H new ATOM 0 HB3 TYR A 76 4.080 -8.402 -0.754 1.00 74.42 H new ATOM 0 HD1 TYR A 76 3.512 -11.345 1.540 1.00 14.23 H new ATOM 0 HD2 TYR A 76 2.241 -7.480 0.271 1.00 74.15 H new ATOM 0 HE1 TYR A 76 1.848 -11.294 3.350 1.00 70.44 H new ATOM 0 HE2 TYR A 76 0.601 -7.416 2.082 1.00 1.55 H new ATOM 0 HH TYR A 76 -0.693 -9.481 3.485 1.00 33.34 H new ATOM 1279 N ILE A 77 1.969 -12.003 -1.691 1.00 50.25 N ATOM 1280 CA ILE A 77 0.587 -12.468 -1.834 1.00 33.42 C ATOM 1281 C ILE A 77 -0.154 -12.463 -0.485 1.00 51.12 C ATOM 1282 O ILE A 77 0.092 -13.313 0.372 1.00 35.24 O ATOM 1283 CB ILE A 77 0.542 -13.903 -2.429 1.00 24.01 C ATOM 1284 CG1 ILE A 77 1.159 -13.931 -3.841 1.00 22.12 C ATOM 1285 CG2 ILE A 77 -0.891 -14.440 -2.454 1.00 60.33 C ATOM 1286 CD1 ILE A 77 0.389 -13.130 -4.867 1.00 52.25 C ATOM 0 H ILE A 77 2.651 -12.755 -1.591 1.00 50.25 H new ATOM 0 HA ILE A 77 0.090 -11.776 -2.513 1.00 33.42 H new ATOM 0 HB ILE A 77 1.136 -14.552 -1.785 1.00 24.01 H new ATOM 0 HG12 ILE A 77 2.178 -13.549 -3.788 1.00 22.12 H new ATOM 0 HG13 ILE A 77 1.223 -14.966 -4.177 1.00 22.12 H new ATOM 0 HG21 ILE A 77 -0.895 -15.446 -2.875 1.00 60.33 H new ATOM 0 HG22 ILE A 77 -1.286 -14.470 -1.439 1.00 60.33 H new ATOM 0 HG23 ILE A 77 -1.513 -13.788 -3.067 1.00 60.33 H new ATOM 0 HD11 ILE A 77 0.888 -13.201 -5.833 1.00 52.25 H new ATOM 0 HD12 ILE A 77 -0.623 -13.525 -4.952 1.00 52.25 H new ATOM 0 HD13 ILE A 77 0.347 -12.086 -4.556 1.00 52.25 H new ATOM 1298 N PHE A 78 -1.042 -11.494 -0.293 1.00 41.44 N ATOM 1299 CA PHE A 78 -1.918 -11.475 0.888 1.00 22.34 C ATOM 1300 C PHE A 78 -3.235 -12.204 0.584 1.00 73.32 C ATOM 1301 O PHE A 78 -3.793 -12.053 -0.501 1.00 11.32 O ATOM 1302 CB PHE A 78 -2.195 -10.030 1.334 1.00 4.34 C ATOM 1303 CG PHE A 78 -3.084 -9.930 2.554 1.00 75.32 C ATOM 1304 CD1 PHE A 78 -2.655 -10.405 3.787 1.00 44.33 C ATOM 1305 CD2 PHE A 78 -4.348 -9.364 2.469 1.00 54.14 C ATOM 1306 CE1 PHE A 78 -3.467 -10.318 4.902 1.00 52.00 C ATOM 1307 CE2 PHE A 78 -5.163 -9.275 3.582 1.00 75.13 C ATOM 1308 CZ PHE A 78 -4.722 -9.753 4.799 1.00 23.10 C ATOM 0 H PHE A 78 -1.179 -10.712 -0.933 1.00 41.44 H new ATOM 0 HA PHE A 78 -1.412 -11.993 1.702 1.00 22.34 H new ATOM 0 HB2 PHE A 78 -1.247 -9.536 1.545 1.00 4.34 H new ATOM 0 HB3 PHE A 78 -2.660 -9.488 0.511 1.00 4.34 H new ATOM 0 HD1 PHE A 78 -1.674 -10.848 3.875 1.00 44.33 H new ATOM 0 HD2 PHE A 78 -4.700 -8.988 1.520 1.00 54.14 H new ATOM 0 HE1 PHE A 78 -3.120 -10.692 5.854 1.00 52.00 H new ATOM 0 HE2 PHE A 78 -6.144 -8.832 3.499 1.00 75.13 H new ATOM 0 HZ PHE A 78 -5.358 -9.685 5.669 1.00 23.10 H new ATOM 1318 N LEU A 79 -3.726 -12.992 1.537 1.00 75.55 N ATOM 1319 CA LEU A 79 -4.943 -13.785 1.327 1.00 52.43 C ATOM 1320 C LEU A 79 -6.118 -13.294 2.188 1.00 42.41 C ATOM 1321 O LEU A 79 -6.024 -13.210 3.414 1.00 3.25 O ATOM 1322 CB LEU A 79 -4.660 -15.265 1.620 1.00 44.22 C ATOM 1323 CG LEU A 79 -3.748 -15.965 0.596 1.00 41.42 C ATOM 1324 CD1 LEU A 79 -3.324 -17.341 1.102 1.00 61.21 C ATOM 1325 CD2 LEU A 79 -4.451 -16.079 -0.756 1.00 55.31 C ATOM 0 H LEU A 79 -3.305 -13.101 2.460 1.00 75.55 H new ATOM 0 HA LEU A 79 -5.234 -13.663 0.284 1.00 52.43 H new ATOM 0 HB2 LEU A 79 -4.203 -15.344 2.606 1.00 44.22 H new ATOM 0 HB3 LEU A 79 -5.609 -15.799 1.665 1.00 44.22 H new ATOM 0 HG LEU A 79 -2.850 -15.361 0.466 1.00 41.42 H new ATOM 0 HD11 LEU A 79 -2.680 -17.818 0.363 1.00 61.21 H new ATOM 0 HD12 LEU A 79 -2.780 -17.232 2.040 1.00 61.21 H new ATOM 0 HD13 LEU A 79 -4.208 -17.957 1.264 1.00 61.21 H new ATOM 0 HD21 LEU A 79 -3.792 -16.576 -1.468 1.00 55.31 H new ATOM 0 HD22 LEU A 79 -5.366 -16.660 -0.642 1.00 55.31 H new ATOM 0 HD23 LEU A 79 -4.697 -15.083 -1.124 1.00 55.31 H new ATOM 1337 N ASP A 80 -7.222 -12.966 1.525 1.00 2.01 N ATOM 1338 CA ASP A 80 -8.466 -12.609 2.210 1.00 21.21 C ATOM 1339 C ASP A 80 -9.186 -13.869 2.731 1.00 0.30 C ATOM 1340 O ASP A 80 -8.792 -14.996 2.421 1.00 35.14 O ATOM 1341 CB ASP A 80 -9.376 -11.835 1.247 1.00 2.51 C ATOM 1342 CG ASP A 80 -10.666 -11.381 1.901 1.00 30.20 C ATOM 1343 OD1 ASP A 80 -10.624 -10.437 2.713 1.00 72.31 O ATOM 1344 OD2 ASP A 80 -11.721 -11.994 1.636 1.00 31.13 O ATOM 0 H ASP A 80 -7.283 -12.939 0.507 1.00 2.01 H new ATOM 0 HA ASP A 80 -8.228 -11.979 3.067 1.00 21.21 H new ATOM 0 HB2 ASP A 80 -8.840 -10.965 0.867 1.00 2.51 H new ATOM 0 HB3 ASP A 80 -9.610 -12.465 0.389 1.00 2.51 H new ATOM 1349 N SER A 81 -10.246 -13.672 3.516 1.00 62.31 N ATOM 1350 CA SER A 81 -11.077 -14.782 4.009 1.00 71.43 C ATOM 1351 C SER A 81 -11.691 -15.587 2.850 1.00 2.30 C ATOM 1352 O SER A 81 -11.987 -16.775 2.994 1.00 21.35 O ATOM 1353 CB SER A 81 -12.200 -14.255 4.915 1.00 4.34 C ATOM 1354 OG SER A 81 -11.683 -13.599 6.069 1.00 0.42 O ATOM 0 H SER A 81 -10.554 -12.751 3.828 1.00 62.31 H new ATOM 0 HA SER A 81 -10.427 -15.443 4.582 1.00 71.43 H new ATOM 0 HB2 SER A 81 -12.826 -13.562 4.353 1.00 4.34 H new ATOM 0 HB3 SER A 81 -12.838 -15.083 5.223 1.00 4.34 H new ATOM 0 HG SER A 81 -12.425 -13.275 6.621 1.00 0.42 H new ATOM 1360 N LYS A 82 -11.893 -14.931 1.707 1.00 52.03 N ATOM 1361 CA LYS A 82 -12.390 -15.603 0.493 1.00 23.50 C ATOM 1362 C LYS A 82 -11.277 -16.402 -0.214 1.00 13.45 C ATOM 1363 O LYS A 82 -11.539 -17.157 -1.150 1.00 35.34 O ATOM 1364 CB LYS A 82 -12.964 -14.570 -0.488 1.00 62.35 C ATOM 1365 CG LYS A 82 -14.141 -13.764 0.053 1.00 0.44 C ATOM 1366 CD LYS A 82 -15.368 -14.636 0.322 1.00 44.43 C ATOM 1367 CE LYS A 82 -16.578 -13.799 0.724 1.00 4.54 C ATOM 1368 NZ LYS A 82 -17.770 -14.644 1.001 1.00 34.30 N ATOM 0 H LYS A 82 -11.721 -13.932 1.590 1.00 52.03 H new ATOM 0 HA LYS A 82 -13.170 -16.298 0.804 1.00 23.50 H new ATOM 0 HB2 LYS A 82 -12.170 -13.881 -0.775 1.00 62.35 H new ATOM 0 HB3 LYS A 82 -13.280 -15.086 -1.394 1.00 62.35 H new ATOM 0 HG2 LYS A 82 -13.843 -13.265 0.975 1.00 0.44 H new ATOM 0 HG3 LYS A 82 -14.403 -12.983 -0.661 1.00 0.44 H new ATOM 0 HD2 LYS A 82 -15.606 -15.214 -0.571 1.00 44.43 H new ATOM 0 HD3 LYS A 82 -15.140 -15.350 1.113 1.00 44.43 H new ATOM 0 HE2 LYS A 82 -16.335 -13.212 1.610 1.00 4.54 H new ATOM 0 HE3 LYS A 82 -16.811 -13.092 -0.072 1.00 4.54 H new ATOM 0 HZ1 LYS A 82 -18.570 -14.037 1.271 1.00 34.30 H new ATOM 0 HZ2 LYS A 82 -18.018 -15.185 0.148 1.00 34.30 H new ATOM 0 HZ3 LYS A 82 -17.557 -15.301 1.778 1.00 34.30 H new ATOM 1382 N GLY A 83 -10.038 -16.228 0.238 1.00 61.25 N ATOM 1383 CA GLY A 83 -8.895 -16.859 -0.421 1.00 21.25 C ATOM 1384 C GLY A 83 -8.359 -16.036 -1.590 1.00 5.04 C ATOM 1385 O GLY A 83 -7.582 -16.531 -2.407 1.00 71.13 O ATOM 0 H GLY A 83 -9.799 -15.660 1.051 1.00 61.25 H new ATOM 0 HA2 GLY A 83 -8.098 -17.009 0.308 1.00 21.25 H new ATOM 0 HA3 GLY A 83 -9.188 -17.845 -0.781 1.00 21.25 H new ATOM 1389 N LEU A 84 -8.774 -14.774 -1.663 1.00 41.32 N ATOM 1390 CA LEU A 84 -8.355 -13.878 -2.748 1.00 62.45 C ATOM 1391 C LEU A 84 -6.892 -13.437 -2.583 1.00 14.24 C ATOM 1392 O LEU A 84 -6.535 -12.812 -1.584 1.00 40.02 O ATOM 1393 CB LEU A 84 -9.267 -12.642 -2.792 1.00 21.11 C ATOM 1394 CG LEU A 84 -10.760 -12.930 -3.019 1.00 71.53 C ATOM 1395 CD1 LEU A 84 -11.572 -11.636 -3.001 1.00 70.01 C ATOM 1396 CD2 LEU A 84 -10.972 -13.687 -4.330 1.00 75.20 C ATOM 0 H LEU A 84 -9.402 -14.344 -0.984 1.00 41.32 H new ATOM 0 HA LEU A 84 -8.439 -14.429 -3.685 1.00 62.45 H new ATOM 0 HB2 LEU A 84 -9.158 -12.098 -1.854 1.00 21.11 H new ATOM 0 HB3 LEU A 84 -8.917 -11.982 -3.586 1.00 21.11 H new ATOM 0 HG LEU A 84 -11.112 -13.560 -2.202 1.00 71.53 H new ATOM 0 HD11 LEU A 84 -12.625 -11.865 -3.164 1.00 70.01 H new ATOM 0 HD12 LEU A 84 -11.452 -11.145 -2.035 1.00 70.01 H new ATOM 0 HD13 LEU A 84 -11.219 -10.974 -3.791 1.00 70.01 H new ATOM 0 HD21 LEU A 84 -12.035 -13.880 -4.471 1.00 75.20 H new ATOM 0 HD22 LEU A 84 -10.599 -13.088 -5.161 1.00 75.20 H new ATOM 0 HD23 LEU A 84 -10.433 -14.634 -4.295 1.00 75.20 H new ATOM 1408 N GLU A 85 -6.056 -13.778 -3.562 1.00 71.41 N ATOM 1409 CA GLU A 85 -4.647 -13.364 -3.570 1.00 43.41 C ATOM 1410 C GLU A 85 -4.500 -11.878 -3.932 1.00 54.23 C ATOM 1411 O GLU A 85 -5.005 -11.425 -4.962 1.00 12.11 O ATOM 1412 CB GLU A 85 -3.844 -14.198 -4.581 1.00 24.42 C ATOM 1413 CG GLU A 85 -3.892 -15.701 -4.335 1.00 73.44 C ATOM 1414 CD GLU A 85 -3.044 -16.478 -5.331 1.00 32.05 C ATOM 1415 OE1 GLU A 85 -3.504 -16.697 -6.470 1.00 61.35 O ATOM 1416 OE2 GLU A 85 -1.911 -16.871 -4.983 1.00 63.23 O ATOM 0 H GLU A 85 -6.329 -14.343 -4.366 1.00 71.41 H new ATOM 0 HA GLU A 85 -4.260 -13.526 -2.564 1.00 43.41 H new ATOM 0 HB2 GLU A 85 -4.221 -13.994 -5.583 1.00 24.42 H new ATOM 0 HB3 GLU A 85 -2.804 -13.871 -4.559 1.00 24.42 H new ATOM 0 HG2 GLU A 85 -3.545 -15.912 -3.324 1.00 73.44 H new ATOM 0 HG3 GLU A 85 -4.925 -16.044 -4.396 1.00 73.44 H new ATOM 1423 N TYR A 86 -3.809 -11.126 -3.084 1.00 33.13 N ATOM 1424 CA TYR A 86 -3.465 -9.732 -3.377 1.00 21.03 C ATOM 1425 C TYR A 86 -1.961 -9.612 -3.666 1.00 72.30 C ATOM 1426 O TYR A 86 -1.150 -9.556 -2.738 1.00 40.33 O ATOM 1427 CB TYR A 86 -3.850 -8.823 -2.201 1.00 24.42 C ATOM 1428 CG TYR A 86 -5.310 -8.935 -1.792 1.00 40.25 C ATOM 1429 CD1 TYR A 86 -6.320 -8.390 -2.576 1.00 34.44 C ATOM 1430 CD2 TYR A 86 -5.675 -9.588 -0.621 1.00 31.43 C ATOM 1431 CE1 TYR A 86 -7.647 -8.490 -2.204 1.00 41.51 C ATOM 1432 CE2 TYR A 86 -6.997 -9.692 -0.244 1.00 71.41 C ATOM 1433 CZ TYR A 86 -7.980 -9.143 -1.039 1.00 43.24 C ATOM 1434 OH TYR A 86 -9.302 -9.244 -0.662 1.00 22.22 O ATOM 0 H TYR A 86 -3.472 -11.458 -2.180 1.00 33.13 H new ATOM 0 HA TYR A 86 -4.024 -9.414 -4.257 1.00 21.03 H new ATOM 0 HB2 TYR A 86 -3.222 -9.068 -1.344 1.00 24.42 H new ATOM 0 HB3 TYR A 86 -3.635 -7.788 -2.468 1.00 24.42 H new ATOM 0 HD1 TYR A 86 -6.063 -7.879 -3.492 1.00 34.44 H new ATOM 0 HD2 TYR A 86 -4.909 -10.022 0.005 1.00 31.43 H new ATOM 0 HE1 TYR A 86 -8.419 -8.058 -2.824 1.00 41.51 H new ATOM 0 HE2 TYR A 86 -7.261 -10.202 0.671 1.00 71.41 H new ATOM 0 HH TYR A 86 -9.688 -10.062 -1.039 1.00 22.22 H new ATOM 1444 N PRO A 87 -1.565 -9.607 -4.954 1.00 61.14 N ATOM 1445 CA PRO A 87 -0.146 -9.565 -5.343 1.00 42.25 C ATOM 1446 C PRO A 87 0.503 -8.189 -5.133 1.00 0.01 C ATOM 1447 O PRO A 87 0.619 -7.384 -6.060 1.00 2.43 O ATOM 1448 CB PRO A 87 -0.183 -9.944 -6.829 1.00 3.25 C ATOM 1449 CG PRO A 87 -1.523 -9.484 -7.301 1.00 63.05 C ATOM 1450 CD PRO A 87 -2.461 -9.649 -6.128 1.00 22.10 C ATOM 0 HA PRO A 87 0.462 -10.232 -4.732 1.00 42.25 H new ATOM 0 HB2 PRO A 87 0.621 -9.458 -7.382 1.00 3.25 H new ATOM 0 HB3 PRO A 87 -0.061 -11.018 -6.967 1.00 3.25 H new ATOM 0 HG2 PRO A 87 -1.486 -8.444 -7.627 1.00 63.05 H new ATOM 0 HG3 PRO A 87 -1.859 -10.073 -8.154 1.00 63.05 H new ATOM 0 HD2 PRO A 87 -3.203 -8.852 -6.094 1.00 22.10 H new ATOM 0 HD3 PRO A 87 -3.007 -10.591 -6.181 1.00 22.10 H new ATOM 1458 N ALA A 88 0.919 -7.925 -3.899 1.00 21.13 N ATOM 1459 CA ALA A 88 1.559 -6.659 -3.548 1.00 44.34 C ATOM 1460 C ALA A 88 3.003 -6.585 -4.083 1.00 41.03 C ATOM 1461 O ALA A 88 3.939 -7.117 -3.479 1.00 14.33 O ATOM 1462 CB ALA A 88 1.525 -6.466 -2.035 1.00 1.34 C ATOM 0 H ALA A 88 0.824 -8.575 -3.119 1.00 21.13 H new ATOM 0 HA ALA A 88 1.002 -5.850 -4.021 1.00 44.34 H new ATOM 0 HB1 ALA A 88 2.003 -5.521 -1.778 1.00 1.34 H new ATOM 0 HB2 ALA A 88 0.490 -6.454 -1.693 1.00 1.34 H new ATOM 0 HB3 ALA A 88 2.057 -7.285 -1.552 1.00 1.34 H new ATOM 1468 N VAL A 89 3.171 -5.949 -5.241 1.00 43.12 N ATOM 1469 CA VAL A 89 4.498 -5.758 -5.845 1.00 40.31 C ATOM 1470 C VAL A 89 4.994 -4.318 -5.621 1.00 12.01 C ATOM 1471 O VAL A 89 4.196 -3.383 -5.562 1.00 71.10 O ATOM 1472 CB VAL A 89 4.473 -6.076 -7.365 1.00 44.23 C ATOM 1473 CG1 VAL A 89 5.861 -5.923 -7.990 1.00 42.43 C ATOM 1474 CG2 VAL A 89 3.923 -7.480 -7.609 1.00 3.43 C ATOM 0 H VAL A 89 2.404 -5.554 -5.785 1.00 43.12 H new ATOM 0 HA VAL A 89 5.185 -6.450 -5.358 1.00 40.31 H new ATOM 0 HB VAL A 89 3.812 -5.355 -7.846 1.00 44.23 H new ATOM 0 HG11 VAL A 89 5.808 -6.153 -9.054 1.00 42.43 H new ATOM 0 HG12 VAL A 89 6.209 -4.899 -7.857 1.00 42.43 H new ATOM 0 HG13 VAL A 89 6.556 -6.608 -7.505 1.00 42.43 H new ATOM 0 HG21 VAL A 89 3.913 -7.686 -8.679 1.00 3.43 H new ATOM 0 HG22 VAL A 89 4.555 -8.211 -7.105 1.00 3.43 H new ATOM 0 HG23 VAL A 89 2.908 -7.546 -7.217 1.00 3.43 H new ATOM 1484 N VAL A 90 6.310 -4.144 -5.499 1.00 34.20 N ATOM 1485 CA VAL A 90 6.894 -2.838 -5.159 1.00 32.41 C ATOM 1486 C VAL A 90 7.436 -2.091 -6.396 1.00 13.41 C ATOM 1487 O VAL A 90 8.218 -2.639 -7.179 1.00 64.10 O ATOM 1488 CB VAL A 90 8.043 -3.011 -4.131 1.00 32.24 C ATOM 1489 CG1 VAL A 90 8.654 -1.665 -3.755 1.00 34.43 C ATOM 1490 CG2 VAL A 90 7.546 -3.745 -2.889 1.00 41.30 C ATOM 0 H VAL A 90 6.995 -4.888 -5.630 1.00 34.20 H new ATOM 0 HA VAL A 90 6.089 -2.241 -4.730 1.00 32.41 H new ATOM 0 HB VAL A 90 8.823 -3.612 -4.597 1.00 32.24 H new ATOM 0 HG11 VAL A 90 9.456 -1.818 -3.033 1.00 34.43 H new ATOM 0 HG12 VAL A 90 9.056 -1.186 -4.648 1.00 34.43 H new ATOM 0 HG13 VAL A 90 7.887 -1.028 -3.315 1.00 34.43 H new ATOM 0 HG21 VAL A 90 8.366 -3.857 -2.180 1.00 41.30 H new ATOM 0 HG22 VAL A 90 6.741 -3.174 -2.426 1.00 41.30 H new ATOM 0 HG23 VAL A 90 7.175 -4.730 -3.173 1.00 41.30 H new ATOM 1500 N GLU A 91 7.021 -0.833 -6.564 1.00 72.10 N ATOM 1501 CA GLU A 91 7.579 0.042 -7.608 1.00 13.53 C ATOM 1502 C GLU A 91 7.824 1.450 -7.047 1.00 72.34 C ATOM 1503 O GLU A 91 7.412 1.759 -5.935 1.00 32.12 O ATOM 1504 CB GLU A 91 6.652 0.120 -8.835 1.00 62.22 C ATOM 1505 CG GLU A 91 5.354 0.895 -8.604 1.00 32.41 C ATOM 1506 CD GLU A 91 4.600 1.178 -9.898 1.00 23.20 C ATOM 1507 OE1 GLU A 91 5.112 1.954 -10.730 1.00 13.31 O ATOM 1508 OE2 GLU A 91 3.499 0.628 -10.098 1.00 60.33 O ATOM 0 H GLU A 91 6.300 -0.394 -5.992 1.00 72.10 H new ATOM 0 HA GLU A 91 8.527 -0.389 -7.929 1.00 13.53 H new ATOM 0 HB2 GLU A 91 7.197 0.586 -9.656 1.00 62.22 H new ATOM 0 HB3 GLU A 91 6.404 -0.893 -9.151 1.00 62.22 H new ATOM 0 HG2 GLU A 91 4.712 0.327 -7.931 1.00 32.41 H new ATOM 0 HG3 GLU A 91 5.582 1.838 -8.107 1.00 32.41 H new ATOM 1515 N PHE A 92 8.492 2.310 -7.810 1.00 44.13 N ATOM 1516 CA PHE A 92 8.806 3.667 -7.338 1.00 45.03 C ATOM 1517 C PHE A 92 8.457 4.736 -8.381 1.00 11.43 C ATOM 1518 O PHE A 92 8.323 4.451 -9.573 1.00 71.45 O ATOM 1519 CB PHE A 92 10.290 3.767 -6.951 1.00 34.53 C ATOM 1520 CG PHE A 92 11.241 3.387 -8.063 1.00 45.24 C ATOM 1521 CD1 PHE A 92 11.633 2.068 -8.232 1.00 23.11 C ATOM 1522 CD2 PHE A 92 11.737 4.346 -8.935 1.00 10.13 C ATOM 1523 CE1 PHE A 92 12.501 1.712 -9.248 1.00 51.23 C ATOM 1524 CE2 PHE A 92 12.604 3.996 -9.952 1.00 43.14 C ATOM 1525 CZ PHE A 92 12.987 2.677 -10.108 1.00 34.15 C ATOM 0 H PHE A 92 8.827 2.100 -8.750 1.00 44.13 H new ATOM 0 HA PHE A 92 8.190 3.856 -6.459 1.00 45.03 H new ATOM 0 HB2 PHE A 92 10.505 4.788 -6.636 1.00 34.53 H new ATOM 0 HB3 PHE A 92 10.475 3.122 -6.092 1.00 34.53 H new ATOM 0 HD1 PHE A 92 11.256 1.309 -7.562 1.00 23.11 H new ATOM 0 HD2 PHE A 92 11.442 5.378 -8.817 1.00 10.13 H new ATOM 0 HE1 PHE A 92 12.798 0.681 -9.369 1.00 51.23 H new ATOM 0 HE2 PHE A 92 12.982 4.752 -10.624 1.00 43.14 H new ATOM 0 HZ PHE A 92 13.666 2.401 -10.902 1.00 34.15 H new ATOM 1535 N ALA A 93 8.314 5.972 -7.917 1.00 54.33 N ATOM 1536 CA ALA A 93 7.997 7.102 -8.795 1.00 4.42 C ATOM 1537 C ALA A 93 9.265 7.647 -9.475 1.00 24.53 C ATOM 1538 O ALA A 93 10.307 7.787 -8.830 1.00 63.24 O ATOM 1539 CB ALA A 93 7.302 8.202 -7.997 1.00 44.20 C ATOM 0 H ALA A 93 8.412 6.222 -6.933 1.00 54.33 H new ATOM 0 HA ALA A 93 7.324 6.752 -9.577 1.00 4.42 H new ATOM 0 HB1 ALA A 93 7.070 9.038 -8.656 1.00 44.20 H new ATOM 0 HB2 ALA A 93 6.380 7.812 -7.567 1.00 44.20 H new ATOM 0 HB3 ALA A 93 7.960 8.542 -7.197 1.00 44.20 H new