USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 180:sc= -0.187 USER MOD Set 1.2: A 69 MET CE :methyl 178:sc= -5.15! (180deg=-5.18!) USER MOD Set 2.1: A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.19 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 14 HIS : no HD1:sc= 0.411 K(o=0.41,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.667 K(o=0.67,f=-0.12) USER MOD Single : A 23 THR OG1 : rot -83:sc= -1.62! USER MOD Single : A 25 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -124:sc= 0.308 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= -0.0587 (180deg=-0.108) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0.522 (180deg=-1.04!) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0.658 (180deg=-0.714!) USER MOD Single : A 74 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.578 (180deg=-2.75!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -31.842 20.669 16.899 1.00 0.00 N ATOM 122 CA PRO A 9 -32.901 21.697 16.949 1.00 0.00 C ATOM 123 C PRO A 9 -34.080 21.330 16.024 1.00 0.00 C ATOM 124 O PRO A 9 -35.231 21.308 16.455 1.00 0.00 O ATOM 125 CB PRO A 9 -32.185 22.966 16.463 1.00 0.00 C ATOM 126 CG PRO A 9 -30.963 22.493 15.639 1.00 0.00 C ATOM 127 CD PRO A 9 -30.676 21.040 16.067 1.00 0.00 C ATOM 0 HA PRO A 9 -33.339 21.810 17.941 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -32.850 23.578 15.854 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -31.870 23.581 17.306 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -31.172 22.548 14.571 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -30.099 23.130 15.828 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -30.578 20.382 15.203 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -29.746 20.967 16.630 1.00 0.00 H new ATOM 135 N ILE A 10 -33.812 21.050 14.769 1.00 0.00 N ATOM 136 CA ILE A 10 -34.910 20.693 13.803 1.00 0.00 C ATOM 137 C ILE A 10 -35.792 19.576 14.383 1.00 0.00 C ATOM 138 O ILE A 10 -37.020 19.668 14.371 1.00 0.00 O ATOM 139 CB ILE A 10 -34.294 20.216 12.477 1.00 0.00 C ATOM 140 CG1 ILE A 10 -33.429 21.325 11.874 1.00 0.00 C ATOM 141 CG2 ILE A 10 -35.407 19.864 11.486 1.00 0.00 C ATOM 142 CD1 ILE A 10 -32.247 20.699 11.135 1.00 0.00 C ATOM 0 H ILE A 10 -32.874 21.053 14.367 1.00 0.00 H new ATOM 0 HA ILE A 10 -35.524 21.577 13.630 1.00 0.00 H new ATOM 0 HB ILE A 10 -33.680 19.337 12.673 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -34.021 21.932 11.189 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -33.070 21.990 12.660 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -34.966 19.527 10.548 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -36.027 19.070 11.902 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -36.022 20.745 11.302 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -31.629 21.487 10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -31.651 20.111 11.833 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -32.617 20.052 10.340 1.00 0.00 H new ATOM 154 N SER A 11 -35.188 18.530 14.887 1.00 0.00 N ATOM 155 CA SER A 11 -35.971 17.397 15.474 1.00 0.00 C ATOM 156 C SER A 11 -36.927 17.921 16.553 1.00 0.00 C ATOM 157 O SER A 11 -38.141 17.785 16.431 1.00 0.00 O ATOM 158 CB SER A 11 -35.006 16.374 16.082 1.00 0.00 C ATOM 159 OG SER A 11 -33.669 16.853 15.939 1.00 0.00 O ATOM 0 H SER A 11 -34.176 18.410 14.918 1.00 0.00 H new ATOM 0 HA SER A 11 -36.558 16.920 14.689 1.00 0.00 H new ATOM 0 HB2 SER A 11 -35.239 16.217 17.135 1.00 0.00 H new ATOM 0 HB3 SER A 11 -35.116 15.411 15.584 1.00 0.00 H new ATOM 0 HG SER A 11 -33.046 16.204 16.328 1.00 0.00 H new ATOM 165 N GLN A 12 -36.412 18.530 17.596 1.00 0.00 N ATOM 166 CA GLN A 12 -37.309 19.064 18.673 1.00 0.00 C ATOM 167 C GLN A 12 -38.343 20.026 18.069 1.00 0.00 C ATOM 168 O GLN A 12 -39.505 20.041 18.474 1.00 0.00 O ATOM 169 CB GLN A 12 -36.475 19.790 19.731 1.00 0.00 C ATOM 170 CG GLN A 12 -36.108 18.804 20.844 1.00 0.00 C ATOM 171 CD GLN A 12 -35.437 19.543 21.999 1.00 0.00 C ATOM 172 OE1 GLN A 12 -34.922 20.650 21.829 1.00 0.00 O ATOM 173 NE2 GLN A 12 -35.409 18.993 23.174 1.00 0.00 N ATOM 0 H GLN A 12 -35.415 18.680 17.748 1.00 0.00 H new ATOM 0 HA GLN A 12 -37.834 18.232 19.142 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -35.572 20.201 19.280 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -37.037 20.629 20.142 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -37.004 18.295 21.199 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -35.438 18.037 20.455 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -35.834 18.077 23.319 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -34.962 19.477 23.953 1.00 0.00 H new ATOM 182 N VAL A 13 -37.959 20.817 17.097 1.00 0.00 N ATOM 183 CA VAL A 13 -38.947 21.750 16.465 1.00 0.00 C ATOM 184 C VAL A 13 -40.053 20.910 15.818 1.00 0.00 C ATOM 185 O VAL A 13 -41.242 21.195 15.964 1.00 0.00 O ATOM 186 CB VAL A 13 -38.257 22.612 15.398 1.00 0.00 C ATOM 187 CG1 VAL A 13 -39.275 23.559 14.765 1.00 0.00 C ATOM 188 CG2 VAL A 13 -37.147 23.444 16.040 1.00 0.00 C ATOM 0 H VAL A 13 -37.014 20.858 16.716 1.00 0.00 H new ATOM 0 HA VAL A 13 -39.368 22.413 17.221 1.00 0.00 H new ATOM 0 HB VAL A 13 -37.834 21.957 14.637 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -38.782 24.170 14.008 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -40.072 22.979 14.301 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -39.698 24.206 15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -36.662 24.053 15.278 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -37.574 24.092 16.805 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -36.412 22.780 16.496 1.00 0.00 H new ATOM 198 N HIS A 14 -39.684 19.856 15.136 1.00 0.00 N ATOM 199 CA HIS A 14 -40.705 18.966 14.518 1.00 0.00 C ATOM 200 C HIS A 14 -41.491 18.286 15.648 1.00 0.00 C ATOM 201 O HIS A 14 -42.707 18.137 15.577 1.00 0.00 O ATOM 202 CB HIS A 14 -40.001 17.906 13.664 1.00 0.00 C ATOM 203 CG HIS A 14 -39.719 18.461 12.296 1.00 0.00 C ATOM 204 ND1 HIS A 14 -40.326 17.959 11.159 1.00 0.00 N ATOM 205 CD2 HIS A 14 -38.895 19.470 11.866 1.00 0.00 C ATOM 206 CE1 HIS A 14 -39.863 18.661 10.107 1.00 0.00 C ATOM 207 NE2 HIS A 14 -38.987 19.594 10.483 1.00 0.00 N ATOM 0 H HIS A 14 -38.716 19.575 14.982 1.00 0.00 H new ATOM 0 HA HIS A 14 -41.381 19.539 13.884 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -39.070 17.600 14.142 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -40.626 17.016 13.584 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -38.269 20.076 12.504 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -40.164 18.489 9.084 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -38.491 20.256 9.886 1.00 0.00 H new ATOM 215 N GLU A 15 -40.809 17.890 16.695 1.00 0.00 N ATOM 216 CA GLU A 15 -41.487 17.233 17.854 1.00 0.00 C ATOM 217 C GLU A 15 -42.533 18.185 18.455 1.00 0.00 C ATOM 218 O GLU A 15 -43.705 17.836 18.579 1.00 0.00 O ATOM 219 CB GLU A 15 -40.442 16.884 18.924 1.00 0.00 C ATOM 220 CG GLU A 15 -39.516 15.765 18.414 1.00 0.00 C ATOM 221 CD GLU A 15 -38.135 15.860 19.080 1.00 0.00 C ATOM 222 OE1 GLU A 15 -38.072 16.201 20.251 1.00 0.00 O ATOM 223 OE2 GLU A 15 -37.159 15.582 18.405 1.00 0.00 O ATOM 0 H GLU A 15 -39.800 17.996 16.796 1.00 0.00 H new ATOM 0 HA GLU A 15 -41.982 16.324 17.513 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -39.855 17.768 19.172 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -40.940 16.565 19.840 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -39.961 14.793 18.625 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -39.410 15.839 17.332 1.00 0.00 H new ATOM 230 N ILE A 16 -42.141 19.385 18.827 1.00 0.00 N ATOM 231 CA ILE A 16 -43.130 20.348 19.418 1.00 0.00 C ATOM 232 C ILE A 16 -44.223 20.676 18.389 1.00 0.00 C ATOM 233 O ILE A 16 -45.399 20.802 18.734 1.00 0.00 O ATOM 234 CB ILE A 16 -42.406 21.633 19.864 1.00 0.00 C ATOM 235 CG1 ILE A 16 -43.394 22.568 20.565 1.00 0.00 C ATOM 236 CG2 ILE A 16 -41.813 22.360 18.657 1.00 0.00 C ATOM 237 CD1 ILE A 16 -43.921 21.898 21.834 1.00 0.00 C ATOM 0 H ILE A 16 -41.187 19.736 18.748 1.00 0.00 H new ATOM 0 HA ILE A 16 -43.600 19.891 20.289 1.00 0.00 H new ATOM 0 HB ILE A 16 -41.604 21.355 20.548 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -42.905 23.509 20.815 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -44.222 22.806 19.897 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -41.306 23.265 18.991 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -41.099 21.708 18.154 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -42.611 22.626 17.964 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -44.625 22.565 22.332 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -44.426 20.968 21.572 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -43.089 21.682 22.504 1.00 0.00 H new ATOM 249 N GLY A 17 -43.866 20.801 17.134 1.00 0.00 N ATOM 250 CA GLY A 17 -44.892 21.101 16.083 1.00 0.00 C ATOM 251 C GLY A 17 -45.857 19.918 15.977 1.00 0.00 C ATOM 252 O GLY A 17 -47.072 20.076 16.074 1.00 0.00 O ATOM 0 H GLY A 17 -42.910 20.709 16.791 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -45.437 22.010 16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -44.407 21.278 15.123 1.00 0.00 H new ATOM 256 N ILE A 18 -45.334 18.734 15.804 1.00 0.00 N ATOM 257 CA ILE A 18 -46.206 17.520 15.717 1.00 0.00 C ATOM 258 C ILE A 18 -46.963 17.361 17.045 1.00 0.00 C ATOM 259 O ILE A 18 -48.163 17.089 17.069 1.00 0.00 O ATOM 260 CB ILE A 18 -45.323 16.291 15.457 1.00 0.00 C ATOM 261 CG1 ILE A 18 -44.700 16.397 14.065 1.00 0.00 C ATOM 262 CG2 ILE A 18 -46.158 15.011 15.527 1.00 0.00 C ATOM 263 CD1 ILE A 18 -43.408 15.584 14.027 1.00 0.00 C ATOM 0 H ILE A 18 -44.334 18.551 15.718 1.00 0.00 H new ATOM 0 HA ILE A 18 -46.924 17.621 14.903 1.00 0.00 H new ATOM 0 HB ILE A 18 -44.543 16.255 16.217 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -45.397 16.028 13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -44.494 17.440 13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -45.518 14.149 15.341 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -46.607 14.923 16.516 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -46.945 15.048 14.774 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -42.961 15.657 13.036 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -42.711 15.974 14.769 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -43.628 14.540 14.249 1.00 0.00 H new ATOM 275 N LYS A 19 -46.283 17.550 18.148 1.00 0.00 N ATOM 276 CA LYS A 19 -46.944 17.436 19.486 1.00 0.00 C ATOM 277 C LYS A 19 -48.042 18.508 19.639 1.00 0.00 C ATOM 278 O LYS A 19 -48.895 18.414 20.522 1.00 0.00 O ATOM 279 CB LYS A 19 -45.886 17.627 20.580 1.00 0.00 C ATOM 280 CG LYS A 19 -45.451 16.261 21.117 1.00 0.00 C ATOM 281 CD LYS A 19 -45.079 16.388 22.597 1.00 0.00 C ATOM 282 CE LYS A 19 -45.298 15.048 23.297 1.00 0.00 C ATOM 283 NZ LYS A 19 -46.713 14.970 23.771 1.00 0.00 N ATOM 0 H LYS A 19 -45.290 17.780 18.180 1.00 0.00 H new ATOM 0 HA LYS A 19 -47.405 16.452 19.576 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -45.025 18.162 20.178 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -46.290 18.235 21.389 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -46.257 15.537 20.995 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -44.599 15.889 20.548 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -44.038 16.695 22.696 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -45.686 17.160 23.070 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -45.085 14.227 22.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -44.613 14.947 24.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -46.869 14.060 24.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -46.899 15.747 24.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -47.356 15.049 22.958 1.00 0.00 H new ATOM 297 N ARG A 20 -48.038 19.523 18.809 1.00 0.00 N ATOM 298 CA ARG A 20 -49.080 20.591 18.915 1.00 0.00 C ATOM 299 C ARG A 20 -49.912 20.661 17.617 1.00 0.00 C ATOM 300 O ARG A 20 -50.539 21.679 17.324 1.00 0.00 O ATOM 301 CB ARG A 20 -48.388 21.937 19.162 1.00 0.00 C ATOM 302 CG ARG A 20 -49.349 22.887 19.884 1.00 0.00 C ATOM 303 CD ARG A 20 -49.571 22.404 21.319 1.00 0.00 C ATOM 304 NE ARG A 20 -48.958 23.385 22.267 1.00 0.00 N ATOM 305 CZ ARG A 20 -48.197 22.976 23.225 1.00 0.00 C ATOM 306 NH1 ARG A 20 -46.979 22.639 22.973 1.00 0.00 N ATOM 307 NH2 ARG A 20 -48.659 22.904 24.425 1.00 0.00 N ATOM 0 H ARG A 20 -47.357 19.658 18.062 1.00 0.00 H new ATOM 0 HA ARG A 20 -49.751 20.361 19.743 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -47.489 21.790 19.760 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -48.073 22.374 18.215 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -48.941 23.898 19.889 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -50.300 22.930 19.353 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -50.637 22.303 21.521 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -49.125 21.419 21.457 1.00 0.00 H new ATOM 0 HE ARG A 20 -49.142 24.382 22.156 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -46.621 22.696 22.020 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -46.373 22.315 23.727 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -49.625 23.170 24.616 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -48.059 22.581 25.184 1.00 0.00 H new ATOM 321 N ASN A 21 -49.938 19.601 16.841 1.00 0.00 N ATOM 322 CA ASN A 21 -50.735 19.603 15.568 1.00 0.00 C ATOM 323 C ASN A 21 -50.285 20.760 14.651 1.00 0.00 C ATOM 324 O ASN A 21 -51.101 21.406 13.989 1.00 0.00 O ATOM 325 CB ASN A 21 -52.224 19.755 15.910 1.00 0.00 C ATOM 326 CG ASN A 21 -53.077 19.151 14.796 1.00 0.00 C ATOM 327 OD1 ASN A 21 -53.599 18.053 14.933 1.00 0.00 O ATOM 328 ND2 ASN A 21 -53.248 19.810 13.692 1.00 0.00 N ATOM 0 H ASN A 21 -49.440 18.732 17.034 1.00 0.00 H new ATOM 0 HA ASN A 21 -50.571 18.664 15.040 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -52.441 19.259 16.856 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -52.471 20.809 16.038 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -53.815 19.412 12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -52.815 20.726 13.572 1.00 0.00 H new ATOM 335 N MET A 22 -49.008 21.031 14.592 1.00 0.00 N ATOM 336 CA MET A 22 -48.512 22.140 13.719 1.00 0.00 C ATOM 337 C MET A 22 -47.750 21.560 12.516 1.00 0.00 C ATOM 338 O MET A 22 -46.912 20.669 12.659 1.00 0.00 O ATOM 339 CB MET A 22 -47.579 23.042 14.534 1.00 0.00 C ATOM 340 CG MET A 22 -48.396 24.140 15.221 1.00 0.00 C ATOM 341 SD MET A 22 -47.424 25.665 15.273 1.00 0.00 S ATOM 342 CE MET A 22 -48.798 26.818 15.036 1.00 0.00 C ATOM 0 H MET A 22 -48.285 20.533 15.111 1.00 0.00 H new ATOM 0 HA MET A 22 -49.359 22.721 13.354 1.00 0.00 H new ATOM 0 HB2 MET A 22 -47.046 22.452 15.279 1.00 0.00 H new ATOM 0 HB3 MET A 22 -46.827 23.488 13.883 1.00 0.00 H new ATOM 0 HG2 MET A 22 -49.328 24.307 14.681 1.00 0.00 H new ATOM 0 HG3 MET A 22 -48.664 23.831 16.231 1.00 0.00 H new ATOM 0 HE1 MET A 22 -48.419 27.840 15.035 1.00 0.00 H new ATOM 0 HE2 MET A 22 -49.286 26.611 14.084 1.00 0.00 H new ATOM 0 HE3 MET A 22 -49.517 26.698 15.846 1.00 0.00 H new ATOM 352 N THR A 23 -48.021 22.050 11.333 1.00 0.00 N ATOM 353 CA THR A 23 -47.312 21.530 10.120 1.00 0.00 C ATOM 354 C THR A 23 -45.874 22.059 10.094 1.00 0.00 C ATOM 355 O THR A 23 -45.586 23.101 9.504 1.00 0.00 O ATOM 356 CB THR A 23 -48.045 21.983 8.849 1.00 0.00 C ATOM 357 OG1 THR A 23 -48.878 23.094 9.149 1.00 0.00 O ATOM 358 CG2 THR A 23 -48.909 20.841 8.321 1.00 0.00 C ATOM 0 H THR A 23 -48.702 22.788 11.153 1.00 0.00 H new ATOM 0 HA THR A 23 -47.299 20.441 10.159 1.00 0.00 H new ATOM 0 HB THR A 23 -47.311 22.267 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 23 -49.728 22.775 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 23 -49.428 21.165 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 23 -48.277 19.984 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 23 -49.640 20.557 9.078 1.00 0.00 H new ATOM 366 N VAL A 24 -44.967 21.360 10.723 1.00 0.00 N ATOM 367 CA VAL A 24 -43.541 21.812 10.738 1.00 0.00 C ATOM 368 C VAL A 24 -42.785 21.132 9.592 1.00 0.00 C ATOM 369 O VAL A 24 -42.577 19.916 9.592 1.00 0.00 O ATOM 370 CB VAL A 24 -42.892 21.440 12.077 1.00 0.00 C ATOM 371 CG1 VAL A 24 -41.410 21.818 12.055 1.00 0.00 C ATOM 372 CG2 VAL A 24 -43.579 22.204 13.207 1.00 0.00 C ATOM 0 H VAL A 24 -45.151 20.493 11.229 1.00 0.00 H new ATOM 0 HA VAL A 24 -43.501 22.894 10.612 1.00 0.00 H new ATOM 0 HB VAL A 24 -42.996 20.367 12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -40.953 21.552 13.008 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -40.909 21.281 11.250 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -41.311 22.891 11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -43.117 21.939 14.158 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -43.474 23.276 13.038 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -44.637 21.943 13.232 1.00 0.00 H new ATOM 382 N HIS A 25 -42.376 21.887 8.612 1.00 0.00 N ATOM 383 CA HIS A 25 -41.636 21.284 7.461 1.00 0.00 C ATOM 384 C HIS A 25 -40.366 22.101 7.188 1.00 0.00 C ATOM 385 O HIS A 25 -40.413 23.320 7.013 1.00 0.00 O ATOM 386 CB HIS A 25 -42.533 21.269 6.213 1.00 0.00 C ATOM 387 CG HIS A 25 -43.903 20.744 6.563 1.00 0.00 C ATOM 388 ND1 HIS A 25 -44.094 19.708 7.464 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.158 21.099 6.135 1.00 0.00 C ATOM 390 CE1 HIS A 25 -45.418 19.478 7.545 1.00 0.00 C ATOM 391 NE2 HIS A 25 -46.112 20.299 6.755 1.00 0.00 N ATOM 0 H HIS A 25 -42.520 22.895 8.555 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.358 20.259 7.705 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -42.615 22.276 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.083 20.646 5.440 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -43.364 19.210 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -45.373 21.882 5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -45.864 18.721 8.173 1.00 0.00 H new ATOM 399 N PHE A 26 -39.231 21.454 7.160 1.00 0.00 N ATOM 400 CA PHE A 26 -37.950 22.183 6.912 1.00 0.00 C ATOM 401 C PHE A 26 -37.514 22.008 5.448 1.00 0.00 C ATOM 402 O PHE A 26 -37.769 20.980 4.820 1.00 0.00 O ATOM 403 CB PHE A 26 -36.865 21.625 7.842 1.00 0.00 C ATOM 404 CG PHE A 26 -36.882 22.375 9.155 1.00 0.00 C ATOM 405 CD1 PHE A 26 -38.050 22.418 9.924 1.00 0.00 C ATOM 406 CD2 PHE A 26 -35.727 23.026 9.602 1.00 0.00 C ATOM 407 CE1 PHE A 26 -38.064 23.111 11.140 1.00 0.00 C ATOM 408 CE2 PHE A 26 -35.741 23.720 10.819 1.00 0.00 C ATOM 409 CZ PHE A 26 -36.910 23.762 11.587 1.00 0.00 C ATOM 0 H PHE A 26 -39.135 20.448 7.299 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.097 23.245 7.110 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.034 20.563 8.017 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -35.886 21.719 7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -38.942 21.916 9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -34.825 22.994 9.009 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -38.966 23.143 11.733 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -34.850 24.223 11.164 1.00 0.00 H new ATOM 0 HZ PHE A 26 -36.921 24.297 12.525 1.00 0.00 H new ATOM 419 N LYS A 27 -36.860 22.995 4.900 1.00 0.00 N ATOM 420 CA LYS A 27 -36.395 22.912 3.483 1.00 0.00 C ATOM 421 C LYS A 27 -35.156 23.802 3.300 1.00 0.00 C ATOM 422 O LYS A 27 -35.238 25.028 3.348 1.00 0.00 O ATOM 423 CB LYS A 27 -37.515 23.390 2.553 1.00 0.00 C ATOM 424 CG LYS A 27 -37.345 22.748 1.172 1.00 0.00 C ATOM 425 CD LYS A 27 -38.059 21.391 1.148 1.00 0.00 C ATOM 426 CE LYS A 27 -39.546 21.594 0.856 1.00 0.00 C ATOM 427 NZ LYS A 27 -39.773 21.514 -0.619 1.00 0.00 N ATOM 0 H LYS A 27 -36.625 23.865 5.377 1.00 0.00 H new ATOM 0 HA LYS A 27 -36.138 21.881 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -38.486 23.126 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -37.490 24.476 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -37.756 23.401 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -36.286 22.618 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -37.614 20.749 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -37.933 20.886 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -40.136 20.834 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -39.874 22.562 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -40.784 21.652 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -39.220 22.254 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -39.474 20.580 -0.966 1.00 0.00 H new ATOM 441 N VAL A 28 -34.010 23.215 3.092 1.00 0.00 N ATOM 442 CA VAL A 28 -32.777 24.040 2.906 1.00 0.00 C ATOM 443 C VAL A 28 -32.645 24.428 1.429 1.00 0.00 C ATOM 444 O VAL A 28 -32.919 23.632 0.532 1.00 0.00 O ATOM 445 CB VAL A 28 -31.542 23.246 3.355 1.00 0.00 C ATOM 446 CG1 VAL A 28 -30.345 24.191 3.483 1.00 0.00 C ATOM 447 CG2 VAL A 28 -31.808 22.604 4.718 1.00 0.00 C ATOM 0 H VAL A 28 -33.871 22.206 3.042 1.00 0.00 H new ATOM 0 HA VAL A 28 -32.850 24.943 3.511 1.00 0.00 H new ATOM 0 HB VAL A 28 -31.330 22.472 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -29.469 23.627 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -30.145 24.658 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.568 24.962 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.929 22.041 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -32.023 23.382 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -32.662 21.931 4.643 1.00 0.00 H new ATOM 457 N LEU A 29 -32.244 25.640 1.160 1.00 0.00 N ATOM 458 CA LEU A 29 -32.104 26.090 -0.262 1.00 0.00 C ATOM 459 C LEU A 29 -30.669 25.848 -0.742 1.00 0.00 C ATOM 460 O LEU A 29 -30.438 25.429 -1.875 1.00 0.00 O ATOM 461 CB LEU A 29 -32.440 27.589 -0.376 1.00 0.00 C ATOM 462 CG LEU A 29 -33.525 27.974 0.635 1.00 0.00 C ATOM 463 CD1 LEU A 29 -33.836 29.462 0.510 1.00 0.00 C ATOM 464 CD2 LEU A 29 -34.798 27.177 0.355 1.00 0.00 C ATOM 0 H LEU A 29 -32.006 26.342 1.861 1.00 0.00 H new ATOM 0 HA LEU A 29 -32.795 25.521 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -31.543 28.183 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -32.779 27.816 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 29 -33.167 27.754 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -34.608 29.734 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -32.934 30.040 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -34.189 29.676 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -35.567 27.454 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -35.150 27.396 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -34.586 26.111 0.442 1.00 0.00 H new ATOM 476 N ARG A 30 -29.704 26.107 0.099 1.00 0.00 N ATOM 477 CA ARG A 30 -28.276 25.895 -0.300 1.00 0.00 C ATOM 478 C ARG A 30 -27.395 25.749 0.954 1.00 0.00 C ATOM 479 O ARG A 30 -27.284 26.674 1.754 1.00 0.00 O ATOM 480 CB ARG A 30 -27.798 27.104 -1.122 1.00 0.00 C ATOM 481 CG ARG A 30 -28.006 26.840 -2.621 1.00 0.00 C ATOM 482 CD ARG A 30 -29.081 27.787 -3.164 1.00 0.00 C ATOM 483 NE ARG A 30 -28.980 27.854 -4.655 1.00 0.00 N ATOM 484 CZ ARG A 30 -29.004 28.995 -5.262 1.00 0.00 C ATOM 485 NH1 ARG A 30 -30.132 29.579 -5.486 1.00 0.00 N ATOM 486 NH2 ARG A 30 -27.902 29.544 -5.642 1.00 0.00 N ATOM 0 H ARG A 30 -29.840 26.457 1.047 1.00 0.00 H new ATOM 0 HA ARG A 30 -28.199 24.986 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -28.347 27.997 -0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -26.744 27.296 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -27.070 26.988 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -28.305 25.804 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -30.071 27.437 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.955 28.781 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.892 26.994 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -31.002 29.140 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -30.154 30.479 -5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -27.012 29.078 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -27.919 30.444 -6.121 1.00 0.00 H new ATOM 631 N PHE A 40 -25.388 29.006 4.222 1.00 0.00 N ATOM 632 CA PHE A 40 -26.422 27.941 4.412 1.00 0.00 C ATOM 633 C PHE A 40 -27.825 28.569 4.481 1.00 0.00 C ATOM 634 O PHE A 40 -28.261 29.052 5.527 1.00 0.00 O ATOM 635 CB PHE A 40 -26.139 27.192 5.719 1.00 0.00 C ATOM 636 CG PHE A 40 -25.022 26.195 5.527 1.00 0.00 C ATOM 637 CD1 PHE A 40 -23.709 26.639 5.337 1.00 0.00 C ATOM 638 CD2 PHE A 40 -25.300 24.825 5.554 1.00 0.00 C ATOM 639 CE1 PHE A 40 -22.674 25.713 5.169 1.00 0.00 C ATOM 640 CE2 PHE A 40 -24.264 23.897 5.388 1.00 0.00 C ATOM 641 CZ PHE A 40 -22.952 24.342 5.194 1.00 0.00 C ATOM 0 HA PHE A 40 -26.382 27.251 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.870 27.902 6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.040 26.677 6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -23.494 27.697 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -26.313 24.482 5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -21.661 26.056 5.020 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -24.478 22.839 5.410 1.00 0.00 H new ATOM 0 HZ PHE A 40 -22.153 23.627 5.063 1.00 0.00 H new ATOM 651 N ILE A 41 -28.553 28.557 3.400 1.00 0.00 N ATOM 652 CA ILE A 41 -29.932 29.145 3.427 1.00 0.00 C ATOM 653 C ILE A 41 -30.945 28.060 3.814 1.00 0.00 C ATOM 654 O ILE A 41 -31.265 27.172 3.021 1.00 0.00 O ATOM 655 CB ILE A 41 -30.290 29.718 2.051 1.00 0.00 C ATOM 656 CG1 ILE A 41 -29.047 30.374 1.428 1.00 0.00 C ATOM 657 CG2 ILE A 41 -31.399 30.762 2.217 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.459 31.348 0.324 1.00 0.00 C ATOM 0 H ILE A 41 -28.261 28.170 2.503 1.00 0.00 H new ATOM 0 HA ILE A 41 -29.961 29.949 4.162 1.00 0.00 H new ATOM 0 HB ILE A 41 -30.637 28.918 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -28.482 30.902 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -28.389 29.607 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -31.659 31.174 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -32.278 30.292 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -31.050 31.563 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -28.569 31.805 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -30.004 30.810 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -30.098 32.125 0.744 1.00 0.00 H new ATOM 670 N THR A 42 -31.453 28.107 5.018 1.00 0.00 N ATOM 671 CA THR A 42 -32.442 27.071 5.462 1.00 0.00 C ATOM 672 C THR A 42 -33.839 27.692 5.595 1.00 0.00 C ATOM 673 O THR A 42 -34.044 28.645 6.344 1.00 0.00 O ATOM 674 CB THR A 42 -32.012 26.497 6.820 1.00 0.00 C ATOM 675 OG1 THR A 42 -30.719 25.922 6.704 1.00 0.00 O ATOM 676 CG2 THR A 42 -32.995 25.415 7.264 1.00 0.00 C ATOM 0 H THR A 42 -31.228 28.817 5.715 1.00 0.00 H new ATOM 0 HA THR A 42 -32.474 26.275 4.718 1.00 0.00 H new ATOM 0 HB THR A 42 -31.998 27.302 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 42 -30.444 25.557 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 42 -32.683 25.013 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 42 -33.992 25.845 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 42 -33.012 24.614 6.525 1.00 0.00 H new ATOM 684 N ALA A 43 -34.806 27.161 4.895 1.00 0.00 N ATOM 685 CA ALA A 43 -36.196 27.700 4.989 1.00 0.00 C ATOM 686 C ALA A 43 -37.067 26.702 5.768 1.00 0.00 C ATOM 687 O ALA A 43 -36.889 25.491 5.660 1.00 0.00 O ATOM 688 CB ALA A 43 -36.756 27.896 3.577 1.00 0.00 C ATOM 0 H ALA A 43 -34.693 26.372 4.258 1.00 0.00 H new ATOM 0 HA ALA A 43 -36.194 28.658 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -37.771 28.289 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -36.127 28.599 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -36.769 26.939 3.055 1.00 0.00 H new ATOM 694 N CYS A 44 -37.991 27.175 6.560 1.00 0.00 N ATOM 695 CA CYS A 44 -38.847 26.233 7.346 1.00 0.00 C ATOM 696 C CYS A 44 -40.289 26.754 7.421 1.00 0.00 C ATOM 697 O CYS A 44 -40.544 27.958 7.376 1.00 0.00 O ATOM 698 CB CYS A 44 -38.283 26.102 8.767 1.00 0.00 C ATOM 699 SG CYS A 44 -36.475 26.027 8.710 1.00 0.00 S ATOM 0 H CYS A 44 -38.191 28.166 6.698 1.00 0.00 H new ATOM 0 HA CYS A 44 -38.847 25.261 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -38.601 26.950 9.373 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.678 25.204 9.243 1.00 0.00 H new ATOM 0 HG CYS A 44 -36.066 24.950 9.313 1.00 0.00 H new ATOM 705 N ILE A 45 -41.238 25.867 7.550 1.00 0.00 N ATOM 706 CA ILE A 45 -42.664 26.300 7.654 1.00 0.00 C ATOM 707 C ILE A 45 -43.248 25.784 8.974 1.00 0.00 C ATOM 708 O ILE A 45 -42.958 24.666 9.406 1.00 0.00 O ATOM 709 CB ILE A 45 -43.469 25.749 6.467 1.00 0.00 C ATOM 710 CG1 ILE A 45 -44.836 26.431 6.423 1.00 0.00 C ATOM 711 CG2 ILE A 45 -43.672 24.242 6.618 1.00 0.00 C ATOM 712 CD1 ILE A 45 -45.459 26.235 5.041 1.00 0.00 C ATOM 0 H ILE A 45 -41.089 24.859 7.588 1.00 0.00 H new ATOM 0 HA ILE A 45 -42.719 27.388 7.633 1.00 0.00 H new ATOM 0 HB ILE A 45 -42.919 25.947 5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -45.488 26.013 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -44.731 27.494 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -44.244 23.865 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -42.702 23.746 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -44.215 24.039 7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -46.434 26.721 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -44.810 26.674 4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.578 25.170 4.843 1.00 0.00 H new ATOM 724 N VAL A 46 -44.055 26.574 9.626 1.00 0.00 N ATOM 725 CA VAL A 46 -44.649 26.129 10.920 1.00 0.00 C ATOM 726 C VAL A 46 -46.161 26.419 10.928 1.00 0.00 C ATOM 727 O VAL A 46 -46.636 27.344 11.585 1.00 0.00 O ATOM 728 CB VAL A 46 -43.939 26.843 12.084 1.00 0.00 C ATOM 729 CG1 VAL A 46 -44.216 28.349 12.043 1.00 0.00 C ATOM 730 CG2 VAL A 46 -44.443 26.275 13.410 1.00 0.00 C ATOM 0 H VAL A 46 -44.329 27.508 9.320 1.00 0.00 H new ATOM 0 HA VAL A 46 -44.510 25.054 11.040 1.00 0.00 H new ATOM 0 HB VAL A 46 -42.865 26.680 11.990 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -43.705 28.836 12.874 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -43.851 28.761 11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -45.289 28.524 12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -43.941 26.779 14.236 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -45.519 26.433 13.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.229 25.207 13.453 1.00 0.00 H new ATOM 740 N GLY A 47 -46.916 25.624 10.206 1.00 0.00 N ATOM 741 CA GLY A 47 -48.411 25.792 10.141 1.00 0.00 C ATOM 742 C GLY A 47 -48.818 27.263 9.989 1.00 0.00 C ATOM 743 O GLY A 47 -49.013 27.759 8.883 1.00 0.00 O ATOM 0 H GLY A 47 -46.555 24.850 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -48.804 25.219 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -48.861 25.383 11.045 1.00 0.00 H new ATOM 747 N SER A 48 -48.969 27.951 11.089 1.00 0.00 N ATOM 748 CA SER A 48 -49.386 29.390 11.068 1.00 0.00 C ATOM 749 C SER A 48 -48.620 30.200 10.010 1.00 0.00 C ATOM 750 O SER A 48 -49.208 31.030 9.318 1.00 0.00 O ATOM 751 CB SER A 48 -49.127 30.008 12.443 1.00 0.00 C ATOM 752 OG SER A 48 -49.871 29.297 13.429 1.00 0.00 O ATOM 0 H SER A 48 -48.818 27.570 12.023 1.00 0.00 H new ATOM 0 HA SER A 48 -50.446 29.423 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 48 -48.063 29.970 12.677 1.00 0.00 H new ATOM 0 HB3 SER A 48 -49.415 31.059 12.442 1.00 0.00 H new ATOM 0 HG SER A 48 -49.705 29.691 14.311 1.00 0.00 H new ATOM 758 N ILE A 49 -47.326 30.020 9.878 1.00 0.00 N ATOM 759 CA ILE A 49 -46.576 30.837 8.871 1.00 0.00 C ATOM 760 C ILE A 49 -45.299 30.127 8.392 1.00 0.00 C ATOM 761 O ILE A 49 -44.930 29.053 8.871 1.00 0.00 O ATOM 762 CB ILE A 49 -46.181 32.187 9.494 1.00 0.00 C ATOM 763 CG1 ILE A 49 -46.304 32.140 11.022 1.00 0.00 C ATOM 764 CG2 ILE A 49 -47.091 33.291 8.954 1.00 0.00 C ATOM 765 CD1 ILE A 49 -45.438 33.244 11.633 1.00 0.00 C ATOM 0 H ILE A 49 -46.766 29.356 10.413 1.00 0.00 H new ATOM 0 HA ILE A 49 -47.233 30.982 8.013 1.00 0.00 H new ATOM 0 HB ILE A 49 -45.144 32.394 9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -47.344 32.272 11.319 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -45.987 31.166 11.394 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -46.808 34.245 9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -46.988 33.350 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -48.127 33.066 9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -45.523 33.214 12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -44.398 33.091 11.346 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -45.776 34.215 11.270 1.00 0.00 H new ATOM 777 N VAL A 50 -44.608 30.736 7.460 1.00 0.00 N ATOM 778 CA VAL A 50 -43.334 30.152 6.930 1.00 0.00 C ATOM 779 C VAL A 50 -42.195 31.147 7.191 1.00 0.00 C ATOM 780 O VAL A 50 -42.402 32.360 7.187 1.00 0.00 O ATOM 781 CB VAL A 50 -43.444 29.909 5.417 1.00 0.00 C ATOM 782 CG1 VAL A 50 -42.529 28.753 5.017 1.00 0.00 C ATOM 783 CG2 VAL A 50 -44.885 29.556 5.035 1.00 0.00 C ATOM 0 H VAL A 50 -44.875 31.625 7.038 1.00 0.00 H new ATOM 0 HA VAL A 50 -43.140 29.202 7.428 1.00 0.00 H new ATOM 0 HB VAL A 50 -43.147 30.820 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -42.608 28.581 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -41.498 29.001 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -42.827 27.851 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -44.945 29.387 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -45.190 28.652 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -45.546 30.377 5.311 1.00 0.00 H new ATOM 793 N THR A 51 -41.002 30.666 7.411 1.00 0.00 N ATOM 794 CA THR A 51 -39.856 31.596 7.676 1.00 0.00 C ATOM 795 C THR A 51 -38.544 30.973 7.187 1.00 0.00 C ATOM 796 O THR A 51 -38.327 29.768 7.299 1.00 0.00 O ATOM 797 CB THR A 51 -39.749 31.866 9.183 1.00 0.00 C ATOM 798 OG1 THR A 51 -41.046 32.078 9.722 1.00 0.00 O ATOM 799 CG2 THR A 51 -38.896 33.111 9.425 1.00 0.00 C ATOM 0 H THR A 51 -40.767 29.674 7.420 1.00 0.00 H new ATOM 0 HA THR A 51 -40.033 32.530 7.142 1.00 0.00 H new ATOM 0 HB THR A 51 -39.286 31.007 9.668 1.00 0.00 H new ATOM 0 HG1 THR A 51 -40.976 32.249 10.684 1.00 0.00 H new ATOM 0 HG21 THR A 51 -38.823 33.299 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 51 -37.898 32.954 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 51 -39.358 33.969 8.937 1.00 0.00 H new ATOM 807 N GLU A 52 -37.657 31.772 6.658 1.00 0.00 N ATOM 808 CA GLU A 52 -36.353 31.229 6.174 1.00 0.00 C ATOM 809 C GLU A 52 -35.216 31.730 7.081 1.00 0.00 C ATOM 810 O GLU A 52 -35.409 32.608 7.923 1.00 0.00 O ATOM 811 CB GLU A 52 -36.116 31.679 4.727 1.00 0.00 C ATOM 812 CG GLU A 52 -35.934 33.202 4.672 1.00 0.00 C ATOM 813 CD GLU A 52 -35.503 33.619 3.267 1.00 0.00 C ATOM 814 OE1 GLU A 52 -34.310 33.623 3.013 1.00 0.00 O ATOM 815 OE2 GLU A 52 -36.373 33.924 2.471 1.00 0.00 O ATOM 0 H GLU A 52 -37.778 32.778 6.540 1.00 0.00 H new ATOM 0 HA GLU A 52 -36.376 30.140 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -35.232 31.184 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -36.959 31.383 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -36.866 33.699 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -35.186 33.515 5.400 1.00 0.00 H new ATOM 822 N GLY A 53 -34.038 31.180 6.939 1.00 0.00 N ATOM 823 CA GLY A 53 -32.899 31.620 7.805 1.00 0.00 C ATOM 824 C GLY A 53 -31.566 31.396 7.090 1.00 0.00 C ATOM 825 O GLY A 53 -31.091 30.266 6.963 1.00 0.00 O ATOM 0 H GLY A 53 -33.814 30.448 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -33.011 32.675 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.913 31.066 8.744 1.00 0.00 H new ATOM 829 N GLU A 54 -30.947 32.451 6.632 1.00 0.00 N ATOM 830 CA GLU A 54 -29.632 32.312 5.937 1.00 0.00 C ATOM 831 C GLU A 54 -28.507 32.297 6.983 1.00 0.00 C ATOM 832 O GLU A 54 -27.826 33.296 7.218 1.00 0.00 O ATOM 833 CB GLU A 54 -29.439 33.484 4.966 1.00 0.00 C ATOM 834 CG GLU A 54 -29.013 32.943 3.594 1.00 0.00 C ATOM 835 CD GLU A 54 -27.508 32.681 3.577 1.00 0.00 C ATOM 836 OE1 GLU A 54 -27.109 31.590 3.944 1.00 0.00 O ATOM 837 OE2 GLU A 54 -26.779 33.573 3.186 1.00 0.00 O ATOM 0 H GLU A 54 -31.296 33.406 6.709 1.00 0.00 H new ATOM 0 HA GLU A 54 -29.608 31.380 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -30.365 34.051 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -28.683 34.169 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -29.553 32.022 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -29.274 33.659 2.815 1.00 0.00 H new ATOM 844 N GLY A 55 -28.312 31.181 7.633 1.00 0.00 N ATOM 845 CA GLY A 55 -27.238 31.091 8.675 1.00 0.00 C ATOM 846 C GLY A 55 -25.935 30.590 8.041 1.00 0.00 C ATOM 847 O GLY A 55 -25.931 30.023 6.955 1.00 0.00 O ATOM 0 H GLY A 55 -28.848 30.325 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -27.078 32.068 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.548 30.415 9.472 1.00 0.00 H new ATOM 943 N LYS A 62 -29.095 25.749 9.832 1.00 0.00 N ATOM 944 CA LYS A 62 -30.074 24.719 10.309 1.00 0.00 C ATOM 945 C LYS A 62 -30.509 25.019 11.753 1.00 0.00 C ATOM 946 O LYS A 62 -31.645 24.748 12.141 1.00 0.00 O ATOM 947 CB LYS A 62 -29.420 23.332 10.241 1.00 0.00 C ATOM 948 CG LYS A 62 -29.965 22.564 9.031 1.00 0.00 C ATOM 949 CD LYS A 62 -28.813 22.225 8.075 1.00 0.00 C ATOM 950 CE LYS A 62 -29.346 22.120 6.645 1.00 0.00 C ATOM 951 NZ LYS A 62 -28.961 20.799 6.071 1.00 0.00 N ATOM 0 HA LYS A 62 -30.957 24.743 9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -28.338 23.433 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -29.623 22.778 11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -30.459 21.650 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -30.715 23.163 8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -28.043 22.994 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -28.347 21.285 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -30.430 22.229 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -28.941 22.927 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -29.202 20.777 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -27.938 20.655 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -29.475 20.042 6.566 1.00 0.00 H new ATOM 965 N LYS A 63 -29.635 25.572 12.554 1.00 0.00 N ATOM 966 CA LYS A 63 -30.008 25.890 13.963 1.00 0.00 C ATOM 967 C LYS A 63 -30.739 27.242 14.014 1.00 0.00 C ATOM 968 O LYS A 63 -31.886 27.319 14.439 1.00 0.00 O ATOM 969 CB LYS A 63 -28.741 25.949 14.828 1.00 0.00 C ATOM 970 CG LYS A 63 -29.020 26.766 16.094 1.00 0.00 C ATOM 971 CD LYS A 63 -28.175 26.236 17.254 1.00 0.00 C ATOM 972 CE LYS A 63 -27.175 27.308 17.694 1.00 0.00 C ATOM 973 NZ LYS A 63 -27.915 28.473 18.266 1.00 0.00 N ATOM 0 H LYS A 63 -28.680 25.817 12.293 1.00 0.00 H new ATOM 0 HA LYS A 63 -30.670 25.113 14.347 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -28.424 24.941 15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -27.924 26.400 14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -28.791 27.817 15.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -30.078 26.709 16.348 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -28.819 25.960 18.089 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -27.645 25.334 16.948 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.490 26.899 18.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.571 27.628 16.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -27.246 29.107 18.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -28.393 28.990 17.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.622 28.134 18.949 1.00 0.00 H new ATOM 987 N ARG A 64 -30.092 28.301 13.593 1.00 0.00 N ATOM 988 CA ARG A 64 -30.730 29.657 13.622 1.00 0.00 C ATOM 989 C ARG A 64 -32.115 29.621 12.959 1.00 0.00 C ATOM 990 O ARG A 64 -33.077 30.200 13.471 1.00 0.00 O ATOM 991 CB ARG A 64 -29.828 30.651 12.881 1.00 0.00 C ATOM 992 CG ARG A 64 -30.268 32.084 13.197 1.00 0.00 C ATOM 993 CD ARG A 64 -29.793 32.467 14.600 1.00 0.00 C ATOM 994 NE ARG A 64 -29.932 33.945 14.778 1.00 0.00 N ATOM 995 CZ ARG A 64 -28.943 34.644 15.223 1.00 0.00 C ATOM 996 NH1 ARG A 64 -28.681 34.653 16.484 1.00 0.00 N ATOM 997 NH2 ARG A 64 -28.220 35.326 14.402 1.00 0.00 N ATOM 0 H ARG A 64 -29.140 28.285 13.227 1.00 0.00 H new ATOM 0 HA ARG A 64 -30.855 29.968 14.659 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -28.789 30.506 13.178 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -29.880 30.473 11.807 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -29.854 32.773 12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -31.353 32.164 13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -30.381 31.941 15.352 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -28.754 32.168 14.740 1.00 0.00 H new ATOM 0 HE ARG A 64 -30.813 34.403 14.546 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -29.255 34.108 17.128 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -27.900 35.205 16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -28.431 35.312 13.404 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -27.437 35.880 14.750 1.00 0.00 H new ATOM 1011 N ALA A 65 -32.243 28.957 11.838 1.00 0.00 N ATOM 1012 CA ALA A 65 -33.571 28.887 11.160 1.00 0.00 C ATOM 1013 C ALA A 65 -34.595 28.253 12.120 1.00 0.00 C ATOM 1014 O ALA A 65 -35.699 28.766 12.314 1.00 0.00 O ATOM 1015 CB ALA A 65 -33.449 28.036 9.892 1.00 0.00 C ATOM 0 H ALA A 65 -31.487 28.462 11.365 1.00 0.00 H new ATOM 0 HA ALA A 65 -33.903 29.889 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -34.418 27.983 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -32.720 28.488 9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -33.123 27.031 10.158 1.00 0.00 H new ATOM 1021 N ALA A 66 -34.238 27.151 12.734 1.00 0.00 N ATOM 1022 CA ALA A 66 -35.170 26.478 13.689 1.00 0.00 C ATOM 1023 C ALA A 66 -35.360 27.343 14.948 1.00 0.00 C ATOM 1024 O ALA A 66 -36.481 27.537 15.410 1.00 0.00 O ATOM 1025 CB ALA A 66 -34.594 25.112 14.077 1.00 0.00 C ATOM 0 H ALA A 66 -33.337 26.688 12.613 1.00 0.00 H new ATOM 0 HA ALA A 66 -36.140 26.344 13.210 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -35.270 24.617 14.774 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -34.480 24.498 13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -33.622 25.248 14.550 1.00 0.00 H new ATOM 1031 N GLU A 67 -34.296 27.863 15.509 1.00 0.00 N ATOM 1032 CA GLU A 67 -34.421 28.716 16.737 1.00 0.00 C ATOM 1033 C GLU A 67 -35.432 29.845 16.486 1.00 0.00 C ATOM 1034 O GLU A 67 -36.337 30.083 17.289 1.00 0.00 O ATOM 1035 CB GLU A 67 -33.048 29.307 17.090 1.00 0.00 C ATOM 1036 CG GLU A 67 -32.086 28.171 17.478 1.00 0.00 C ATOM 1037 CD GLU A 67 -30.744 28.733 17.952 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -30.106 29.455 17.196 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -30.347 28.401 19.057 1.00 0.00 O ATOM 0 H GLU A 67 -33.343 27.734 15.170 1.00 0.00 H new ATOM 0 HA GLU A 67 -34.774 28.106 17.569 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -32.649 29.861 16.240 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -33.145 30.013 17.914 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -32.531 27.565 18.268 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -31.928 27.514 16.623 1.00 0.00 H new ATOM 1046 N LYS A 68 -35.309 30.534 15.381 1.00 0.00 N ATOM 1047 CA LYS A 68 -36.274 31.637 15.072 1.00 0.00 C ATOM 1048 C LYS A 68 -37.701 31.070 15.005 1.00 0.00 C ATOM 1049 O LYS A 68 -38.643 31.663 15.527 1.00 0.00 O ATOM 1050 CB LYS A 68 -35.907 32.286 13.731 1.00 0.00 C ATOM 1051 CG LYS A 68 -35.521 33.752 13.962 1.00 0.00 C ATOM 1052 CD LYS A 68 -36.753 34.647 13.771 1.00 0.00 C ATOM 1053 CE LYS A 68 -37.570 34.699 15.065 1.00 0.00 C ATOM 1054 NZ LYS A 68 -38.710 35.643 14.890 1.00 0.00 N ATOM 0 H LYS A 68 -34.584 30.383 14.679 1.00 0.00 H new ATOM 0 HA LYS A 68 -36.224 32.391 15.858 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -35.078 31.749 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -36.750 32.225 13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -35.120 33.878 14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -34.735 34.045 13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -36.442 35.652 13.488 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -37.369 34.263 12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -37.941 33.705 15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -36.940 35.021 15.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -39.377 35.532 15.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -38.353 36.620 14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -39.197 35.437 13.994 1.00 0.00 H new ATOM 1068 N MET A 69 -37.878 29.930 14.388 1.00 0.00 N ATOM 1069 CA MET A 69 -39.242 29.322 14.305 1.00 0.00 C ATOM 1070 C MET A 69 -39.696 28.882 15.707 1.00 0.00 C ATOM 1071 O MET A 69 -40.862 29.028 16.073 1.00 0.00 O ATOM 1072 CB MET A 69 -39.197 28.108 13.371 1.00 0.00 C ATOM 1073 CG MET A 69 -40.429 28.105 12.463 1.00 0.00 C ATOM 1074 SD MET A 69 -39.925 28.537 10.780 1.00 0.00 S ATOM 1075 CE MET A 69 -41.560 29.000 10.162 1.00 0.00 C ATOM 0 H MET A 69 -37.137 29.393 13.938 1.00 0.00 H new ATOM 0 HA MET A 69 -39.947 30.055 13.915 1.00 0.00 H new ATOM 0 HB2 MET A 69 -38.290 28.136 12.768 1.00 0.00 H new ATOM 0 HB3 MET A 69 -39.163 27.189 13.956 1.00 0.00 H new ATOM 0 HG2 MET A 69 -40.902 27.123 12.474 1.00 0.00 H new ATOM 0 HG3 MET A 69 -41.168 28.818 12.829 1.00 0.00 H new ATOM 0 HE1 MET A 69 -41.476 29.341 9.130 1.00 0.00 H new ATOM 0 HE2 MET A 69 -42.224 28.136 10.206 1.00 0.00 H new ATOM 0 HE3 MET A 69 -41.967 29.803 10.777 1.00 0.00 H new ATOM 1085 N LEU A 70 -38.794 28.347 16.492 1.00 0.00 N ATOM 1086 CA LEU A 70 -39.152 27.889 17.872 1.00 0.00 C ATOM 1087 C LEU A 70 -39.818 29.029 18.653 1.00 0.00 C ATOM 1088 O LEU A 70 -40.913 28.871 19.191 1.00 0.00 O ATOM 1089 CB LEU A 70 -37.880 27.439 18.600 1.00 0.00 C ATOM 1090 CG LEU A 70 -37.462 26.055 18.100 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -36.184 25.624 18.813 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -38.568 25.044 18.400 1.00 0.00 C ATOM 0 H LEU A 70 -37.817 28.206 16.235 1.00 0.00 H new ATOM 0 HA LEU A 70 -39.852 27.056 17.803 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -37.078 28.156 18.427 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -38.056 27.410 19.675 1.00 0.00 H new ATOM 0 HG LEU A 70 -37.289 26.098 17.025 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -35.884 24.638 18.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -35.391 26.342 18.603 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -36.363 25.584 19.888 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -38.267 24.059 18.043 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -38.741 25.003 19.475 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -39.485 25.348 17.896 1.00 0.00 H new ATOM 1104 N VAL A 71 -39.189 30.174 18.726 1.00 0.00 N ATOM 1105 CA VAL A 71 -39.802 31.320 19.470 1.00 0.00 C ATOM 1106 C VAL A 71 -41.111 31.746 18.779 1.00 0.00 C ATOM 1107 O VAL A 71 -42.066 32.165 19.433 1.00 0.00 O ATOM 1108 CB VAL A 71 -38.812 32.498 19.517 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -38.490 32.979 18.101 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -39.427 33.652 20.310 1.00 0.00 C ATOM 0 H VAL A 71 -38.280 30.367 18.305 1.00 0.00 H new ATOM 0 HA VAL A 71 -40.028 31.012 20.491 1.00 0.00 H new ATOM 0 HB VAL A 71 -37.893 32.164 19.999 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -37.789 33.812 18.150 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -38.044 32.163 17.532 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -39.407 33.305 17.610 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -38.725 34.486 20.343 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -40.350 33.973 19.828 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -39.644 33.321 21.325 1.00 0.00 H new ATOM 1120 N GLU A 72 -41.173 31.637 17.476 1.00 0.00 N ATOM 1121 CA GLU A 72 -42.412 32.025 16.738 1.00 0.00 C ATOM 1122 C GLU A 72 -43.567 31.068 17.097 1.00 0.00 C ATOM 1123 O GLU A 72 -44.598 31.490 17.623 1.00 0.00 O ATOM 1124 CB GLU A 72 -42.131 31.977 15.227 1.00 0.00 C ATOM 1125 CG GLU A 72 -42.443 33.345 14.598 1.00 0.00 C ATOM 1126 CD GLU A 72 -41.210 34.253 14.664 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -40.977 34.842 15.710 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -40.514 34.355 13.664 1.00 0.00 O ATOM 0 H GLU A 72 -40.413 31.294 16.889 1.00 0.00 H new ATOM 0 HA GLU A 72 -42.704 33.036 17.022 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -41.088 31.714 15.049 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -42.739 31.203 14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -42.752 33.214 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -43.276 33.813 15.122 1.00 0.00 H new ATOM 1135 N LEU A 73 -43.425 29.790 16.832 1.00 0.00 N ATOM 1136 CA LEU A 73 -44.532 28.828 17.162 1.00 0.00 C ATOM 1137 C LEU A 73 -44.774 28.758 18.683 1.00 0.00 C ATOM 1138 O LEU A 73 -45.877 28.449 19.132 1.00 0.00 O ATOM 1139 CB LEU A 73 -44.191 27.432 16.627 1.00 0.00 C ATOM 1140 CG LEU A 73 -42.871 26.941 17.220 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -43.146 25.828 18.225 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -42.001 26.397 16.098 1.00 0.00 C ATOM 0 H LEU A 73 -42.598 29.372 16.405 1.00 0.00 H new ATOM 0 HA LEU A 73 -45.444 29.187 16.686 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -44.991 26.735 16.877 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -44.120 27.460 15.540 1.00 0.00 H new ATOM 0 HG LEU A 73 -42.364 27.765 17.722 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -42.204 25.478 18.647 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -43.783 26.208 19.024 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -43.648 25.001 17.723 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -41.056 26.043 16.509 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -42.515 25.570 15.607 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -41.808 27.187 15.372 1.00 0.00 H new ATOM 1154 N GLN A 74 -43.776 29.031 19.485 1.00 0.00 N ATOM 1155 CA GLN A 74 -43.971 28.970 20.970 1.00 0.00 C ATOM 1156 C GLN A 74 -44.579 30.281 21.495 1.00 0.00 C ATOM 1157 O GLN A 74 -45.032 30.352 22.636 1.00 0.00 O ATOM 1158 CB GLN A 74 -42.623 28.724 21.652 1.00 0.00 C ATOM 1159 CG GLN A 74 -42.185 27.279 21.397 1.00 0.00 C ATOM 1160 CD GLN A 74 -40.876 26.995 22.129 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -40.815 26.120 22.980 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -39.819 27.688 21.843 1.00 0.00 N ATOM 0 H GLN A 74 -42.838 29.292 19.180 1.00 0.00 H new ATOM 0 HA GLN A 74 -44.657 28.154 21.197 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -41.875 29.417 21.266 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -42.705 28.908 22.723 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -42.958 26.590 21.737 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -42.057 27.112 20.327 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -39.865 28.419 21.133 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -38.941 27.502 22.327 1.00 0.00 H new ATOM 1171 N LYS A 75 -44.602 31.316 20.698 1.00 0.00 N ATOM 1172 CA LYS A 75 -45.186 32.606 21.167 1.00 0.00 C ATOM 1173 C LYS A 75 -46.600 32.785 20.591 1.00 0.00 C ATOM 1174 O LYS A 75 -47.428 33.472 21.188 1.00 0.00 O ATOM 1175 CB LYS A 75 -44.291 33.763 20.708 1.00 0.00 C ATOM 1176 CG LYS A 75 -44.801 35.079 21.309 1.00 0.00 C ATOM 1177 CD LYS A 75 -45.139 36.064 20.183 1.00 0.00 C ATOM 1178 CE LYS A 75 -46.436 35.643 19.478 1.00 0.00 C ATOM 1179 NZ LYS A 75 -47.580 35.692 20.438 1.00 0.00 N ATOM 0 H LYS A 75 -44.242 31.324 19.744 1.00 0.00 H new ATOM 0 HA LYS A 75 -45.247 32.599 22.255 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -43.261 33.585 21.019 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -44.290 33.825 19.620 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -45.684 34.893 21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -44.044 35.508 21.966 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -45.248 37.069 20.591 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -44.321 36.099 19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -46.631 36.304 18.633 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -46.331 34.635 19.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -48.476 35.657 19.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -47.526 34.879 21.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -47.535 36.574 20.987 1.00 0.00 H new ATOM 1193 N LEU A 76 -46.878 32.173 19.458 1.00 0.00 N ATOM 1194 CA LEU A 76 -48.206 32.265 18.803 1.00 0.00 C ATOM 1195 C LEU A 76 -48.630 33.741 18.599 1.00 0.00 C ATOM 1196 O LEU A 76 -49.396 34.265 19.401 1.00 0.00 O ATOM 1197 CB LEU A 76 -49.203 31.503 19.660 1.00 0.00 C ATOM 1198 CG LEU A 76 -49.450 30.113 19.065 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -50.221 29.257 20.067 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -50.273 30.240 17.786 1.00 0.00 C ATOM 1201 OXT LEU A 76 -48.169 34.334 17.638 1.00 0.00 O ATOM 0 H LEU A 76 -46.206 31.596 18.952 1.00 0.00 H new ATOM 0 HA LEU A 76 -48.167 31.822 17.808 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -48.824 31.410 20.678 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -50.141 32.055 19.719 1.00 0.00 H new ATOM 0 HG LEU A 76 -48.491 29.646 18.841 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -50.396 28.269 19.642 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -49.641 29.160 20.985 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -51.177 29.730 20.290 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -50.447 29.250 17.365 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -51.229 30.710 18.014 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -49.731 30.851 17.064 1.00 0.00 H new