USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 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 -91:sc= 0.0787 USER MOD Single : A 12 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.0018) USER MOD Single : A 14 HIS : no HD1:sc= -3.59 K(o=-3.6,f=-9.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -107:sc= -0.0042 (180deg=-0.426) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0797 USER MOD Single : A 25 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= -0.184 (180deg=-0.841) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 123:sc= -0.726 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 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+ -141:sc= -0.137 (180deg=-0.697) USER MOD Single : A 69 MET CE :methyl 149:sc= -0.336 (180deg=-0.503) USER MOD Single : A 74 GLN : amide:sc=-0.00892 X(o=-0.0089,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -31.920 22.550 21.215 1.00 0.00 N ATOM 122 CA PRO A 9 -31.859 21.225 20.570 1.00 0.00 C ATOM 123 C PRO A 9 -32.935 21.098 19.475 1.00 0.00 C ATOM 124 O PRO A 9 -34.131 21.244 19.732 1.00 0.00 O ATOM 125 CB PRO A 9 -32.128 20.254 21.723 1.00 0.00 C ATOM 126 CG PRO A 9 -32.883 21.063 22.807 1.00 0.00 C ATOM 127 CD PRO A 9 -32.594 22.551 22.532 1.00 0.00 C ATOM 0 HA PRO A 9 -30.908 21.036 20.072 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -32.724 19.406 21.386 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -31.195 19.851 22.118 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -33.954 20.862 22.764 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -32.546 20.781 23.805 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -33.512 23.138 22.509 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.958 22.983 23.305 1.00 0.00 H new ATOM 135 N ILE A 10 -32.528 20.822 18.261 1.00 0.00 N ATOM 136 CA ILE A 10 -33.511 20.674 17.133 1.00 0.00 C ATOM 137 C ILE A 10 -34.594 19.651 17.510 1.00 0.00 C ATOM 138 O ILE A 10 -35.769 19.832 17.191 1.00 0.00 O ATOM 139 CB ILE A 10 -32.763 20.217 15.868 1.00 0.00 C ATOM 140 CG1 ILE A 10 -31.776 21.309 15.443 1.00 0.00 C ATOM 141 CG2 ILE A 10 -33.756 19.979 14.727 1.00 0.00 C ATOM 142 CD1 ILE A 10 -30.676 20.696 14.575 1.00 0.00 C ATOM 0 H ILE A 10 -31.551 20.691 17.997 1.00 0.00 H new ATOM 0 HA ILE A 10 -33.993 21.632 16.940 1.00 0.00 H new ATOM 0 HB ILE A 10 -32.231 19.291 16.086 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -32.298 22.090 14.889 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -31.339 21.781 16.323 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -33.217 19.656 13.837 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -34.468 19.208 15.020 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -34.291 20.904 14.511 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -29.975 21.474 14.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -30.147 19.931 15.144 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -31.121 20.245 13.688 1.00 0.00 H new ATOM 154 N SER A 11 -34.230 18.590 18.192 1.00 0.00 N ATOM 155 CA SER A 11 -35.247 17.566 18.599 1.00 0.00 C ATOM 156 C SER A 11 -36.410 18.253 19.318 1.00 0.00 C ATOM 157 O SER A 11 -37.541 18.232 18.846 1.00 0.00 O ATOM 158 CB SER A 11 -34.614 16.540 19.545 1.00 0.00 C ATOM 159 OG SER A 11 -33.402 17.068 20.083 1.00 0.00 O ATOM 0 H SER A 11 -33.274 18.389 18.484 1.00 0.00 H new ATOM 0 HA SER A 11 -35.610 17.059 17.705 1.00 0.00 H new ATOM 0 HB2 SER A 11 -35.306 16.298 20.351 1.00 0.00 H new ATOM 0 HB3 SER A 11 -34.412 15.612 19.009 1.00 0.00 H new ATOM 0 HG SER A 11 -32.650 16.813 19.508 1.00 0.00 H new ATOM 165 N GLN A 12 -36.148 18.869 20.443 1.00 0.00 N ATOM 166 CA GLN A 12 -37.234 19.566 21.203 1.00 0.00 C ATOM 167 C GLN A 12 -38.054 20.468 20.267 1.00 0.00 C ATOM 168 O GLN A 12 -39.282 20.510 20.341 1.00 0.00 O ATOM 169 CB GLN A 12 -36.610 20.418 22.311 1.00 0.00 C ATOM 170 CG GLN A 12 -36.481 19.583 23.592 1.00 0.00 C ATOM 171 CD GLN A 12 -36.953 20.403 24.797 1.00 0.00 C ATOM 172 OE1 GLN A 12 -37.652 19.895 25.664 1.00 0.00 O ATOM 173 NE2 GLN A 12 -36.606 21.648 24.904 1.00 0.00 N ATOM 0 H GLN A 12 -35.224 18.920 20.871 1.00 0.00 H new ATOM 0 HA GLN A 12 -37.896 18.817 21.637 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -35.629 20.777 21.999 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -37.227 21.297 22.498 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -37.075 18.673 23.505 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -35.445 19.275 23.733 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -36.024 22.079 24.186 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -36.915 22.197 25.706 1.00 0.00 H new ATOM 182 N VAL A 13 -37.405 21.188 19.385 1.00 0.00 N ATOM 183 CA VAL A 13 -38.159 22.079 18.445 1.00 0.00 C ATOM 184 C VAL A 13 -39.144 21.236 17.625 1.00 0.00 C ATOM 185 O VAL A 13 -40.332 21.550 17.539 1.00 0.00 O ATOM 186 CB VAL A 13 -37.179 22.790 17.498 1.00 0.00 C ATOM 187 CG1 VAL A 13 -37.941 23.801 16.641 1.00 0.00 C ATOM 188 CG2 VAL A 13 -36.109 23.531 18.306 1.00 0.00 C ATOM 0 H VAL A 13 -36.391 21.199 19.274 1.00 0.00 H new ATOM 0 HA VAL A 13 -38.706 22.827 19.019 1.00 0.00 H new ATOM 0 HB VAL A 13 -36.701 22.045 16.862 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -37.246 24.305 15.969 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -38.700 23.283 16.055 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -38.421 24.537 17.286 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -35.420 24.031 17.625 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -36.586 24.271 18.948 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -35.559 22.818 18.920 1.00 0.00 H new ATOM 198 N HIS A 14 -38.679 20.166 17.038 1.00 0.00 N ATOM 199 CA HIS A 14 -39.586 19.291 16.243 1.00 0.00 C ATOM 200 C HIS A 14 -40.590 18.610 17.187 1.00 0.00 C ATOM 201 O HIS A 14 -41.755 18.423 16.849 1.00 0.00 O ATOM 202 CB HIS A 14 -38.755 18.222 15.530 1.00 0.00 C ATOM 203 CG HIS A 14 -38.013 18.829 14.371 1.00 0.00 C ATOM 204 ND1 HIS A 14 -38.431 18.667 13.062 1.00 0.00 N ATOM 205 CD2 HIS A 14 -36.866 19.581 14.307 1.00 0.00 C ATOM 206 CE1 HIS A 14 -37.546 19.303 12.271 1.00 0.00 C ATOM 207 NE2 HIS A 14 -36.574 19.876 12.980 1.00 0.00 N ATOM 0 H HIS A 14 -37.707 19.860 17.075 1.00 0.00 H new ATOM 0 HA HIS A 14 -40.124 19.889 15.507 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -38.049 17.774 16.229 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -39.405 17.422 15.176 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -36.280 19.895 15.158 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -37.615 19.344 11.194 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -35.785 20.416 12.625 1.00 0.00 H new ATOM 215 N GLU A 15 -40.152 18.240 18.363 1.00 0.00 N ATOM 216 CA GLU A 15 -41.056 17.568 19.344 1.00 0.00 C ATOM 217 C GLU A 15 -42.175 18.520 19.784 1.00 0.00 C ATOM 218 O GLU A 15 -43.312 18.100 19.975 1.00 0.00 O ATOM 219 CB GLU A 15 -40.245 17.142 20.566 1.00 0.00 C ATOM 220 CG GLU A 15 -39.263 16.034 20.170 1.00 0.00 C ATOM 221 CD GLU A 15 -38.383 15.675 21.364 1.00 0.00 C ATOM 222 OE1 GLU A 15 -38.881 15.020 22.261 1.00 0.00 O ATOM 223 OE2 GLU A 15 -37.228 16.061 21.359 1.00 0.00 O ATOM 0 H GLU A 15 -39.195 18.377 18.689 1.00 0.00 H new ATOM 0 HA GLU A 15 -41.504 16.695 18.870 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -39.702 17.996 20.970 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -40.912 16.787 21.352 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -39.810 15.154 19.832 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -38.644 16.365 19.336 1.00 0.00 H new ATOM 230 N ILE A 16 -41.889 19.786 19.955 1.00 0.00 N ATOM 231 CA ILE A 16 -42.967 20.736 20.380 1.00 0.00 C ATOM 232 C ILE A 16 -43.824 21.091 19.159 1.00 0.00 C ATOM 233 O ILE A 16 -45.054 21.137 19.234 1.00 0.00 O ATOM 234 CB ILE A 16 -42.336 22.004 20.970 1.00 0.00 C ATOM 235 CG1 ILE A 16 -41.613 21.660 22.274 1.00 0.00 C ATOM 236 CG2 ILE A 16 -43.425 23.038 21.265 1.00 0.00 C ATOM 237 CD1 ILE A 16 -40.552 22.723 22.562 1.00 0.00 C ATOM 0 H ILE A 16 -40.967 20.201 19.821 1.00 0.00 H new ATOM 0 HA ILE A 16 -43.593 20.272 21.142 1.00 0.00 H new ATOM 0 HB ILE A 16 -41.627 22.413 20.250 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -42.327 21.611 23.096 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -41.148 20.677 22.196 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -42.970 23.936 21.684 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -43.946 23.292 20.342 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -44.136 22.624 21.980 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -40.036 22.480 23.491 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -39.833 22.750 21.743 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -41.030 23.698 22.657 1.00 0.00 H new ATOM 249 N GLY A 17 -43.203 21.322 18.031 1.00 0.00 N ATOM 250 CA GLY A 17 -43.982 21.651 16.799 1.00 0.00 C ATOM 251 C GLY A 17 -44.811 20.426 16.394 1.00 0.00 C ATOM 252 O GLY A 17 -46.041 20.488 16.291 1.00 0.00 O ATOM 0 H GLY A 17 -42.191 21.297 17.909 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -44.635 22.504 16.982 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -43.308 21.934 15.991 1.00 0.00 H new ATOM 256 N ILE A 18 -44.165 19.306 16.189 1.00 0.00 N ATOM 257 CA ILE A 18 -44.905 18.062 15.816 1.00 0.00 C ATOM 258 C ILE A 18 -45.484 17.431 17.084 1.00 0.00 C ATOM 259 O ILE A 18 -44.973 16.443 17.617 1.00 0.00 O ATOM 260 CB ILE A 18 -43.968 17.062 15.141 1.00 0.00 C ATOM 261 CG1 ILE A 18 -43.266 17.717 13.955 1.00 0.00 C ATOM 262 CG2 ILE A 18 -44.782 15.869 14.645 1.00 0.00 C ATOM 263 CD1 ILE A 18 -42.155 16.790 13.478 1.00 0.00 C ATOM 0 H ILE A 18 -43.153 19.199 16.264 1.00 0.00 H new ATOM 0 HA ILE A 18 -45.704 18.319 15.120 1.00 0.00 H new ATOM 0 HB ILE A 18 -43.219 16.732 15.861 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -43.977 17.902 13.149 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -42.854 18.684 14.245 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -44.119 15.151 14.162 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -45.280 15.392 15.489 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -45.529 16.211 13.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -41.642 17.243 12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -41.444 16.628 14.288 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -42.583 15.835 13.175 1.00 0.00 H new ATOM 275 N LYS A 19 -46.542 17.995 17.575 1.00 0.00 N ATOM 276 CA LYS A 19 -47.185 17.463 18.809 1.00 0.00 C ATOM 277 C LYS A 19 -48.539 18.154 19.001 1.00 0.00 C ATOM 278 O LYS A 19 -49.533 17.536 19.393 1.00 0.00 O ATOM 279 CB LYS A 19 -46.272 17.733 20.008 1.00 0.00 C ATOM 280 CG LYS A 19 -46.405 16.587 21.012 1.00 0.00 C ATOM 281 CD LYS A 19 -45.640 15.372 20.481 1.00 0.00 C ATOM 282 CE LYS A 19 -44.142 15.560 20.726 1.00 0.00 C ATOM 283 NZ LYS A 19 -43.590 14.325 21.348 1.00 0.00 N ATOM 0 H LYS A 19 -46.999 18.813 17.172 1.00 0.00 H new ATOM 0 HA LYS A 19 -47.343 16.388 18.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -45.237 17.825 19.678 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -46.541 18.678 20.479 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -46.009 16.888 21.982 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -47.455 16.336 21.161 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -45.989 14.466 20.976 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -45.831 15.247 19.415 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -43.631 15.768 19.786 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -43.972 16.417 21.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -42.571 14.447 21.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -44.072 14.146 22.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -43.741 13.518 20.710 1.00 0.00 H new ATOM 297 N ARG A 20 -48.602 19.429 18.719 1.00 0.00 N ATOM 298 CA ARG A 20 -49.890 20.160 18.857 1.00 0.00 C ATOM 299 C ARG A 20 -50.487 20.413 17.466 1.00 0.00 C ATOM 300 O ARG A 20 -51.606 19.995 17.181 1.00 0.00 O ATOM 301 CB ARG A 20 -49.666 21.486 19.586 1.00 0.00 C ATOM 302 CG ARG A 20 -50.614 21.565 20.789 1.00 0.00 C ATOM 303 CD ARG A 20 -52.069 21.552 20.306 1.00 0.00 C ATOM 304 NE ARG A 20 -52.513 20.138 20.074 1.00 0.00 N ATOM 305 CZ ARG A 20 -52.587 19.300 21.058 1.00 0.00 C ATOM 306 NH1 ARG A 20 -53.461 19.484 21.990 1.00 0.00 N ATOM 307 NH2 ARG A 20 -51.794 18.280 21.104 1.00 0.00 N ATOM 0 H ARG A 20 -47.815 19.994 18.399 1.00 0.00 H new ATOM 0 HA ARG A 20 -50.586 19.557 19.440 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -48.631 21.562 19.918 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -49.846 22.322 18.910 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -50.436 20.724 21.459 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -50.418 22.474 21.359 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -52.712 22.028 21.046 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -52.162 22.128 19.385 1.00 0.00 H new ATOM 0 HE ARG A 20 -52.759 19.834 19.132 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -54.089 20.287 21.949 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -53.524 18.827 22.767 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -51.108 18.134 20.364 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -51.855 17.621 21.881 1.00 0.00 H new ATOM 321 N ASN A 21 -49.757 21.079 16.599 1.00 0.00 N ATOM 322 CA ASN A 21 -50.270 21.355 15.214 1.00 0.00 C ATOM 323 C ASN A 21 -49.245 22.204 14.432 1.00 0.00 C ATOM 324 O ASN A 21 -49.563 23.284 13.936 1.00 0.00 O ATOM 325 CB ASN A 21 -51.603 22.116 15.299 1.00 0.00 C ATOM 326 CG ASN A 21 -52.394 21.909 14.011 1.00 0.00 C ATOM 327 OD1 ASN A 21 -52.884 20.821 13.746 1.00 0.00 O ATOM 328 ND2 ASN A 21 -52.541 22.898 13.186 1.00 0.00 N ATOM 0 H ASN A 21 -48.824 21.445 16.791 1.00 0.00 H new ATOM 0 HA ASN A 21 -50.422 20.408 14.697 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -52.181 21.763 16.153 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -51.417 23.178 15.457 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -53.064 22.766 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -52.134 23.808 13.403 1.00 0.00 H new ATOM 335 N MET A 22 -48.022 21.745 14.316 1.00 0.00 N ATOM 336 CA MET A 22 -46.995 22.542 13.568 1.00 0.00 C ATOM 337 C MET A 22 -45.926 21.620 12.958 1.00 0.00 C ATOM 338 O MET A 22 -45.166 20.960 13.663 1.00 0.00 O ATOM 339 CB MET A 22 -46.322 23.528 14.530 1.00 0.00 C ATOM 340 CG MET A 22 -47.231 24.740 14.751 1.00 0.00 C ATOM 341 SD MET A 22 -46.223 26.155 15.252 1.00 0.00 S ATOM 342 CE MET A 22 -47.436 27.447 14.882 1.00 0.00 C ATOM 0 H MET A 22 -47.691 20.861 14.703 1.00 0.00 H new ATOM 0 HA MET A 22 -47.492 23.081 12.761 1.00 0.00 H new ATOM 0 HB2 MET A 22 -46.116 23.038 15.482 1.00 0.00 H new ATOM 0 HB3 MET A 22 -45.363 23.850 14.123 1.00 0.00 H new ATOM 0 HG2 MET A 22 -47.776 24.972 13.836 1.00 0.00 H new ATOM 0 HG3 MET A 22 -47.974 24.518 15.517 1.00 0.00 H new ATOM 0 HE1 MET A 22 -47.131 27.987 13.986 1.00 0.00 H new ATOM 0 HE2 MET A 22 -48.413 26.992 14.717 1.00 0.00 H new ATOM 0 HE3 MET A 22 -47.496 28.141 15.721 1.00 0.00 H new ATOM 352 N THR A 23 -45.846 21.575 11.657 1.00 0.00 N ATOM 353 CA THR A 23 -44.820 20.711 10.990 1.00 0.00 C ATOM 354 C THR A 23 -43.476 21.446 10.969 1.00 0.00 C ATOM 355 O THR A 23 -43.270 22.364 10.178 1.00 0.00 O ATOM 356 CB THR A 23 -45.254 20.418 9.549 1.00 0.00 C ATOM 357 OG1 THR A 23 -46.540 20.979 9.318 1.00 0.00 O ATOM 358 CG2 THR A 23 -45.318 18.911 9.326 1.00 0.00 C ATOM 0 H THR A 23 -46.447 22.100 11.021 1.00 0.00 H new ATOM 0 HA THR A 23 -44.722 19.775 11.540 1.00 0.00 H new ATOM 0 HB THR A 23 -44.531 20.857 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 23 -46.817 20.793 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 23 -45.627 18.708 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 23 -44.335 18.475 9.502 1.00 0.00 H new ATOM 0 HG23 THR A 23 -46.038 18.471 10.016 1.00 0.00 H new ATOM 366 N VAL A 24 -42.564 21.072 11.826 1.00 0.00 N ATOM 367 CA VAL A 24 -41.233 21.762 11.859 1.00 0.00 C ATOM 368 C VAL A 24 -40.278 21.115 10.845 1.00 0.00 C ATOM 369 O VAL A 24 -39.967 19.927 10.931 1.00 0.00 O ATOM 370 CB VAL A 24 -40.633 21.653 13.267 1.00 0.00 C ATOM 371 CG1 VAL A 24 -39.285 22.374 13.310 1.00 0.00 C ATOM 372 CG2 VAL A 24 -41.574 22.305 14.281 1.00 0.00 C ATOM 0 H VAL A 24 -42.679 20.320 12.505 1.00 0.00 H new ATOM 0 HA VAL A 24 -41.371 22.812 11.600 1.00 0.00 H new ATOM 0 HB VAL A 24 -40.497 20.600 13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -38.862 22.295 14.311 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -38.605 21.917 12.591 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -39.426 23.425 13.058 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -41.144 22.225 15.280 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -41.710 23.356 14.027 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -42.539 21.799 14.260 1.00 0.00 H new ATOM 382 N HIS A 25 -39.800 21.877 9.893 1.00 0.00 N ATOM 383 CA HIS A 25 -38.853 21.313 8.875 1.00 0.00 C ATOM 384 C HIS A 25 -37.776 22.361 8.539 1.00 0.00 C ATOM 385 O HIS A 25 -38.064 23.413 7.964 1.00 0.00 O ATOM 386 CB HIS A 25 -39.626 20.930 7.607 1.00 0.00 C ATOM 387 CG HIS A 25 -40.583 19.811 7.915 1.00 0.00 C ATOM 388 ND1 HIS A 25 -40.198 18.482 7.892 1.00 0.00 N ATOM 389 CD2 HIS A 25 -41.908 19.810 8.264 1.00 0.00 C ATOM 390 CE1 HIS A 25 -41.274 17.741 8.219 1.00 0.00 C ATOM 391 NE2 HIS A 25 -42.344 18.503 8.456 1.00 0.00 N ATOM 0 H HIS A 25 -40.023 22.865 9.775 1.00 0.00 H new ATOM 0 HA HIS A 25 -38.372 20.422 9.280 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -40.172 21.794 7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -38.932 20.623 6.825 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -39.268 18.128 7.668 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -42.522 20.692 8.374 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -41.271 16.663 8.282 1.00 0.00 H new ATOM 399 N PHE A 26 -36.545 22.095 8.900 1.00 0.00 N ATOM 400 CA PHE A 26 -35.435 23.069 8.623 1.00 0.00 C ATOM 401 C PHE A 26 -34.975 22.953 7.157 1.00 0.00 C ATOM 402 O PHE A 26 -35.050 21.883 6.551 1.00 0.00 O ATOM 403 CB PHE A 26 -34.256 22.761 9.559 1.00 0.00 C ATOM 404 CG PHE A 26 -34.617 23.136 10.981 1.00 0.00 C ATOM 405 CD1 PHE A 26 -35.473 22.322 11.733 1.00 0.00 C ATOM 406 CD2 PHE A 26 -34.095 24.301 11.546 1.00 0.00 C ATOM 407 CE1 PHE A 26 -35.804 22.678 13.047 1.00 0.00 C ATOM 408 CE2 PHE A 26 -34.424 24.658 12.858 1.00 0.00 C ATOM 409 CZ PHE A 26 -35.280 23.846 13.609 1.00 0.00 C ATOM 0 H PHE A 26 -36.256 21.241 9.378 1.00 0.00 H new ATOM 0 HA PHE A 26 -35.794 24.083 8.796 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -34.005 21.702 9.505 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -33.373 23.315 9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -35.878 21.419 11.300 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -33.434 24.930 10.968 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -36.464 22.050 13.626 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -34.017 25.560 13.291 1.00 0.00 H new ATOM 0 HZ PHE A 26 -35.536 24.121 14.622 1.00 0.00 H new ATOM 419 N LYS A 27 -34.506 24.029 6.568 1.00 0.00 N ATOM 420 CA LYS A 27 -34.052 23.965 5.140 1.00 0.00 C ATOM 421 C LYS A 27 -32.921 24.979 4.886 1.00 0.00 C ATOM 422 O LYS A 27 -33.160 26.160 4.643 1.00 0.00 O ATOM 423 CB LYS A 27 -35.235 24.285 4.230 1.00 0.00 C ATOM 424 CG LYS A 27 -35.433 23.157 3.218 1.00 0.00 C ATOM 425 CD LYS A 27 -36.746 23.376 2.460 1.00 0.00 C ATOM 426 CE LYS A 27 -36.740 24.762 1.805 1.00 0.00 C ATOM 427 NZ LYS A 27 -37.489 25.723 2.672 1.00 0.00 N ATOM 0 H LYS A 27 -34.418 24.944 7.011 1.00 0.00 H new ATOM 0 HA LYS A 27 -33.675 22.964 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -36.139 24.414 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -35.060 25.226 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -34.597 23.130 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -35.452 22.194 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -36.871 22.605 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -37.590 23.290 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -35.715 25.105 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -37.199 24.712 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -38.405 25.946 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -37.648 25.296 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -36.936 26.597 2.780 1.00 0.00 H new ATOM 441 N VAL A 28 -31.697 24.537 4.930 1.00 0.00 N ATOM 442 CA VAL A 28 -30.543 25.466 4.693 1.00 0.00 C ATOM 443 C VAL A 28 -30.452 25.861 3.204 1.00 0.00 C ATOM 444 O VAL A 28 -30.417 25.011 2.308 1.00 0.00 O ATOM 445 CB VAL A 28 -29.245 24.774 5.134 1.00 0.00 C ATOM 446 CG1 VAL A 28 -28.971 23.559 4.243 1.00 0.00 C ATOM 447 CG2 VAL A 28 -28.076 25.756 5.021 1.00 0.00 C ATOM 0 H VAL A 28 -31.438 23.569 5.120 1.00 0.00 H new ATOM 0 HA VAL A 28 -30.694 26.376 5.274 1.00 0.00 H new ATOM 0 HB VAL A 28 -29.352 24.446 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -28.049 23.074 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -29.799 22.854 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -28.871 23.883 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.155 25.263 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -27.977 26.086 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -28.262 26.618 5.661 1.00 0.00 H new ATOM 457 N LEU A 29 -30.392 27.140 2.927 1.00 0.00 N ATOM 458 CA LEU A 29 -30.284 27.612 1.506 1.00 0.00 C ATOM 459 C LEU A 29 -28.825 27.480 1.045 1.00 0.00 C ATOM 460 O LEU A 29 -28.552 27.100 -0.093 1.00 0.00 O ATOM 461 CB LEU A 29 -30.725 29.083 1.402 1.00 0.00 C ATOM 462 CG LEU A 29 -31.887 29.358 2.359 1.00 0.00 C ATOM 463 CD1 LEU A 29 -32.296 30.824 2.250 1.00 0.00 C ATOM 464 CD2 LEU A 29 -33.080 28.477 1.991 1.00 0.00 C ATOM 0 H LEU A 29 -30.413 27.883 3.625 1.00 0.00 H new ATOM 0 HA LEU A 29 -30.931 27.005 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -29.887 29.739 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -31.026 29.308 0.379 1.00 0.00 H new ATOM 0 HG LEU A 29 -31.572 29.136 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -33.124 31.022 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -31.450 31.458 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -32.607 31.040 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -33.905 28.677 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -33.394 28.697 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -32.794 27.428 2.064 1.00 0.00 H new ATOM 476 N ARG A 30 -27.899 27.777 1.927 1.00 0.00 N ATOM 477 CA ARG A 30 -26.430 27.669 1.608 1.00 0.00 C ATOM 478 C ARG A 30 -25.966 28.824 0.698 1.00 0.00 C ATOM 479 O ARG A 30 -26.768 29.573 0.143 1.00 0.00 O ATOM 480 CB ARG A 30 -26.129 26.316 0.939 1.00 0.00 C ATOM 481 CG ARG A 30 -26.457 25.177 1.913 1.00 0.00 C ATOM 482 CD ARG A 30 -26.161 23.830 1.247 1.00 0.00 C ATOM 483 NE ARG A 30 -27.397 23.334 0.568 1.00 0.00 N ATOM 484 CZ ARG A 30 -27.997 24.075 -0.298 1.00 0.00 C ATOM 485 NH1 ARG A 30 -27.449 24.289 -1.442 1.00 0.00 N ATOM 486 NH2 ARG A 30 -29.133 24.604 -0.010 1.00 0.00 N ATOM 0 H ARG A 30 -28.100 28.096 2.875 1.00 0.00 H new ATOM 0 HA ARG A 30 -25.879 27.736 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -26.718 26.210 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.080 26.268 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.866 25.282 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.506 25.226 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.353 23.939 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.827 23.108 1.992 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.765 22.409 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.544 23.873 -1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.920 24.875 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.557 24.436 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.610 25.191 -0.694 1.00 0.00 H new ATOM 631 N PHE A 40 -24.765 29.068 6.111 1.00 0.00 N ATOM 632 CA PHE A 40 -25.238 30.293 5.381 1.00 0.00 C ATOM 633 C PHE A 40 -26.730 30.555 5.663 1.00 0.00 C ATOM 634 O PHE A 40 -27.277 30.100 6.673 1.00 0.00 O ATOM 635 CB PHE A 40 -25.008 30.098 3.876 1.00 0.00 C ATOM 636 CG PHE A 40 -23.611 29.566 3.640 1.00 0.00 C ATOM 637 CD1 PHE A 40 -22.526 30.447 3.596 1.00 0.00 C ATOM 638 CD2 PHE A 40 -23.403 28.193 3.466 1.00 0.00 C ATOM 639 CE1 PHE A 40 -21.234 29.959 3.378 1.00 0.00 C ATOM 640 CE2 PHE A 40 -22.108 27.703 3.248 1.00 0.00 C ATOM 641 CZ PHE A 40 -21.024 28.587 3.204 1.00 0.00 C ATOM 0 HA PHE A 40 -24.674 31.158 5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.745 29.404 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -25.141 31.045 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -22.686 31.507 3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -24.240 27.511 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -20.398 30.642 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -21.947 26.644 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 40 -20.026 28.210 3.036 1.00 0.00 H new ATOM 651 N ILE A 41 -27.400 31.288 4.804 1.00 0.00 N ATOM 652 CA ILE A 41 -28.852 31.581 5.041 1.00 0.00 C ATOM 653 C ILE A 41 -29.629 30.261 5.171 1.00 0.00 C ATOM 654 O ILE A 41 -29.532 29.364 4.329 1.00 0.00 O ATOM 655 CB ILE A 41 -29.450 32.410 3.887 1.00 0.00 C ATOM 656 CG1 ILE A 41 -28.440 33.443 3.368 1.00 0.00 C ATOM 657 CG2 ILE A 41 -30.682 33.159 4.392 1.00 0.00 C ATOM 658 CD1 ILE A 41 -28.127 33.161 1.897 1.00 0.00 C ATOM 0 H ILE A 41 -27.008 31.694 3.954 1.00 0.00 H new ATOM 0 HA ILE A 41 -28.935 32.159 5.961 1.00 0.00 H new ATOM 0 HB ILE A 41 -29.711 31.727 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -28.845 34.449 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -27.525 33.401 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -31.109 33.747 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -31.422 32.443 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -30.395 33.822 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -27.410 33.895 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -27.704 32.161 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -29.044 33.225 1.311 1.00 0.00 H new ATOM 670 N THR A 42 -30.393 30.126 6.217 1.00 0.00 N ATOM 671 CA THR A 42 -31.186 28.875 6.433 1.00 0.00 C ATOM 672 C THR A 42 -32.685 29.218 6.357 1.00 0.00 C ATOM 673 O THR A 42 -33.082 30.373 6.531 1.00 0.00 O ATOM 674 CB THR A 42 -30.841 28.281 7.817 1.00 0.00 C ATOM 675 OG1 THR A 42 -29.745 28.986 8.391 1.00 0.00 O ATOM 676 CG2 THR A 42 -30.456 26.809 7.681 1.00 0.00 C ATOM 0 H THR A 42 -30.506 30.834 6.942 1.00 0.00 H new ATOM 0 HA THR A 42 -30.945 28.139 5.666 1.00 0.00 H new ATOM 0 HB THR A 42 -31.719 28.373 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 42 -29.534 28.604 9.269 1.00 0.00 H new ATOM 0 HG21 THR A 42 -30.215 26.404 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 42 -31.290 26.253 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 42 -29.587 26.719 7.029 1.00 0.00 H new ATOM 684 N ALA A 43 -33.529 28.248 6.104 1.00 0.00 N ATOM 685 CA ALA A 43 -35.001 28.528 6.017 1.00 0.00 C ATOM 686 C ALA A 43 -35.808 27.351 6.599 1.00 0.00 C ATOM 687 O ALA A 43 -35.994 26.323 5.945 1.00 0.00 O ATOM 688 CB ALA A 43 -35.382 28.729 4.550 1.00 0.00 C ATOM 0 H ALA A 43 -33.265 27.274 5.954 1.00 0.00 H new ATOM 0 HA ALA A 43 -35.229 29.426 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -36.450 28.933 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -34.823 29.570 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -35.145 27.827 3.986 1.00 0.00 H new ATOM 694 N CYS A 44 -36.302 27.483 7.802 1.00 0.00 N ATOM 695 CA CYS A 44 -37.098 26.373 8.412 1.00 0.00 C ATOM 696 C CYS A 44 -38.583 26.734 8.390 1.00 0.00 C ATOM 697 O CYS A 44 -38.955 27.904 8.436 1.00 0.00 O ATOM 698 CB CYS A 44 -36.656 26.157 9.866 1.00 0.00 C ATOM 699 SG CYS A 44 -37.675 24.871 10.633 1.00 0.00 S ATOM 0 H CYS A 44 -36.190 28.310 8.389 1.00 0.00 H new ATOM 0 HA CYS A 44 -36.933 25.460 7.840 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -35.605 25.868 9.897 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -36.747 27.088 10.426 1.00 0.00 H new ATOM 0 HG CYS A 44 -36.910 23.916 11.073 1.00 0.00 H new ATOM 705 N ILE A 45 -39.435 25.752 8.338 1.00 0.00 N ATOM 706 CA ILE A 45 -40.903 26.025 8.339 1.00 0.00 C ATOM 707 C ILE A 45 -41.514 25.460 9.630 1.00 0.00 C ATOM 708 O ILE A 45 -41.243 24.322 10.018 1.00 0.00 O ATOM 709 CB ILE A 45 -41.557 25.373 7.109 1.00 0.00 C ATOM 710 CG1 ILE A 45 -43.060 25.672 7.102 1.00 0.00 C ATOM 711 CG2 ILE A 45 -41.352 23.856 7.142 1.00 0.00 C ATOM 712 CD1 ILE A 45 -43.672 25.188 5.786 1.00 0.00 C ATOM 0 H ILE A 45 -39.180 24.765 8.295 1.00 0.00 H new ATOM 0 HA ILE A 45 -41.080 27.100 8.295 1.00 0.00 H new ATOM 0 HB ILE A 45 -41.093 25.782 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -43.544 25.177 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -43.229 26.742 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -41.820 23.407 6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -40.285 23.633 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -41.805 23.447 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -44.741 25.401 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -43.196 25.704 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -43.516 24.114 5.685 1.00 0.00 H new ATOM 724 N VAL A 46 -42.317 26.237 10.307 1.00 0.00 N ATOM 725 CA VAL A 46 -42.946 25.755 11.576 1.00 0.00 C ATOM 726 C VAL A 46 -44.387 26.286 11.667 1.00 0.00 C ATOM 727 O VAL A 46 -44.648 27.361 12.215 1.00 0.00 O ATOM 728 CB VAL A 46 -42.129 26.243 12.783 1.00 0.00 C ATOM 729 CG1 VAL A 46 -42.809 25.799 14.079 1.00 0.00 C ATOM 730 CG2 VAL A 46 -40.722 25.642 12.735 1.00 0.00 C ATOM 0 H VAL A 46 -42.566 27.188 10.037 1.00 0.00 H new ATOM 0 HA VAL A 46 -42.963 24.665 11.580 1.00 0.00 H new ATOM 0 HB VAL A 46 -42.067 27.331 12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -42.227 26.147 14.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -43.812 26.222 14.127 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -42.873 24.711 14.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -40.148 25.991 13.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -40.790 24.554 12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -40.225 25.952 11.815 1.00 0.00 H new ATOM 740 N GLY A 47 -45.329 25.554 11.131 1.00 0.00 N ATOM 741 CA GLY A 47 -46.760 26.000 11.177 1.00 0.00 C ATOM 742 C GLY A 47 -46.961 27.241 10.301 1.00 0.00 C ATOM 743 O GLY A 47 -47.080 27.147 9.082 1.00 0.00 O ATOM 0 H GLY A 47 -45.171 24.663 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -47.410 25.195 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -47.045 26.223 12.205 1.00 0.00 H new ATOM 747 N SER A 48 -47.009 28.400 10.901 1.00 0.00 N ATOM 748 CA SER A 48 -47.214 29.660 10.110 1.00 0.00 C ATOM 749 C SER A 48 -45.898 30.438 9.974 1.00 0.00 C ATOM 750 O SER A 48 -45.740 31.256 9.070 1.00 0.00 O ATOM 751 CB SER A 48 -48.242 30.540 10.820 1.00 0.00 C ATOM 752 OG SER A 48 -47.878 30.665 12.194 1.00 0.00 O ATOM 0 H SER A 48 -46.915 28.534 11.908 1.00 0.00 H new ATOM 0 HA SER A 48 -47.568 29.391 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 -48.284 31.523 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 48 -49.236 30.102 10.732 1.00 0.00 H new ATOM 0 HG SER A 48 -48.532 31.230 12.656 1.00 0.00 H new ATOM 758 N ILE A 49 -44.951 30.210 10.847 1.00 0.00 N ATOM 759 CA ILE A 49 -43.657 30.948 10.748 1.00 0.00 C ATOM 760 C ILE A 49 -42.660 30.119 9.934 1.00 0.00 C ATOM 761 O ILE A 49 -42.480 28.923 10.163 1.00 0.00 O ATOM 762 CB ILE A 49 -43.096 31.201 12.152 1.00 0.00 C ATOM 763 CG1 ILE A 49 -44.061 32.087 12.939 1.00 0.00 C ATOM 764 CG2 ILE A 49 -41.743 31.913 12.052 1.00 0.00 C ATOM 765 CD1 ILE A 49 -43.669 32.070 14.415 1.00 0.00 C ATOM 0 H ILE A 49 -45.017 29.548 11.620 1.00 0.00 H new ATOM 0 HA ILE A 49 -43.822 31.905 10.253 1.00 0.00 H new ATOM 0 HB ILE A 49 -42.972 30.244 12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -44.033 33.107 12.555 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -45.083 31.729 12.818 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -41.350 32.090 13.053 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -41.045 31.290 11.493 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -41.870 32.866 11.539 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -44.355 32.701 14.981 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -43.719 31.049 14.793 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -42.653 32.448 14.526 1.00 0.00 H new ATOM 777 N VAL A 50 -42.003 30.734 8.991 1.00 0.00 N ATOM 778 CA VAL A 50 -41.006 29.989 8.167 1.00 0.00 C ATOM 779 C VAL A 50 -39.698 30.787 8.117 1.00 0.00 C ATOM 780 O VAL A 50 -39.539 31.771 8.835 1.00 0.00 O ATOM 781 CB VAL A 50 -41.536 29.766 6.747 1.00 0.00 C ATOM 782 CG1 VAL A 50 -40.841 28.541 6.157 1.00 0.00 C ATOM 783 CG2 VAL A 50 -43.049 29.519 6.775 1.00 0.00 C ATOM 0 H VAL A 50 -42.112 31.720 8.754 1.00 0.00 H new ATOM 0 HA VAL A 50 -40.827 29.015 8.621 1.00 0.00 H new ATOM 0 HB VAL A 50 -41.335 30.651 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -41.207 28.367 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -39.765 28.711 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -41.055 27.669 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -43.411 29.362 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -43.262 28.635 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -43.551 30.384 7.210 1.00 0.00 H new ATOM 793 N THR A 51 -38.751 30.366 7.310 1.00 0.00 N ATOM 794 CA THR A 51 -37.431 31.066 7.235 1.00 0.00 C ATOM 795 C THR A 51 -36.616 30.631 8.447 1.00 0.00 C ATOM 796 O THR A 51 -37.161 30.134 9.428 1.00 0.00 O ATOM 797 CB THR A 51 -37.617 32.591 7.238 1.00 0.00 C ATOM 798 OG1 THR A 51 -38.572 32.945 6.250 1.00 0.00 O ATOM 799 CG2 THR A 51 -36.293 33.280 6.914 1.00 0.00 C ATOM 0 H THR A 51 -38.840 29.558 6.694 1.00 0.00 H new ATOM 0 HA THR A 51 -36.919 30.805 6.309 1.00 0.00 H new ATOM 0 HB THR A 51 -37.958 32.907 8.224 1.00 0.00 H new ATOM 0 HG1 THR A 51 -38.696 33.917 6.248 1.00 0.00 H new ATOM 0 HG21 THR A 51 -36.435 34.361 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 51 -35.549 33.009 7.663 1.00 0.00 H new ATOM 0 HG23 THR A 51 -35.949 32.963 5.929 1.00 0.00 H new ATOM 807 N GLU A 52 -35.329 30.763 8.413 1.00 0.00 N ATOM 808 CA GLU A 52 -34.535 30.318 9.588 1.00 0.00 C ATOM 809 C GLU A 52 -33.677 31.472 10.086 1.00 0.00 C ATOM 810 O GLU A 52 -33.746 31.895 11.239 1.00 0.00 O ATOM 811 CB GLU A 52 -33.644 29.152 9.182 1.00 0.00 C ATOM 812 CG GLU A 52 -34.045 27.885 9.939 1.00 0.00 C ATOM 813 CD GLU A 52 -33.288 26.684 9.368 1.00 0.00 C ATOM 814 OE1 GLU A 52 -33.735 26.137 8.373 1.00 0.00 O ATOM 815 OE2 GLU A 52 -32.272 26.331 9.936 1.00 0.00 O ATOM 0 H GLU A 52 -34.794 31.153 7.637 1.00 0.00 H new ATOM 0 HA GLU A 52 -35.206 29.999 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -33.724 28.982 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -32.602 29.393 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -33.822 27.997 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -35.120 27.724 9.855 1.00 0.00 H new ATOM 822 N GLY A 53 -32.872 31.980 9.217 1.00 0.00 N ATOM 823 CA GLY A 53 -31.979 33.125 9.574 1.00 0.00 C ATOM 824 C GLY A 53 -30.690 33.069 8.756 1.00 0.00 C ATOM 825 O GLY A 53 -30.541 32.254 7.851 1.00 0.00 O ATOM 0 H GLY A 53 -32.784 31.654 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.494 34.068 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -31.744 33.093 10.638 1.00 0.00 H new ATOM 829 N GLU A 54 -29.754 33.922 9.058 1.00 0.00 N ATOM 830 CA GLU A 54 -28.469 33.920 8.306 1.00 0.00 C ATOM 831 C GLU A 54 -27.382 33.269 9.173 1.00 0.00 C ATOM 832 O GLU A 54 -26.631 33.936 9.883 1.00 0.00 O ATOM 833 CB GLU A 54 -28.084 35.361 7.957 1.00 0.00 C ATOM 834 CG GLU A 54 -27.202 35.367 6.702 1.00 0.00 C ATOM 835 CD GLU A 54 -25.807 35.880 7.054 1.00 0.00 C ATOM 836 OE1 GLU A 54 -25.610 37.085 6.995 1.00 0.00 O ATOM 837 OE2 GLU A 54 -24.958 35.055 7.368 1.00 0.00 O ATOM 0 H GLU A 54 -29.823 34.623 9.796 1.00 0.00 H new ATOM 0 HA GLU A 54 -28.575 33.352 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -28.981 35.957 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -27.551 35.818 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -27.136 34.361 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -27.649 35.999 5.935 1.00 0.00 H new ATOM 844 N GLY A 55 -27.306 31.968 9.148 1.00 0.00 N ATOM 845 CA GLY A 55 -26.286 31.258 9.978 1.00 0.00 C ATOM 846 C GLY A 55 -25.016 31.011 9.159 1.00 0.00 C ATOM 847 O GLY A 55 -24.803 29.919 8.633 1.00 0.00 O ATOM 0 H GLY A 55 -27.906 31.362 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.048 31.851 10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.690 30.309 10.331 1.00 0.00 H new ATOM 943 N LYS A 62 -27.959 26.106 11.929 1.00 0.00 N ATOM 944 CA LYS A 62 -28.717 25.191 12.847 1.00 0.00 C ATOM 945 C LYS A 62 -28.887 25.793 14.266 1.00 0.00 C ATOM 946 O LYS A 62 -29.861 25.499 14.954 1.00 0.00 O ATOM 947 CB LYS A 62 -27.979 23.844 12.943 1.00 0.00 C ATOM 948 CG LYS A 62 -26.497 24.070 13.284 1.00 0.00 C ATOM 949 CD LYS A 62 -25.628 23.156 12.413 1.00 0.00 C ATOM 950 CE LYS A 62 -25.492 23.753 11.014 1.00 0.00 C ATOM 951 NZ LYS A 62 -24.114 23.517 10.507 1.00 0.00 N ATOM 0 HA LYS A 62 -29.714 25.052 12.430 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -28.444 23.221 13.707 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -28.064 23.307 11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -26.229 25.113 13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -26.319 23.861 14.339 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -24.643 23.036 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -26.074 22.163 12.353 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -26.221 23.301 10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -25.703 24.822 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -24.020 23.923 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -23.427 23.968 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.929 22.494 10.467 1.00 0.00 H new ATOM 965 N LYS A 63 -27.971 26.612 14.725 1.00 0.00 N ATOM 966 CA LYS A 63 -28.114 27.195 16.101 1.00 0.00 C ATOM 967 C LYS A 63 -28.840 28.553 16.054 1.00 0.00 C ATOM 968 O LYS A 63 -29.887 28.726 16.676 1.00 0.00 O ATOM 969 CB LYS A 63 -26.727 27.373 16.728 1.00 0.00 C ATOM 970 CG LYS A 63 -26.531 26.326 17.828 1.00 0.00 C ATOM 971 CD LYS A 63 -26.253 27.022 19.166 1.00 0.00 C ATOM 972 CE LYS A 63 -27.395 27.987 19.512 1.00 0.00 C ATOM 973 NZ LYS A 63 -28.273 27.376 20.555 1.00 0.00 N ATOM 0 H LYS A 63 -27.137 26.901 14.214 1.00 0.00 H new ATOM 0 HA LYS A 63 -28.709 26.510 16.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -25.955 27.266 15.966 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -26.629 28.376 17.143 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -27.421 25.702 17.911 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -25.702 25.667 17.571 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -26.145 26.278 19.955 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.311 27.568 19.111 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.989 28.932 19.873 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -27.978 28.211 18.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -29.045 28.033 20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -28.672 26.486 20.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.714 27.184 21.410 1.00 0.00 H new ATOM 987 N ARG A 64 -28.310 29.515 15.339 1.00 0.00 N ATOM 988 CA ARG A 64 -28.974 30.858 15.264 1.00 0.00 C ATOM 989 C ARG A 64 -30.388 30.709 14.683 1.00 0.00 C ATOM 990 O ARG A 64 -31.337 31.354 15.142 1.00 0.00 O ATOM 991 CB ARG A 64 -28.151 31.797 14.368 1.00 0.00 C ATOM 992 CG ARG A 64 -26.803 32.151 15.029 1.00 0.00 C ATOM 993 CD ARG A 64 -26.961 32.337 16.545 1.00 0.00 C ATOM 994 NE ARG A 64 -26.058 33.443 17.007 1.00 0.00 N ATOM 995 CZ ARG A 64 -25.775 33.587 18.269 1.00 0.00 C ATOM 996 NH1 ARG A 64 -26.573 33.151 19.171 1.00 0.00 N ATOM 997 NH2 ARG A 64 -24.694 34.184 18.621 1.00 0.00 N ATOM 0 H ARG A 64 -27.446 29.430 14.803 1.00 0.00 H new ATOM 0 HA ARG A 64 -29.037 31.278 16.268 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -27.973 31.322 13.403 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -28.716 32.709 14.175 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -26.079 31.361 14.830 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -26.407 33.065 14.587 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -27.997 32.573 16.788 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -26.715 31.411 17.064 1.00 0.00 H new ATOM 0 HE ARG A 64 -25.662 34.089 16.324 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -27.440 32.686 18.903 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -26.341 33.269 20.157 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -24.057 34.546 17.911 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -24.473 34.297 19.610 1.00 0.00 H new ATOM 1011 N ALA A 65 -30.550 29.864 13.696 1.00 0.00 N ATOM 1012 CA ALA A 65 -31.899 29.654 13.094 1.00 0.00 C ATOM 1013 C ALA A 65 -32.832 29.054 14.161 1.00 0.00 C ATOM 1014 O ALA A 65 -33.898 29.597 14.460 1.00 0.00 O ATOM 1015 CB ALA A 65 -31.776 28.697 11.907 1.00 0.00 C ATOM 0 H ALA A 65 -29.802 29.309 13.281 1.00 0.00 H new ATOM 0 HA ALA A 65 -32.309 30.602 12.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -32.759 28.540 11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -31.106 29.126 11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -31.376 27.743 12.249 1.00 0.00 H new ATOM 1021 N ALA A 66 -32.432 27.956 14.763 1.00 0.00 N ATOM 1022 CA ALA A 66 -33.269 27.325 15.836 1.00 0.00 C ATOM 1023 C ALA A 66 -33.528 28.352 16.943 1.00 0.00 C ATOM 1024 O ALA A 66 -34.619 28.424 17.511 1.00 0.00 O ATOM 1025 CB ALA A 66 -32.519 26.131 16.430 1.00 0.00 C ATOM 0 H ALA A 66 -31.560 27.469 14.556 1.00 0.00 H new ATOM 0 HA ALA A 66 -34.215 26.991 15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -33.126 25.671 17.210 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -32.320 25.400 15.647 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -31.575 26.470 16.857 1.00 0.00 H new ATOM 1031 N GLU A 67 -32.538 29.150 17.248 1.00 0.00 N ATOM 1032 CA GLU A 67 -32.689 30.192 18.303 1.00 0.00 C ATOM 1033 C GLU A 67 -33.907 31.061 18.001 1.00 0.00 C ATOM 1034 O GLU A 67 -34.686 31.398 18.888 1.00 0.00 O ATOM 1035 CB GLU A 67 -31.446 31.071 18.299 1.00 0.00 C ATOM 1036 CG GLU A 67 -30.442 30.555 19.328 1.00 0.00 C ATOM 1037 CD GLU A 67 -29.136 31.333 19.200 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -29.188 32.544 19.061 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -28.094 30.712 19.233 1.00 0.00 O ATOM 0 H GLU A 67 -31.620 29.122 16.804 1.00 0.00 H new ATOM 0 HA GLU A 67 -32.817 29.714 19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -30.995 31.073 17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -31.718 32.101 18.528 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -30.847 30.666 20.334 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -30.261 29.491 19.173 1.00 0.00 H new ATOM 1046 N LYS A 68 -34.080 31.430 16.763 1.00 0.00 N ATOM 1047 CA LYS A 68 -35.247 32.279 16.387 1.00 0.00 C ATOM 1048 C LYS A 68 -36.522 31.428 16.410 1.00 0.00 C ATOM 1049 O LYS A 68 -37.495 31.763 17.079 1.00 0.00 O ATOM 1050 CB LYS A 68 -35.027 32.850 14.980 1.00 0.00 C ATOM 1051 CG LYS A 68 -33.791 33.757 14.978 1.00 0.00 C ATOM 1052 CD LYS A 68 -34.081 35.022 15.798 1.00 0.00 C ATOM 1053 CE LYS A 68 -32.816 35.471 16.533 1.00 0.00 C ATOM 1054 NZ LYS A 68 -32.471 34.469 17.589 1.00 0.00 N ATOM 0 H LYS A 68 -33.462 31.180 15.991 1.00 0.00 H new ATOM 0 HA LYS A 68 -35.350 33.100 17.096 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -34.896 32.039 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -35.905 33.414 14.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -32.937 33.226 15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -33.527 34.027 13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -34.432 35.818 15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -34.878 34.826 16.515 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -31.990 35.572 15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -32.973 36.451 16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -32.131 34.963 18.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -33.316 33.911 17.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -31.726 33.835 17.236 1.00 0.00 H new ATOM 1068 N MET A 69 -36.523 30.330 15.703 1.00 0.00 N ATOM 1069 CA MET A 69 -37.726 29.440 15.674 1.00 0.00 C ATOM 1070 C MET A 69 -38.248 29.178 17.100 1.00 0.00 C ATOM 1071 O MET A 69 -39.449 29.244 17.354 1.00 0.00 O ATOM 1072 CB MET A 69 -37.348 28.109 15.012 1.00 0.00 C ATOM 1073 CG MET A 69 -37.560 28.209 13.498 1.00 0.00 C ATOM 1074 SD MET A 69 -39.324 28.418 13.153 1.00 0.00 S ATOM 1075 CE MET A 69 -39.166 28.941 11.427 1.00 0.00 C ATOM 0 H MET A 69 -35.737 30.007 15.139 1.00 0.00 H new ATOM 0 HA MET A 69 -38.515 29.931 15.105 1.00 0.00 H new ATOM 0 HB2 MET A 69 -36.308 27.866 15.228 1.00 0.00 H new ATOM 0 HB3 MET A 69 -37.955 27.302 15.422 1.00 0.00 H new ATOM 0 HG2 MET A 69 -36.997 29.051 13.095 1.00 0.00 H new ATOM 0 HG3 MET A 69 -37.186 27.311 13.007 1.00 0.00 H new ATOM 0 HE1 MET A 69 -40.040 28.610 10.865 1.00 0.00 H new ATOM 0 HE2 MET A 69 -39.095 30.028 11.381 1.00 0.00 H new ATOM 0 HE3 MET A 69 -38.268 28.500 10.994 1.00 0.00 H new ATOM 1085 N LEU A 70 -37.380 28.865 18.031 1.00 0.00 N ATOM 1086 CA LEU A 70 -37.852 28.584 19.424 1.00 0.00 C ATOM 1087 C LEU A 70 -38.350 29.869 20.111 1.00 0.00 C ATOM 1088 O LEU A 70 -39.489 29.926 20.576 1.00 0.00 O ATOM 1089 CB LEU A 70 -36.711 27.963 20.243 1.00 0.00 C ATOM 1090 CG LEU A 70 -36.488 26.506 19.819 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -35.638 25.801 20.873 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -37.831 25.780 19.692 1.00 0.00 C ATOM 0 H LEU A 70 -36.373 28.792 17.889 1.00 0.00 H new ATOM 0 HA LEU A 70 -38.685 27.883 19.368 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -35.795 28.536 20.098 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -36.950 28.008 21.306 1.00 0.00 H new ATOM 0 HG LEU A 70 -35.980 26.490 18.855 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -35.476 24.765 20.576 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -34.677 26.307 20.963 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -36.153 25.828 21.833 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -37.659 24.747 19.390 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -38.346 25.797 20.653 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -38.445 26.279 18.942 1.00 0.00 H new ATOM 1104 N VAL A 71 -37.533 30.894 20.202 1.00 0.00 N ATOM 1105 CA VAL A 71 -37.987 32.153 20.877 1.00 0.00 C ATOM 1106 C VAL A 71 -39.263 32.690 20.209 1.00 0.00 C ATOM 1107 O VAL A 71 -40.195 33.115 20.889 1.00 0.00 O ATOM 1108 CB VAL A 71 -36.880 33.220 20.826 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -35.658 32.743 21.613 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -36.464 33.495 19.381 1.00 0.00 C ATOM 0 H VAL A 71 -36.579 30.913 19.841 1.00 0.00 H new ATOM 0 HA VAL A 71 -38.205 31.922 21.920 1.00 0.00 H new ATOM 0 HB VAL A 71 -37.270 34.137 21.268 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -34.879 33.504 21.572 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -35.940 32.568 22.651 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -35.284 31.817 21.177 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -35.680 34.252 19.366 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -36.090 32.576 18.929 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -37.325 33.853 18.816 1.00 0.00 H new ATOM 1120 N GLU A 72 -39.334 32.675 18.902 1.00 0.00 N ATOM 1121 CA GLU A 72 -40.561 33.182 18.213 1.00 0.00 C ATOM 1122 C GLU A 72 -41.750 32.269 18.536 1.00 0.00 C ATOM 1123 O GLU A 72 -42.777 32.717 19.038 1.00 0.00 O ATOM 1124 CB GLU A 72 -40.323 33.208 16.699 1.00 0.00 C ATOM 1125 CG GLU A 72 -40.460 34.647 16.185 1.00 0.00 C ATOM 1126 CD GLU A 72 -39.622 34.829 14.920 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -38.440 35.105 15.049 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -40.178 34.691 13.845 1.00 0.00 O ATOM 0 H GLU A 72 -38.598 32.335 18.283 1.00 0.00 H new ATOM 0 HA GLU A 72 -40.781 34.191 18.561 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.330 32.821 16.469 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -41.041 32.561 16.196 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -41.506 34.869 15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.134 35.349 16.952 1.00 0.00 H new ATOM 1135 N LEU A 73 -41.630 30.993 18.267 1.00 0.00 N ATOM 1136 CA LEU A 73 -42.753 30.049 18.562 1.00 0.00 C ATOM 1137 C LEU A 73 -43.110 30.102 20.052 1.00 0.00 C ATOM 1138 O LEU A 73 -44.265 29.906 20.425 1.00 0.00 O ATOM 1139 CB LEU A 73 -42.325 28.628 18.179 1.00 0.00 C ATOM 1140 CG LEU A 73 -42.534 28.382 16.677 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -43.990 28.012 16.421 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -42.189 29.632 15.864 1.00 0.00 C ATOM 0 H LEU A 73 -40.802 30.563 17.855 1.00 0.00 H new ATOM 0 HA LEU A 73 -43.631 30.337 17.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -41.276 28.478 18.434 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -42.900 27.903 18.754 1.00 0.00 H new ATOM 0 HG LEU A 73 -41.876 27.569 16.369 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -44.139 27.837 15.355 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -44.238 27.107 16.975 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -44.636 28.827 16.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -42.345 29.431 14.804 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -42.830 30.457 16.176 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -41.146 29.899 16.033 1.00 0.00 H new ATOM 1154 N GLN A 74 -42.156 30.377 20.911 1.00 0.00 N ATOM 1155 CA GLN A 74 -42.469 30.465 22.371 1.00 0.00 C ATOM 1156 C GLN A 74 -43.648 31.427 22.564 1.00 0.00 C ATOM 1157 O GLN A 74 -44.513 31.218 23.415 1.00 0.00 O ATOM 1158 CB GLN A 74 -41.244 30.987 23.128 1.00 0.00 C ATOM 1159 CG GLN A 74 -40.455 29.805 23.702 1.00 0.00 C ATOM 1160 CD GLN A 74 -39.864 30.189 25.057 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -38.656 30.320 25.197 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -40.652 30.378 26.070 1.00 0.00 N ATOM 0 H GLN A 74 -41.180 30.543 20.665 1.00 0.00 H new ATOM 0 HA GLN A 74 -42.730 29.479 22.757 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -40.611 31.570 22.459 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -41.557 31.654 23.932 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -41.108 28.939 23.812 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -39.658 29.519 23.015 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -41.660 30.270 25.959 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -40.263 30.635 26.978 1.00 0.00 H new ATOM 1171 N LYS A 75 -43.706 32.460 21.762 1.00 0.00 N ATOM 1172 CA LYS A 75 -44.833 33.429 21.848 1.00 0.00 C ATOM 1173 C LYS A 75 -44.910 34.249 20.558 1.00 0.00 C ATOM 1174 O LYS A 75 -44.465 35.398 20.494 1.00 0.00 O ATOM 1175 CB LYS A 75 -44.640 34.389 22.996 1.00 0.00 C ATOM 1176 CG LYS A 75 -45.330 33.860 24.258 1.00 0.00 C ATOM 1177 CD LYS A 75 -45.728 35.037 25.157 1.00 0.00 C ATOM 1178 CE LYS A 75 -46.917 35.781 24.544 1.00 0.00 C ATOM 1179 NZ LYS A 75 -47.440 36.770 25.536 1.00 0.00 N ATOM 0 H LYS A 75 -43.012 32.673 21.045 1.00 0.00 H new ATOM 0 HA LYS A 75 -45.748 32.857 22.001 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -43.576 34.528 23.187 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -45.047 35.366 22.734 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -46.213 33.281 23.987 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -44.661 33.188 24.796 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -45.988 34.675 26.152 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -44.884 35.717 25.276 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -46.611 36.291 23.630 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -47.700 35.075 24.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -48.249 37.279 25.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -47.746 36.271 26.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -46.690 37.449 25.778 1.00 0.00 H new ATOM 1193 N LEU A 76 -45.468 33.673 19.554 1.00 0.00 N ATOM 1194 CA LEU A 76 -45.616 34.348 18.250 1.00 0.00 C ATOM 1195 C LEU A 76 -46.904 35.204 18.225 1.00 0.00 C ATOM 1196 O LEU A 76 -46.959 36.127 17.426 1.00 0.00 O ATOM 1197 CB LEU A 76 -45.688 33.260 17.180 1.00 0.00 C ATOM 1198 CG LEU A 76 -46.804 32.263 17.507 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -47.765 32.168 16.326 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -46.201 30.887 17.777 1.00 0.00 C ATOM 1201 OXT LEU A 76 -47.815 34.924 18.998 1.00 0.00 O ATOM 0 H LEU A 76 -45.844 32.725 19.580 1.00 0.00 H new ATOM 0 HA LEU A 76 -44.773 35.015 18.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -45.869 33.712 16.205 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -44.733 32.739 17.117 1.00 0.00 H new ATOM 0 HG LEU A 76 -47.342 32.604 18.391 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -48.559 31.458 16.559 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -48.200 33.148 16.131 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -47.224 31.829 15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -46.997 30.180 18.009 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -45.660 30.547 16.894 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -45.514 30.950 18.621 1.00 0.00 H new