USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 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 Single : A 11 SER OG : rot 180:sc= 0.136 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.57! C(o=-1.6!,f=-7.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.833 K(o=0.83,f=-0.088) USER MOD Single : A 22 MET CE :methyl -139:sc= -0.536 (180deg=-1.04) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 25 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 44 CYS SG : rot 17:sc= -3.3! USER MOD Single : A 48 SER OG : rot -46:sc= 1.02 USER MOD Single : A 51 THR OG1 : rot -124:sc= 0.335 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.942 (180deg=-1.35) USER MOD Single : A 69 MET CE :methyl 168:sc= -6.6! (180deg=-7.87!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 0.62 (180deg=0.418) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -35.174 19.741 20.436 1.00 0.00 N ATOM 122 CA PRO A 9 -36.428 20.510 20.279 1.00 0.00 C ATOM 123 C PRO A 9 -37.171 20.069 19.014 1.00 0.00 C ATOM 124 O PRO A 9 -38.398 19.977 18.995 1.00 0.00 O ATOM 125 CB PRO A 9 -35.948 21.964 20.187 1.00 0.00 C ATOM 126 CG PRO A 9 -34.468 21.906 19.749 1.00 0.00 C ATOM 127 CD PRO A 9 -33.948 20.515 20.144 1.00 0.00 C ATOM 0 HA PRO A 9 -37.135 20.363 21.095 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -36.544 22.525 19.468 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -36.049 22.468 21.148 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -34.375 22.064 18.674 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -33.888 22.689 20.237 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -33.372 20.061 19.337 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -33.293 20.567 21.013 1.00 0.00 H new ATOM 135 N ILE A 10 -36.450 19.771 17.963 1.00 0.00 N ATOM 136 CA ILE A 10 -37.103 19.313 16.698 1.00 0.00 C ATOM 137 C ILE A 10 -38.065 18.150 17.000 1.00 0.00 C ATOM 138 O ILE A 10 -39.151 18.075 16.438 1.00 0.00 O ATOM 139 CB ILE A 10 -36.027 18.858 15.701 1.00 0.00 C ATOM 140 CG1 ILE A 10 -35.101 20.032 15.371 1.00 0.00 C ATOM 141 CG2 ILE A 10 -36.688 18.376 14.410 1.00 0.00 C ATOM 142 CD1 ILE A 10 -33.646 19.579 15.481 1.00 0.00 C ATOM 0 H ILE A 10 -35.432 19.825 17.926 1.00 0.00 H new ATOM 0 HA ILE A 10 -37.669 20.137 16.264 1.00 0.00 H new ATOM 0 HB ILE A 10 -35.453 18.046 16.147 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.304 20.398 14.364 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -35.288 20.860 16.055 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -35.920 18.054 13.706 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -37.351 17.540 14.631 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -37.265 19.190 13.971 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -32.986 20.414 15.246 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -33.448 19.234 16.496 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -33.464 18.765 14.779 1.00 0.00 H new ATOM 154 N SER A 11 -37.697 17.252 17.885 1.00 0.00 N ATOM 155 CA SER A 11 -38.607 16.107 18.226 1.00 0.00 C ATOM 156 C SER A 11 -39.944 16.656 18.733 1.00 0.00 C ATOM 157 O SER A 11 -40.980 16.492 18.091 1.00 0.00 O ATOM 158 CB SER A 11 -37.970 15.229 19.314 1.00 0.00 C ATOM 159 OG SER A 11 -36.751 15.826 19.763 1.00 0.00 O ATOM 0 H SER A 11 -36.808 17.261 18.385 1.00 0.00 H new ATOM 0 HA SER A 11 -38.769 15.503 17.333 1.00 0.00 H new ATOM 0 HB2 SER A 11 -38.659 15.113 20.151 1.00 0.00 H new ATOM 0 HB3 SER A 11 -37.774 14.231 18.921 1.00 0.00 H new ATOM 0 HG SER A 11 -36.348 15.264 20.458 1.00 0.00 H new ATOM 165 N GLN A 12 -39.938 17.323 19.860 1.00 0.00 N ATOM 166 CA GLN A 12 -41.207 17.897 20.404 1.00 0.00 C ATOM 167 C GLN A 12 -41.829 18.845 19.367 1.00 0.00 C ATOM 168 O GLN A 12 -43.048 18.930 19.243 1.00 0.00 O ATOM 169 CB GLN A 12 -40.914 18.637 21.713 1.00 0.00 C ATOM 170 CG GLN A 12 -40.522 17.609 22.788 1.00 0.00 C ATOM 171 CD GLN A 12 -40.492 18.273 24.165 1.00 0.00 C ATOM 172 OE1 GLN A 12 -39.510 18.906 24.537 1.00 0.00 O ATOM 173 NE2 GLN A 12 -41.515 18.152 24.953 1.00 0.00 N ATOM 0 H GLN A 12 -39.108 17.495 20.427 1.00 0.00 H new ATOM 0 HA GLN A 12 -41.917 17.096 20.610 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -40.108 19.356 21.567 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -41.791 19.201 22.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -41.234 16.783 22.789 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -39.544 17.186 22.558 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -42.334 17.626 24.648 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -41.500 18.582 25.878 1.00 0.00 H new ATOM 182 N VAL A 13 -41.025 19.538 18.598 1.00 0.00 N ATOM 183 CA VAL A 13 -41.594 20.442 17.550 1.00 0.00 C ATOM 184 C VAL A 13 -42.322 19.583 16.509 1.00 0.00 C ATOM 185 O VAL A 13 -43.390 19.945 16.023 1.00 0.00 O ATOM 186 CB VAL A 13 -40.467 21.239 16.875 1.00 0.00 C ATOM 187 CG1 VAL A 13 -41.006 21.959 15.639 1.00 0.00 C ATOM 188 CG2 VAL A 13 -39.916 22.278 17.849 1.00 0.00 C ATOM 0 H VAL A 13 -40.007 19.518 18.650 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.291 21.146 18.006 1.00 0.00 H new ATOM 0 HB VAL A 13 -39.676 20.549 16.582 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -40.201 22.522 15.166 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -41.400 21.227 14.934 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -41.802 22.643 15.934 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -39.117 22.841 17.367 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -40.714 22.960 18.143 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -39.523 21.776 18.733 1.00 0.00 H new ATOM 198 N HIS A 14 -41.776 18.441 16.178 1.00 0.00 N ATOM 199 CA HIS A 14 -42.447 17.542 15.197 1.00 0.00 C ATOM 200 C HIS A 14 -43.721 16.984 15.843 1.00 0.00 C ATOM 201 O HIS A 14 -44.804 17.025 15.256 1.00 0.00 O ATOM 202 CB HIS A 14 -41.500 16.392 14.831 1.00 0.00 C ATOM 203 CG HIS A 14 -40.646 16.794 13.663 1.00 0.00 C ATOM 204 ND1 HIS A 14 -40.683 16.123 12.454 1.00 0.00 N ATOM 205 CD2 HIS A 14 -39.723 17.795 13.506 1.00 0.00 C ATOM 206 CE1 HIS A 14 -39.805 16.724 11.629 1.00 0.00 C ATOM 207 NE2 HIS A 14 -39.193 17.749 12.222 1.00 0.00 N ATOM 0 H HIS A 14 -40.891 18.093 16.547 1.00 0.00 H new ATOM 0 HA HIS A 14 -42.702 18.092 14.291 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -40.871 16.140 15.685 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -42.074 15.499 14.584 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -39.449 18.512 14.266 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -39.619 16.414 10.611 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -38.488 18.367 11.820 1.00 0.00 H new ATOM 215 N GLU A 15 -43.612 16.482 17.049 1.00 0.00 N ATOM 216 CA GLU A 15 -44.809 15.933 17.761 1.00 0.00 C ATOM 217 C GLU A 15 -45.874 17.030 17.897 1.00 0.00 C ATOM 218 O GLU A 15 -47.043 16.829 17.562 1.00 0.00 O ATOM 219 CB GLU A 15 -44.395 15.446 19.155 1.00 0.00 C ATOM 220 CG GLU A 15 -43.319 14.362 19.027 1.00 0.00 C ATOM 221 CD GLU A 15 -42.707 14.077 20.395 1.00 0.00 C ATOM 222 OE1 GLU A 15 -41.897 14.872 20.842 1.00 0.00 O ATOM 223 OE2 GLU A 15 -43.061 13.072 20.974 1.00 0.00 O ATOM 0 H GLU A 15 -42.739 16.429 17.574 1.00 0.00 H new ATOM 0 HA GLU A 15 -45.219 15.099 17.191 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -44.015 16.281 19.744 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -45.262 15.050 19.685 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -43.755 13.451 18.616 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -42.544 14.686 18.332 1.00 0.00 H new ATOM 230 N ILE A 16 -45.493 18.196 18.359 1.00 0.00 N ATOM 231 CA ILE A 16 -46.483 19.309 18.487 1.00 0.00 C ATOM 232 C ILE A 16 -46.865 19.786 17.081 1.00 0.00 C ATOM 233 O ILE A 16 -47.998 20.199 16.831 1.00 0.00 O ATOM 234 CB ILE A 16 -45.862 20.464 19.281 1.00 0.00 C ATOM 235 CG1 ILE A 16 -45.559 20.000 20.707 1.00 0.00 C ATOM 236 CG2 ILE A 16 -46.838 21.642 19.336 1.00 0.00 C ATOM 237 CD1 ILE A 16 -44.608 20.994 21.372 1.00 0.00 C ATOM 0 H ILE A 16 -44.543 18.424 18.652 1.00 0.00 H new ATOM 0 HA ILE A 16 -47.372 18.961 19.014 1.00 0.00 H new ATOM 0 HB ILE A 16 -44.941 20.777 18.790 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -46.483 19.924 21.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -45.111 19.006 20.691 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -46.390 22.459 19.902 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -47.058 21.980 18.323 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -47.761 21.327 19.822 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -44.391 20.665 22.388 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -43.681 21.047 20.802 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -45.073 21.979 21.401 1.00 0.00 H new ATOM 249 N GLY A 17 -45.936 19.721 16.157 1.00 0.00 N ATOM 250 CA GLY A 17 -46.215 20.147 14.752 1.00 0.00 C ATOM 251 C GLY A 17 -47.485 19.457 14.243 1.00 0.00 C ATOM 252 O GLY A 17 -48.326 20.079 13.604 1.00 0.00 O ATOM 0 H GLY A 17 -44.986 19.387 16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -46.335 21.229 14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -45.371 19.894 14.111 1.00 0.00 H new ATOM 256 N ILE A 18 -47.660 18.194 14.529 1.00 0.00 N ATOM 257 CA ILE A 18 -48.890 17.491 14.082 1.00 0.00 C ATOM 258 C ILE A 18 -49.962 17.678 15.165 1.00 0.00 C ATOM 259 O ILE A 18 -51.124 17.955 14.873 1.00 0.00 O ATOM 260 CB ILE A 18 -48.593 15.987 13.864 1.00 0.00 C ATOM 261 CG1 ILE A 18 -49.823 15.165 14.201 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.470 15.514 14.785 1.00 0.00 C ATOM 263 CD1 ILE A 18 -50.907 15.374 13.141 1.00 0.00 C ATOM 0 H ILE A 18 -47.000 17.621 15.055 1.00 0.00 H new ATOM 0 HA ILE A 18 -49.241 17.902 13.136 1.00 0.00 H new ATOM 0 HB ILE A 18 -48.304 15.858 12.821 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -49.559 14.109 14.258 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -50.203 15.452 15.181 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -47.280 14.455 14.613 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -46.564 16.084 14.577 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -47.763 15.666 15.824 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -51.784 14.778 13.395 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -51.182 16.428 13.105 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -50.528 15.064 12.167 1.00 0.00 H new ATOM 275 N LYS A 19 -49.582 17.536 16.412 1.00 0.00 N ATOM 276 CA LYS A 19 -50.558 17.699 17.531 1.00 0.00 C ATOM 277 C LYS A 19 -51.289 19.051 17.433 1.00 0.00 C ATOM 278 O LYS A 19 -52.456 19.167 17.799 1.00 0.00 O ATOM 279 CB LYS A 19 -49.811 17.625 18.866 1.00 0.00 C ATOM 280 CG LYS A 19 -50.437 16.542 19.743 1.00 0.00 C ATOM 281 CD LYS A 19 -49.691 15.225 19.524 1.00 0.00 C ATOM 282 CE LYS A 19 -49.907 14.312 20.728 1.00 0.00 C ATOM 283 NZ LYS A 19 -49.213 13.018 20.484 1.00 0.00 N ATOM 0 H LYS A 19 -48.630 17.313 16.703 1.00 0.00 H new ATOM 0 HA LYS A 19 -51.297 16.900 17.466 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -48.758 17.404 18.693 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -49.855 18.589 19.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -50.386 16.832 20.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -51.492 16.422 19.496 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -50.049 14.739 18.616 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -48.627 15.416 19.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -49.520 14.783 21.632 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -50.972 14.144 20.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -49.355 12.389 21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -49.603 12.571 19.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -48.196 13.189 20.352 1.00 0.00 H new ATOM 297 N ARG A 20 -50.623 20.076 16.967 1.00 0.00 N ATOM 298 CA ARG A 20 -51.280 21.418 16.867 1.00 0.00 C ATOM 299 C ARG A 20 -51.644 21.745 15.404 1.00 0.00 C ATOM 300 O ARG A 20 -51.773 22.911 15.035 1.00 0.00 O ATOM 301 CB ARG A 20 -50.318 22.481 17.412 1.00 0.00 C ATOM 302 CG ARG A 20 -51.068 23.414 18.367 1.00 0.00 C ATOM 303 CD ARG A 20 -51.306 22.702 19.700 1.00 0.00 C ATOM 304 NE ARG A 20 -50.222 23.076 20.659 1.00 0.00 N ATOM 305 CZ ARG A 20 -50.409 22.962 21.931 1.00 0.00 C ATOM 306 NH1 ARG A 20 -50.933 23.936 22.591 1.00 0.00 N ATOM 307 NH2 ARG A 20 -50.071 21.874 22.532 1.00 0.00 N ATOM 0 H ARG A 20 -49.654 20.044 16.651 1.00 0.00 H new ATOM 0 HA ARG A 20 -52.201 21.408 17.451 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -49.489 22.002 17.932 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -49.890 23.054 16.590 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -50.492 24.325 18.528 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -52.020 23.712 17.927 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -52.279 22.980 20.106 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -51.320 21.622 19.552 1.00 0.00 H new ATOM 0 HE ARG A 20 -49.330 23.423 20.306 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -51.199 24.794 22.108 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -51.082 23.849 23.596 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -49.657 21.106 22.003 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -50.217 21.780 23.537 1.00 0.00 H new ATOM 321 N ASN A 21 -51.822 20.746 14.570 1.00 0.00 N ATOM 322 CA ASN A 21 -52.187 21.002 13.135 1.00 0.00 C ATOM 323 C ASN A 21 -51.200 21.998 12.490 1.00 0.00 C ATOM 324 O ASN A 21 -51.584 22.849 11.685 1.00 0.00 O ATOM 325 CB ASN A 21 -53.612 21.569 13.076 1.00 0.00 C ATOM 326 CG ASN A 21 -54.255 21.212 11.738 1.00 0.00 C ATOM 327 OD1 ASN A 21 -55.128 20.359 11.671 1.00 0.00 O ATOM 328 ND2 ASN A 21 -53.869 21.821 10.660 1.00 0.00 N ATOM 0 H ASN A 21 -51.730 19.762 14.821 1.00 0.00 H new ATOM 0 HA ASN A 21 -52.136 20.064 12.581 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -54.208 21.166 13.895 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -53.588 22.652 13.201 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -54.293 21.587 9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -53.141 22.534 10.710 1.00 0.00 H new ATOM 335 N MET A 22 -49.938 21.904 12.820 1.00 0.00 N ATOM 336 CA MET A 22 -48.928 22.836 12.225 1.00 0.00 C ATOM 337 C MET A 22 -48.185 22.139 11.072 1.00 0.00 C ATOM 338 O MET A 22 -47.842 22.761 10.072 1.00 0.00 O ATOM 339 CB MET A 22 -47.925 23.251 13.307 1.00 0.00 C ATOM 340 CG MET A 22 -48.596 24.213 14.289 1.00 0.00 C ATOM 341 SD MET A 22 -47.357 25.354 14.951 1.00 0.00 S ATOM 342 CE MET A 22 -48.182 26.889 14.469 1.00 0.00 C ATOM 0 H MET A 22 -49.560 21.221 13.477 1.00 0.00 H new ATOM 0 HA MET A 22 -49.436 23.719 11.837 1.00 0.00 H new ATOM 0 HB2 MET A 22 -47.561 22.370 13.836 1.00 0.00 H new ATOM 0 HB3 MET A 22 -47.058 23.728 12.850 1.00 0.00 H new ATOM 0 HG2 MET A 22 -49.388 24.769 13.787 1.00 0.00 H new ATOM 0 HG3 MET A 22 -49.063 23.655 15.100 1.00 0.00 H new ATOM 0 HE1 MET A 22 -47.443 27.597 14.094 1.00 0.00 H new ATOM 0 HE2 MET A 22 -48.913 26.679 13.688 1.00 0.00 H new ATOM 0 HE3 MET A 22 -48.688 27.317 15.334 1.00 0.00 H new ATOM 352 N THR A 23 -47.932 20.861 11.196 1.00 0.00 N ATOM 353 CA THR A 23 -47.212 20.106 10.115 1.00 0.00 C ATOM 354 C THR A 23 -45.781 20.638 9.970 1.00 0.00 C ATOM 355 O THR A 23 -45.413 21.217 8.951 1.00 0.00 O ATOM 356 CB THR A 23 -47.961 20.255 8.782 1.00 0.00 C ATOM 357 OG1 THR A 23 -49.335 20.512 9.034 1.00 0.00 O ATOM 358 CG2 THR A 23 -47.839 18.965 7.979 1.00 0.00 C ATOM 0 H THR A 23 -48.194 20.299 12.006 1.00 0.00 H new ATOM 0 HA THR A 23 -47.174 19.051 10.386 1.00 0.00 H new ATOM 0 HB THR A 23 -47.527 21.082 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 23 -49.811 20.609 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.371 19.073 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 23 -46.787 18.757 7.782 1.00 0.00 H new ATOM 0 HG23 THR A 23 -48.271 18.141 8.547 1.00 0.00 H new ATOM 366 N VAL A 24 -44.962 20.447 10.972 1.00 0.00 N ATOM 367 CA VAL A 24 -43.550 20.937 10.896 1.00 0.00 C ATOM 368 C VAL A 24 -42.796 20.157 9.808 1.00 0.00 C ATOM 369 O VAL A 24 -42.393 19.009 10.002 1.00 0.00 O ATOM 370 CB VAL A 24 -42.863 20.739 12.256 1.00 0.00 C ATOM 371 CG1 VAL A 24 -41.368 21.031 12.128 1.00 0.00 C ATOM 372 CG2 VAL A 24 -43.469 21.700 13.280 1.00 0.00 C ATOM 0 H VAL A 24 -45.209 19.973 11.841 1.00 0.00 H new ATOM 0 HA VAL A 24 -43.544 21.998 10.645 1.00 0.00 H new ATOM 0 HB VAL A 24 -43.009 19.709 12.581 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -40.885 20.889 13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -40.926 20.352 11.399 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -41.225 22.060 11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -42.981 21.559 14.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -43.323 22.727 12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -44.536 21.500 13.380 1.00 0.00 H new ATOM 382 N HIS A 25 -42.609 20.756 8.663 1.00 0.00 N ATOM 383 CA HIS A 25 -41.893 20.053 7.554 1.00 0.00 C ATOM 384 C HIS A 25 -40.499 20.665 7.353 1.00 0.00 C ATOM 385 O HIS A 25 -40.367 21.807 6.919 1.00 0.00 O ATOM 386 CB HIS A 25 -42.704 20.197 6.263 1.00 0.00 C ATOM 387 CG HIS A 25 -43.766 19.135 6.207 1.00 0.00 C ATOM 388 ND1 HIS A 25 -43.494 17.801 6.460 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.107 19.197 5.925 1.00 0.00 C ATOM 390 CE1 HIS A 25 -44.647 17.119 6.324 1.00 0.00 C ATOM 391 NE2 HIS A 25 -45.661 17.923 5.998 1.00 0.00 N ATOM 0 H HIS A 25 -42.921 21.703 8.445 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.783 18.999 7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -43.162 21.185 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.046 20.112 5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -45.650 20.098 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -44.740 16.052 6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -46.633 17.660 5.837 1.00 0.00 H new ATOM 399 N PHE A 26 -39.460 19.927 7.655 1.00 0.00 N ATOM 400 CA PHE A 26 -38.071 20.463 7.478 1.00 0.00 C ATOM 401 C PHE A 26 -37.557 20.151 6.064 1.00 0.00 C ATOM 402 O PHE A 26 -37.746 19.050 5.547 1.00 0.00 O ATOM 403 CB PHE A 26 -37.140 19.811 8.505 1.00 0.00 C ATOM 404 CG PHE A 26 -37.247 20.538 9.822 1.00 0.00 C ATOM 405 CD1 PHE A 26 -36.485 21.688 10.052 1.00 0.00 C ATOM 406 CD2 PHE A 26 -38.106 20.059 10.814 1.00 0.00 C ATOM 407 CE1 PHE A 26 -36.584 22.359 11.276 1.00 0.00 C ATOM 408 CE2 PHE A 26 -38.205 20.728 12.038 1.00 0.00 C ATOM 409 CZ PHE A 26 -37.444 21.878 12.268 1.00 0.00 C ATOM 0 H PHE A 26 -39.512 18.975 8.017 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.088 21.543 7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.405 18.762 8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -36.111 19.838 8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -35.820 22.058 9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -38.694 19.171 10.635 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -35.997 23.248 11.454 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -38.869 20.357 12.805 1.00 0.00 H new ATOM 0 HZ PHE A 26 -37.520 22.395 13.213 1.00 0.00 H new ATOM 419 N LYS A 27 -36.906 21.097 5.437 1.00 0.00 N ATOM 420 CA LYS A 27 -36.367 20.872 4.059 1.00 0.00 C ATOM 421 C LYS A 27 -35.117 21.743 3.840 1.00 0.00 C ATOM 422 O LYS A 27 -35.153 22.962 4.001 1.00 0.00 O ATOM 423 CB LYS A 27 -37.439 21.250 3.029 1.00 0.00 C ATOM 424 CG LYS A 27 -38.590 20.243 3.096 1.00 0.00 C ATOM 425 CD LYS A 27 -39.237 20.111 1.716 1.00 0.00 C ATOM 426 CE LYS A 27 -40.041 18.812 1.652 1.00 0.00 C ATOM 427 NZ LYS A 27 -41.267 19.035 0.830 1.00 0.00 N ATOM 0 H LYS A 27 -36.723 22.023 5.823 1.00 0.00 H new ATOM 0 HA LYS A 27 -36.098 19.822 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -37.810 22.256 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -37.009 21.260 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -38.220 19.274 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -39.330 20.570 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -39.888 20.964 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -38.470 20.115 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -39.436 18.017 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -40.315 18.490 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -41.818 18.154 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -41.845 19.782 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -40.993 19.324 -0.131 1.00 0.00 H new ATOM 441 N VAL A 28 -34.014 21.147 3.476 1.00 0.00 N ATOM 442 CA VAL A 28 -32.770 21.949 3.246 1.00 0.00 C ATOM 443 C VAL A 28 -32.707 22.389 1.775 1.00 0.00 C ATOM 444 O VAL A 28 -32.955 21.603 0.863 1.00 0.00 O ATOM 445 CB VAL A 28 -31.538 21.097 3.586 1.00 0.00 C ATOM 446 CG1 VAL A 28 -30.261 21.857 3.221 1.00 0.00 C ATOM 447 CG2 VAL A 28 -31.520 20.800 5.086 1.00 0.00 C ATOM 0 H VAL A 28 -33.917 20.143 3.327 1.00 0.00 H new ATOM 0 HA VAL A 28 -32.784 22.832 3.885 1.00 0.00 H new ATOM 0 HB VAL A 28 -31.586 20.166 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -29.392 21.246 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -30.261 22.078 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.219 22.789 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.646 20.195 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -31.478 21.737 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -32.424 20.256 5.360 1.00 0.00 H new ATOM 457 N LEU A 29 -32.375 23.630 1.530 1.00 0.00 N ATOM 458 CA LEU A 29 -32.286 24.124 0.114 1.00 0.00 C ATOM 459 C LEU A 29 -30.919 23.744 -0.468 1.00 0.00 C ATOM 460 O LEU A 29 -30.792 23.403 -1.643 1.00 0.00 O ATOM 461 CB LEU A 29 -32.451 25.654 0.067 1.00 0.00 C ATOM 462 CG LEU A 29 -33.404 26.130 1.167 1.00 0.00 C ATOM 463 CD1 LEU A 29 -33.503 27.653 1.126 1.00 0.00 C ATOM 464 CD2 LEU A 29 -34.794 25.535 0.938 1.00 0.00 C ATOM 0 H LEU A 29 -32.161 24.325 2.245 1.00 0.00 H new ATOM 0 HA LEU A 29 -33.083 23.665 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -31.480 26.133 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -32.835 25.954 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 29 -33.023 25.808 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -34.181 27.995 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -32.516 28.086 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -33.883 27.967 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -35.469 25.876 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -35.172 25.857 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -34.732 24.447 0.960 1.00 0.00 H new ATOM 476 N ARG A 30 -29.894 23.798 0.340 1.00 0.00 N ATOM 477 CA ARG A 30 -28.523 23.438 -0.138 1.00 0.00 C ATOM 478 C ARG A 30 -27.579 23.301 1.065 1.00 0.00 C ATOM 479 O ARG A 30 -27.661 24.066 2.030 1.00 0.00 O ATOM 480 CB ARG A 30 -28.005 24.525 -1.091 1.00 0.00 C ATOM 481 CG ARG A 30 -27.931 25.872 -0.361 1.00 0.00 C ATOM 482 CD ARG A 30 -28.202 27.007 -1.348 1.00 0.00 C ATOM 483 NE ARG A 30 -27.030 27.150 -2.266 1.00 0.00 N ATOM 484 CZ ARG A 30 -27.201 27.521 -3.491 1.00 0.00 C ATOM 485 NH1 ARG A 30 -27.616 26.671 -4.366 1.00 0.00 N ATOM 486 NH2 ARG A 30 -26.957 28.740 -3.832 1.00 0.00 N ATOM 0 H ARG A 30 -29.946 24.078 1.319 1.00 0.00 H new ATOM 0 HA ARG A 30 -28.562 22.488 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.019 24.251 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -28.664 24.606 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -28.661 25.899 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.948 25.998 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -29.105 26.798 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.374 27.939 -0.810 1.00 0.00 H new ATOM 0 HE ARG A 30 -26.090 26.953 -1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.809 25.708 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.752 26.961 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.630 29.409 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -27.091 29.036 -4.799 1.00 0.00 H new ATOM 631 N PHE A 40 -24.819 26.292 5.994 1.00 0.00 N ATOM 632 CA PHE A 40 -25.971 25.344 5.849 1.00 0.00 C ATOM 633 C PHE A 40 -27.300 26.113 5.941 1.00 0.00 C ATOM 634 O PHE A 40 -27.540 26.859 6.889 1.00 0.00 O ATOM 635 CB PHE A 40 -25.906 24.309 6.977 1.00 0.00 C ATOM 636 CG PHE A 40 -25.428 22.982 6.437 1.00 0.00 C ATOM 637 CD1 PHE A 40 -24.142 22.864 5.899 1.00 0.00 C ATOM 638 CD2 PHE A 40 -26.272 21.868 6.485 1.00 0.00 C ATOM 639 CE1 PHE A 40 -23.700 21.631 5.409 1.00 0.00 C ATOM 640 CE2 PHE A 40 -25.831 20.635 5.993 1.00 0.00 C ATOM 641 CZ PHE A 40 -24.545 20.516 5.456 1.00 0.00 C ATOM 0 HA PHE A 40 -25.913 24.848 4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.232 24.656 7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -26.890 24.192 7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -23.491 23.725 5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.264 21.960 6.902 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -22.707 21.539 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -26.483 19.775 6.028 1.00 0.00 H new ATOM 0 HZ PHE A 40 -24.204 19.564 5.078 1.00 0.00 H new ATOM 651 N ILE A 41 -28.174 25.944 4.982 1.00 0.00 N ATOM 652 CA ILE A 41 -29.488 26.667 5.032 1.00 0.00 C ATOM 653 C ILE A 41 -30.637 25.650 5.123 1.00 0.00 C ATOM 654 O ILE A 41 -31.106 25.113 4.115 1.00 0.00 O ATOM 655 CB ILE A 41 -29.656 27.534 3.779 1.00 0.00 C ATOM 656 CG1 ILE A 41 -28.448 28.465 3.627 1.00 0.00 C ATOM 657 CG2 ILE A 41 -30.921 28.385 3.910 1.00 0.00 C ATOM 658 CD1 ILE A 41 -27.447 27.860 2.639 1.00 0.00 C ATOM 0 H ILE A 41 -28.039 25.342 4.170 1.00 0.00 H new ATOM 0 HA ILE A 41 -29.509 27.310 5.912 1.00 0.00 H new ATOM 0 HB ILE A 41 -29.733 26.885 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -28.774 29.444 3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -27.971 28.617 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -31.039 29.001 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -31.788 27.734 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -30.838 29.028 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -26.591 28.526 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -27.111 26.891 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -27.926 27.731 1.669 1.00 0.00 H new ATOM 670 N THR A 42 -31.100 25.377 6.315 1.00 0.00 N ATOM 671 CA THR A 42 -32.221 24.396 6.491 1.00 0.00 C ATOM 672 C THR A 42 -33.551 25.153 6.603 1.00 0.00 C ATOM 673 O THR A 42 -33.722 26.005 7.472 1.00 0.00 O ATOM 674 CB THR A 42 -31.990 23.580 7.772 1.00 0.00 C ATOM 675 OG1 THR A 42 -30.864 22.729 7.602 1.00 0.00 O ATOM 676 CG2 THR A 42 -33.218 22.719 8.066 1.00 0.00 C ATOM 0 H THR A 42 -30.751 25.791 7.179 1.00 0.00 H new ATOM 0 HA THR A 42 -32.255 23.726 5.632 1.00 0.00 H new ATOM 0 HB THR A 42 -31.814 24.266 8.600 1.00 0.00 H new ATOM 0 HG1 THR A 42 -30.718 22.211 8.421 1.00 0.00 H new ATOM 0 HG21 THR A 42 -33.049 22.142 8.975 1.00 0.00 H new ATOM 0 HG22 THR A 42 -34.089 23.361 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 42 -33.393 22.039 7.233 1.00 0.00 H new ATOM 684 N ALA A 43 -34.496 24.859 5.751 1.00 0.00 N ATOM 685 CA ALA A 43 -35.814 25.561 5.817 1.00 0.00 C ATOM 686 C ALA A 43 -36.862 24.647 6.473 1.00 0.00 C ATOM 687 O ALA A 43 -36.635 23.453 6.671 1.00 0.00 O ATOM 688 CB ALA A 43 -36.261 25.925 4.397 1.00 0.00 C ATOM 0 H ALA A 43 -34.414 24.162 5.011 1.00 0.00 H new ATOM 0 HA ALA A 43 -35.714 26.468 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -37.222 26.437 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -35.520 26.580 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -36.359 25.017 3.802 1.00 0.00 H new ATOM 694 N CYS A 44 -38.003 25.184 6.819 1.00 0.00 N ATOM 695 CA CYS A 44 -39.065 24.348 7.462 1.00 0.00 C ATOM 696 C CYS A 44 -40.437 25.031 7.327 1.00 0.00 C ATOM 697 O CYS A 44 -40.535 26.253 7.200 1.00 0.00 O ATOM 698 CB CYS A 44 -38.736 24.148 8.946 1.00 0.00 C ATOM 699 SG CYS A 44 -37.818 25.579 9.571 1.00 0.00 S ATOM 0 H CYS A 44 -38.247 26.165 6.685 1.00 0.00 H new ATOM 0 HA CYS A 44 -39.101 23.380 6.962 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -39.655 24.017 9.517 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.147 23.241 9.078 1.00 0.00 H new ATOM 0 HG CYS A 44 -37.950 26.574 8.745 1.00 0.00 H new ATOM 705 N ILE A 45 -41.500 24.266 7.352 1.00 0.00 N ATOM 706 CA ILE A 45 -42.867 24.868 7.225 1.00 0.00 C ATOM 707 C ILE A 45 -43.617 24.759 8.565 1.00 0.00 C ATOM 708 O ILE A 45 -43.653 23.702 9.198 1.00 0.00 O ATOM 709 CB ILE A 45 -43.645 24.147 6.105 1.00 0.00 C ATOM 710 CG1 ILE A 45 -44.250 25.192 5.166 1.00 0.00 C ATOM 711 CG2 ILE A 45 -44.776 23.285 6.682 1.00 0.00 C ATOM 712 CD1 ILE A 45 -44.952 24.490 4.002 1.00 0.00 C ATOM 0 H ILE A 45 -41.482 23.251 7.455 1.00 0.00 H new ATOM 0 HA ILE A 45 -42.778 25.923 6.968 1.00 0.00 H new ATOM 0 HB ILE A 45 -42.953 23.498 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -44.960 25.816 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -43.469 25.852 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -45.307 22.789 5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -44.356 22.535 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -45.470 23.918 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -45.383 25.236 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -44.230 23.885 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.744 23.849 4.388 1.00 0.00 H new ATOM 724 N VAL A 46 -44.213 25.835 9.003 1.00 0.00 N ATOM 725 CA VAL A 46 -44.968 25.816 10.293 1.00 0.00 C ATOM 726 C VAL A 46 -46.433 26.236 10.048 1.00 0.00 C ATOM 727 O VAL A 46 -46.775 27.420 10.006 1.00 0.00 O ATOM 728 CB VAL A 46 -44.285 26.762 11.298 1.00 0.00 C ATOM 729 CG1 VAL A 46 -44.372 28.215 10.824 1.00 0.00 C ATOM 730 CG2 VAL A 46 -44.968 26.637 12.658 1.00 0.00 C ATOM 0 H VAL A 46 -44.210 26.734 8.520 1.00 0.00 H new ATOM 0 HA VAL A 46 -44.967 24.808 10.707 1.00 0.00 H new ATOM 0 HB VAL A 46 -43.235 26.482 11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -43.883 28.864 11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -43.877 28.313 9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -45.418 28.504 10.726 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -44.485 27.306 13.370 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -46.020 26.906 12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.887 25.610 13.013 1.00 0.00 H new ATOM 740 N GLY A 47 -47.309 25.280 9.876 1.00 0.00 N ATOM 741 CA GLY A 47 -48.753 25.600 9.628 1.00 0.00 C ATOM 742 C GLY A 47 -48.923 26.259 8.258 1.00 0.00 C ATOM 743 O GLY A 47 -48.930 25.594 7.229 1.00 0.00 O ATOM 0 H GLY A 47 -47.088 24.284 9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.348 24.688 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -49.124 26.265 10.408 1.00 0.00 H new ATOM 747 N SER A 48 -49.062 27.558 8.227 1.00 0.00 N ATOM 748 CA SER A 48 -49.232 28.269 6.918 1.00 0.00 C ATOM 749 C SER A 48 -48.079 29.261 6.701 1.00 0.00 C ATOM 750 O SER A 48 -48.215 30.246 5.975 1.00 0.00 O ATOM 751 CB SER A 48 -50.560 29.029 6.919 1.00 0.00 C ATOM 752 OG SER A 48 -50.752 29.644 5.649 1.00 0.00 O ATOM 0 H SER A 48 -49.066 28.161 9.050 1.00 0.00 H new ATOM 0 HA SER A 48 -49.228 27.534 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 -51.382 28.347 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 48 -50.559 29.784 7.705 1.00 0.00 H new ATOM 0 HG SER A 48 -49.922 30.085 5.370 1.00 0.00 H new ATOM 758 N ILE A 49 -46.947 29.025 7.314 1.00 0.00 N ATOM 759 CA ILE A 49 -45.787 29.953 7.145 1.00 0.00 C ATOM 760 C ILE A 49 -44.506 29.134 6.949 1.00 0.00 C ATOM 761 O ILE A 49 -44.406 27.993 7.397 1.00 0.00 O ATOM 762 CB ILE A 49 -45.642 30.828 8.399 1.00 0.00 C ATOM 763 CG1 ILE A 49 -46.932 31.615 8.637 1.00 0.00 C ATOM 764 CG2 ILE A 49 -44.489 31.815 8.209 1.00 0.00 C ATOM 765 CD1 ILE A 49 -46.927 32.177 10.059 1.00 0.00 C ATOM 0 H ILE A 49 -46.775 28.227 7.926 1.00 0.00 H new ATOM 0 HA ILE A 49 -45.954 30.588 6.275 1.00 0.00 H new ATOM 0 HB ILE A 49 -45.441 30.184 9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -47.015 32.426 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -47.798 30.969 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -44.389 32.434 9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -43.563 31.265 8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -44.692 32.450 7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -47.845 32.738 10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -46.863 31.357 10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -46.069 32.837 10.186 1.00 0.00 H new ATOM 777 N VAL A 50 -43.523 29.692 6.302 1.00 0.00 N ATOM 778 CA VAL A 50 -42.244 28.947 6.096 1.00 0.00 C ATOM 779 C VAL A 50 -41.109 29.707 6.783 1.00 0.00 C ATOM 780 O VAL A 50 -41.101 30.937 6.830 1.00 0.00 O ATOM 781 CB VAL A 50 -41.926 28.812 4.602 1.00 0.00 C ATOM 782 CG1 VAL A 50 -41.137 27.524 4.370 1.00 0.00 C ATOM 783 CG2 VAL A 50 -43.219 28.756 3.786 1.00 0.00 C ATOM 0 H VAL A 50 -43.546 30.632 5.906 1.00 0.00 H new ATOM 0 HA VAL A 50 -42.347 27.949 6.522 1.00 0.00 H new ATOM 0 HB VAL A 50 -41.341 29.676 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -40.908 27.423 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -40.208 27.559 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -41.731 26.670 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -42.977 28.660 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -43.812 27.898 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -43.790 29.670 3.946 1.00 0.00 H new ATOM 793 N THR A 51 -40.152 29.000 7.306 1.00 0.00 N ATOM 794 CA THR A 51 -39.009 29.671 7.993 1.00 0.00 C ATOM 795 C THR A 51 -37.715 28.922 7.680 1.00 0.00 C ATOM 796 O THR A 51 -37.725 27.721 7.411 1.00 0.00 O ATOM 797 CB THR A 51 -39.245 29.672 9.508 1.00 0.00 C ATOM 798 OG1 THR A 51 -40.561 30.128 9.786 1.00 0.00 O ATOM 799 CG2 THR A 51 -38.237 30.596 10.181 1.00 0.00 C ATOM 0 H THR A 51 -40.108 27.981 7.289 1.00 0.00 H new ATOM 0 HA THR A 51 -38.930 30.699 7.639 1.00 0.00 H new ATOM 0 HB THR A 51 -39.123 28.659 9.891 1.00 0.00 H new ATOM 0 HG1 THR A 51 -40.520 30.891 10.399 1.00 0.00 H new ATOM 0 HG21 THR A 51 -38.406 30.596 11.258 1.00 0.00 H new ATOM 0 HG22 THR A 51 -37.226 30.246 9.972 1.00 0.00 H new ATOM 0 HG23 THR A 51 -38.357 31.608 9.795 1.00 0.00 H new ATOM 807 N GLU A 52 -36.600 29.597 7.706 1.00 0.00 N ATOM 808 CA GLU A 52 -35.309 28.911 7.411 1.00 0.00 C ATOM 809 C GLU A 52 -34.349 29.064 8.600 1.00 0.00 C ATOM 810 O GLU A 52 -34.562 29.882 9.502 1.00 0.00 O ATOM 811 CB GLU A 52 -34.686 29.503 6.140 1.00 0.00 C ATOM 812 CG GLU A 52 -34.411 31.000 6.330 1.00 0.00 C ATOM 813 CD GLU A 52 -34.099 31.636 4.975 1.00 0.00 C ATOM 814 OE1 GLU A 52 -35.034 32.022 4.296 1.00 0.00 O ATOM 815 OE2 GLU A 52 -32.931 31.721 4.641 1.00 0.00 O ATOM 0 H GLU A 52 -36.526 30.592 7.918 1.00 0.00 H new ATOM 0 HA GLU A 52 -35.495 27.849 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -33.757 28.983 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -35.357 29.354 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -35.276 31.485 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -33.573 31.143 7.013 1.00 0.00 H new ATOM 822 N GLY A 53 -33.304 28.281 8.626 1.00 0.00 N ATOM 823 CA GLY A 53 -32.327 28.355 9.752 1.00 0.00 C ATOM 824 C GLY A 53 -30.903 28.286 9.205 1.00 0.00 C ATOM 825 O GLY A 53 -30.455 27.242 8.729 1.00 0.00 O ATOM 0 H GLY A 53 -33.083 27.588 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.468 29.282 10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.499 27.535 10.449 1.00 0.00 H new ATOM 829 N GLU A 54 -30.189 29.376 9.267 1.00 0.00 N ATOM 830 CA GLU A 54 -28.779 29.406 8.760 1.00 0.00 C ATOM 831 C GLU A 54 -27.867 28.586 9.695 1.00 0.00 C ATOM 832 O GLU A 54 -26.987 29.117 10.374 1.00 0.00 O ATOM 833 CB GLU A 54 -28.287 30.865 8.684 1.00 0.00 C ATOM 834 CG GLU A 54 -28.923 31.708 9.803 1.00 0.00 C ATOM 835 CD GLU A 54 -28.049 32.922 10.105 1.00 0.00 C ATOM 836 OE1 GLU A 54 -27.080 32.759 10.825 1.00 0.00 O ATOM 837 OE2 GLU A 54 -28.375 33.990 9.629 1.00 0.00 O ATOM 0 H GLU A 54 -30.523 30.260 9.651 1.00 0.00 H new ATOM 0 HA GLU A 54 -28.745 28.967 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -27.201 30.894 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -28.540 31.290 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -29.919 32.033 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -29.042 31.103 10.702 1.00 0.00 H new ATOM 844 N GLY A 55 -28.074 27.297 9.747 1.00 0.00 N ATOM 845 CA GLY A 55 -27.237 26.427 10.634 1.00 0.00 C ATOM 846 C GLY A 55 -25.772 26.437 10.176 1.00 0.00 C ATOM 847 O GLY A 55 -25.466 26.540 8.989 1.00 0.00 O ATOM 0 H GLY A 55 -28.789 26.804 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -27.304 26.778 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.621 25.407 10.619 1.00 0.00 H new ATOM 943 N LYS A 62 -30.871 21.766 11.495 1.00 0.00 N ATOM 944 CA LYS A 62 -32.281 21.392 11.835 1.00 0.00 C ATOM 945 C LYS A 62 -32.707 22.167 13.094 1.00 0.00 C ATOM 946 O LYS A 62 -33.837 22.630 13.208 1.00 0.00 O ATOM 947 CB LYS A 62 -32.364 19.880 12.103 1.00 0.00 C ATOM 948 CG LYS A 62 -32.964 19.166 10.885 1.00 0.00 C ATOM 949 CD LYS A 62 -33.228 17.694 11.234 1.00 0.00 C ATOM 950 CE LYS A 62 -33.718 16.944 9.990 1.00 0.00 C ATOM 951 NZ LYS A 62 -34.976 16.203 10.316 1.00 0.00 N ATOM 0 HA LYS A 62 -32.943 21.641 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -31.371 19.484 12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -32.977 19.691 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -33.893 19.652 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -32.282 19.233 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -32.317 17.232 11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -33.973 17.627 12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -33.898 17.647 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -32.952 16.248 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -35.308 15.694 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -34.790 15.522 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -35.706 16.877 10.624 1.00 0.00 H new ATOM 965 N LYS A 63 -31.802 22.327 14.033 1.00 0.00 N ATOM 966 CA LYS A 63 -32.122 23.081 15.285 1.00 0.00 C ATOM 967 C LYS A 63 -32.370 24.566 14.955 1.00 0.00 C ATOM 968 O LYS A 63 -33.473 25.065 15.117 1.00 0.00 O ATOM 969 CB LYS A 63 -30.948 22.951 16.268 1.00 0.00 C ATOM 970 CG LYS A 63 -31.285 23.686 17.571 1.00 0.00 C ATOM 971 CD LYS A 63 -30.016 23.853 18.414 1.00 0.00 C ATOM 972 CE LYS A 63 -30.046 22.876 19.590 1.00 0.00 C ATOM 973 NZ LYS A 63 -28.669 22.336 19.816 1.00 0.00 N ATOM 0 H LYS A 63 -30.850 21.964 13.983 1.00 0.00 H new ATOM 0 HA LYS A 63 -33.023 22.668 15.738 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -30.747 21.900 16.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -30.043 23.368 15.827 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -31.716 24.662 17.348 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -32.034 23.127 18.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -29.134 23.671 17.800 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -29.944 24.877 18.781 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -30.404 23.380 20.488 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -30.740 22.061 19.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.684 21.671 20.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -28.345 21.842 18.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.020 23.120 20.030 1.00 0.00 H new ATOM 987 N ARG A 64 -31.365 25.276 14.490 1.00 0.00 N ATOM 988 CA ARG A 64 -31.552 26.730 14.151 1.00 0.00 C ATOM 989 C ARG A 64 -32.862 26.935 13.371 1.00 0.00 C ATOM 990 O ARG A 64 -33.599 27.892 13.609 1.00 0.00 O ATOM 991 CB ARG A 64 -30.370 27.218 13.303 1.00 0.00 C ATOM 992 CG ARG A 64 -30.265 28.744 13.405 1.00 0.00 C ATOM 993 CD ARG A 64 -29.120 29.243 12.522 1.00 0.00 C ATOM 994 NE ARG A 64 -28.612 30.544 13.054 1.00 0.00 N ATOM 995 CZ ARG A 64 -27.401 30.638 13.492 1.00 0.00 C ATOM 996 NH1 ARG A 64 -27.089 30.120 14.631 1.00 0.00 N ATOM 997 NH2 ARG A 64 -26.515 31.259 12.800 1.00 0.00 N ATOM 0 H ARG A 64 -30.425 24.914 14.330 1.00 0.00 H new ATOM 0 HA ARG A 64 -31.600 27.302 15.078 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -29.445 26.755 13.648 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -30.507 26.921 12.263 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -31.203 29.204 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -30.093 29.038 14.440 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -28.316 28.508 12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -29.465 29.367 11.496 1.00 0.00 H new ATOM 0 HE ARG A 64 -29.224 31.360 13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -27.798 29.638 15.183 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -26.133 30.193 14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -26.768 31.678 11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -25.558 31.334 13.145 1.00 0.00 H new ATOM 1011 N ALA A 65 -33.169 26.051 12.457 1.00 0.00 N ATOM 1012 CA ALA A 65 -34.434 26.185 11.680 1.00 0.00 C ATOM 1013 C ALA A 65 -35.638 25.908 12.608 1.00 0.00 C ATOM 1014 O ALA A 65 -36.638 26.630 12.594 1.00 0.00 O ATOM 1015 CB ALA A 65 -34.420 25.179 10.525 1.00 0.00 C ATOM 0 H ALA A 65 -32.597 25.242 12.216 1.00 0.00 H new ATOM 0 HA ALA A 65 -34.520 27.195 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -35.342 25.271 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -33.568 25.382 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -34.340 24.168 10.924 1.00 0.00 H new ATOM 1021 N ALA A 66 -35.549 24.878 13.417 1.00 0.00 N ATOM 1022 CA ALA A 66 -36.666 24.533 14.357 1.00 0.00 C ATOM 1023 C ALA A 66 -36.839 25.630 15.421 1.00 0.00 C ATOM 1024 O ALA A 66 -37.934 26.172 15.592 1.00 0.00 O ATOM 1025 CB ALA A 66 -36.344 23.202 15.046 1.00 0.00 C ATOM 0 H ALA A 66 -34.743 24.255 13.467 1.00 0.00 H new ATOM 0 HA ALA A 66 -37.593 24.450 13.790 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -37.151 22.943 15.732 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -36.241 22.419 14.295 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -35.411 23.297 15.602 1.00 0.00 H new ATOM 1031 N GLU A 67 -35.791 25.965 16.137 1.00 0.00 N ATOM 1032 CA GLU A 67 -35.898 27.028 17.190 1.00 0.00 C ATOM 1033 C GLU A 67 -36.541 28.274 16.570 1.00 0.00 C ATOM 1034 O GLU A 67 -37.394 28.927 17.177 1.00 0.00 O ATOM 1035 CB GLU A 67 -34.504 27.384 17.742 1.00 0.00 C ATOM 1036 CG GLU A 67 -33.665 26.115 18.006 1.00 0.00 C ATOM 1037 CD GLU A 67 -34.495 25.034 18.709 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -34.590 25.083 19.922 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -34.996 24.161 18.022 1.00 0.00 O ATOM 0 H GLU A 67 -34.865 25.548 16.038 1.00 0.00 H new ATOM 0 HA GLU A 67 -36.510 26.659 18.013 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -33.983 28.026 17.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -34.611 27.951 18.667 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -33.283 25.726 17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -32.801 26.369 18.620 1.00 0.00 H new ATOM 1046 N LYS A 68 -36.173 28.595 15.352 1.00 0.00 N ATOM 1047 CA LYS A 68 -36.784 29.773 14.665 1.00 0.00 C ATOM 1048 C LYS A 68 -38.302 29.556 14.571 1.00 0.00 C ATOM 1049 O LYS A 68 -39.090 30.432 14.907 1.00 0.00 O ATOM 1050 CB LYS A 68 -36.193 29.910 13.255 1.00 0.00 C ATOM 1051 CG LYS A 68 -35.038 30.916 13.273 1.00 0.00 C ATOM 1052 CD LYS A 68 -35.302 32.017 12.241 1.00 0.00 C ATOM 1053 CE LYS A 68 -36.179 33.109 12.863 1.00 0.00 C ATOM 1054 NZ LYS A 68 -37.462 33.202 12.113 1.00 0.00 N ATOM 0 H LYS A 68 -35.475 28.090 14.805 1.00 0.00 H new ATOM 0 HA LYS A 68 -36.574 30.682 15.228 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -35.838 28.941 12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -36.964 30.239 12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -34.937 31.352 14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -34.098 30.411 13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -34.358 32.444 11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -35.795 31.597 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -36.374 32.881 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -35.659 34.067 12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -38.146 33.761 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -37.295 33.663 11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -37.843 32.247 11.956 1.00 0.00 H new ATOM 1068 N MET A 69 -38.725 28.391 14.148 1.00 0.00 N ATOM 1069 CA MET A 69 -40.191 28.109 14.066 1.00 0.00 C ATOM 1070 C MET A 69 -40.808 28.250 15.463 1.00 0.00 C ATOM 1071 O MET A 69 -41.871 28.842 15.632 1.00 0.00 O ATOM 1072 CB MET A 69 -40.417 26.680 13.573 1.00 0.00 C ATOM 1073 CG MET A 69 -39.945 26.542 12.129 1.00 0.00 C ATOM 1074 SD MET A 69 -40.002 24.797 11.670 1.00 0.00 S ATOM 1075 CE MET A 69 -41.617 24.832 10.860 1.00 0.00 C ATOM 0 H MET A 69 -38.119 27.624 13.856 1.00 0.00 H new ATOM 0 HA MET A 69 -40.654 28.813 13.374 1.00 0.00 H new ATOM 0 HB2 MET A 69 -39.877 25.978 14.209 1.00 0.00 H new ATOM 0 HB3 MET A 69 -41.475 26.426 13.644 1.00 0.00 H new ATOM 0 HG2 MET A 69 -40.580 27.129 11.465 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.931 26.928 12.024 1.00 0.00 H new ATOM 0 HE1 MET A 69 -41.768 23.904 10.309 1.00 0.00 H new ATOM 0 HE2 MET A 69 -42.399 24.939 11.612 1.00 0.00 H new ATOM 0 HE3 MET A 69 -41.660 25.674 10.170 1.00 0.00 H new ATOM 1085 N LEU A 70 -40.159 27.712 16.467 1.00 0.00 N ATOM 1086 CA LEU A 70 -40.702 27.810 17.857 1.00 0.00 C ATOM 1087 C LEU A 70 -40.879 29.285 18.242 1.00 0.00 C ATOM 1088 O LEU A 70 -41.970 29.710 18.616 1.00 0.00 O ATOM 1089 CB LEU A 70 -39.743 27.119 18.835 1.00 0.00 C ATOM 1090 CG LEU A 70 -39.723 25.611 18.562 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -38.832 24.919 19.591 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -41.142 25.047 18.666 1.00 0.00 C ATOM 0 H LEU A 70 -39.276 27.209 16.383 1.00 0.00 H new ATOM 0 HA LEU A 70 -41.672 27.315 17.903 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -38.740 27.531 18.727 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -40.057 27.308 19.862 1.00 0.00 H new ATOM 0 HG LEU A 70 -39.334 25.434 17.559 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -38.818 23.846 19.397 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -37.819 25.314 19.519 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -39.223 25.102 20.592 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -41.123 23.975 18.471 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -41.532 25.227 19.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -41.783 25.537 17.933 1.00 0.00 H new ATOM 1104 N VAL A 71 -39.846 30.084 18.139 1.00 0.00 N ATOM 1105 CA VAL A 71 -39.993 31.530 18.484 1.00 0.00 C ATOM 1106 C VAL A 71 -41.079 32.160 17.590 1.00 0.00 C ATOM 1107 O VAL A 71 -41.706 33.157 17.964 1.00 0.00 O ATOM 1108 CB VAL A 71 -38.652 32.257 18.291 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -37.570 31.580 19.133 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -38.224 32.220 16.825 1.00 0.00 C ATOM 0 H VAL A 71 -38.915 29.800 17.834 1.00 0.00 H new ATOM 0 HA VAL A 71 -40.290 31.626 19.528 1.00 0.00 H new ATOM 0 HB VAL A 71 -38.780 33.293 18.604 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -36.622 32.099 18.993 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -37.852 31.617 20.185 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -37.464 30.541 18.822 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -37.273 32.740 16.710 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -38.112 31.184 16.505 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -38.981 32.709 16.212 1.00 0.00 H new ATOM 1120 N GLU A 72 -41.318 31.589 16.434 1.00 0.00 N ATOM 1121 CA GLU A 72 -42.364 32.122 15.509 1.00 0.00 C ATOM 1122 C GLU A 72 -43.762 31.691 15.993 1.00 0.00 C ATOM 1123 O GLU A 72 -44.591 32.527 16.357 1.00 0.00 O ATOM 1124 CB GLU A 72 -42.109 31.571 14.100 1.00 0.00 C ATOM 1125 CG GLU A 72 -41.872 32.737 13.125 1.00 0.00 C ATOM 1126 CD GLU A 72 -40.393 32.826 12.764 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -39.606 33.230 13.607 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -40.052 32.494 11.641 1.00 0.00 O ATOM 0 H GLU A 72 -40.825 30.765 16.089 1.00 0.00 H new ATOM 0 HA GLU A 72 -42.319 33.211 15.493 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -41.243 30.909 14.109 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -42.961 30.976 13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -42.467 32.593 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -42.201 33.672 13.578 1.00 0.00 H new ATOM 1135 N LEU A 73 -44.046 30.407 16.013 1.00 0.00 N ATOM 1136 CA LEU A 73 -45.398 29.941 16.480 1.00 0.00 C ATOM 1137 C LEU A 73 -45.611 30.287 17.960 1.00 0.00 C ATOM 1138 O LEU A 73 -46.741 30.371 18.424 1.00 0.00 O ATOM 1139 CB LEU A 73 -45.546 28.424 16.281 1.00 0.00 C ATOM 1140 CG LEU A 73 -44.358 27.679 16.893 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -44.821 26.853 18.091 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -43.774 26.740 15.846 1.00 0.00 C ATOM 0 H LEU A 73 -43.406 29.665 15.729 1.00 0.00 H new ATOM 0 HA LEU A 73 -46.152 30.454 15.884 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -46.473 28.081 16.741 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -45.615 28.197 15.217 1.00 0.00 H new ATOM 0 HG LEU A 73 -43.609 28.401 17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -43.969 26.326 18.521 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -45.256 27.513 18.842 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -45.569 26.130 17.767 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -42.926 26.203 16.271 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -44.535 26.026 15.533 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -43.442 27.318 14.984 1.00 0.00 H new ATOM 1154 N GLN A 74 -44.562 30.505 18.709 1.00 0.00 N ATOM 1155 CA GLN A 74 -44.742 30.863 20.152 1.00 0.00 C ATOM 1156 C GLN A 74 -45.040 32.367 20.292 1.00 0.00 C ATOM 1157 O GLN A 74 -44.907 32.945 21.371 1.00 0.00 O ATOM 1158 CB GLN A 74 -43.468 30.523 20.918 1.00 0.00 C ATOM 1159 CG GLN A 74 -43.330 28.997 21.030 1.00 0.00 C ATOM 1160 CD GLN A 74 -43.561 28.557 22.475 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -42.699 27.939 23.085 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -44.683 28.837 23.061 1.00 0.00 N ATOM 0 H GLN A 74 -43.595 30.452 18.390 1.00 0.00 H new ATOM 0 HA GLN A 74 -45.580 30.297 20.559 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -42.601 30.941 20.406 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -43.498 30.970 21.912 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -44.050 28.509 20.373 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -42.338 28.688 20.701 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -45.406 29.352 22.559 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -44.843 28.542 24.024 1.00 0.00 H new ATOM 1171 N LYS A 75 -45.427 33.007 19.222 1.00 0.00 N ATOM 1172 CA LYS A 75 -45.738 34.469 19.269 1.00 0.00 C ATOM 1173 C LYS A 75 -47.214 34.715 18.902 1.00 0.00 C ATOM 1174 O LYS A 75 -47.730 35.814 19.102 1.00 0.00 O ATOM 1175 CB LYS A 75 -44.836 35.199 18.272 1.00 0.00 C ATOM 1176 CG LYS A 75 -44.060 36.306 18.988 1.00 0.00 C ATOM 1177 CD LYS A 75 -42.665 36.423 18.365 1.00 0.00 C ATOM 1178 CE LYS A 75 -41.597 36.111 19.414 1.00 0.00 C ATOM 1179 NZ LYS A 75 -41.717 34.682 19.830 1.00 0.00 N ATOM 0 H LYS A 75 -45.543 32.576 18.305 1.00 0.00 H new ATOM 0 HA LYS A 75 -45.562 34.842 20.278 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -44.142 34.495 17.812 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -45.437 35.625 17.468 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -44.591 37.254 18.902 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -43.979 36.081 20.052 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -42.574 35.734 17.525 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -42.517 37.428 17.971 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -40.604 36.301 19.006 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -41.717 36.765 20.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -40.830 34.375 20.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -42.500 34.582 20.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -41.905 34.092 18.994 1.00 0.00 H new ATOM 1193 N LEU A 76 -47.892 33.729 18.363 1.00 0.00 N ATOM 1194 CA LEU A 76 -49.319 33.911 17.982 1.00 0.00 C ATOM 1195 C LEU A 76 -50.230 33.196 18.998 1.00 0.00 C ATOM 1196 O LEU A 76 -51.147 33.834 19.489 1.00 0.00 O ATOM 1197 CB LEU A 76 -49.531 33.312 16.591 1.00 0.00 C ATOM 1198 CG LEU A 76 -48.822 34.171 15.542 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -48.606 33.348 14.274 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -49.688 35.384 15.211 1.00 0.00 C ATOM 1201 OXT LEU A 76 -50.001 32.023 19.262 1.00 0.00 O ATOM 0 H LEU A 76 -47.511 32.802 18.172 1.00 0.00 H new ATOM 0 HA LEU A 76 -49.567 34.972 17.976 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -49.145 32.293 16.561 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -50.596 33.256 16.368 1.00 0.00 H new ATOM 0 HG LEU A 76 -47.860 34.502 15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -48.101 33.959 13.526 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -47.993 32.477 14.506 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -49.570 33.020 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -49.185 35.997 14.464 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -50.648 35.049 14.819 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -49.850 35.973 16.114 1.00 0.00 H new