USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 71:sc= 1.26 USER MOD Set 1.2: A 45 CYS SG : rot 133:sc= -0.689 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -1.04 F(o=-6.2,f=-5.5) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -4.48! F(o=-6.6,f=-5.5!) USER MOD Set 3.1: A 16 TYR OH : rot -89:sc= 0.885 USER MOD Set 3.2: A 46 SER OG : rot 78:sc= 2.04 USER MOD Set 4.1: A 14 SER OG : rot 43:sc= -0.156 USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.762) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 83:sc= 0.814 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0821 K(o=-0.082,f=-0.9) USER MOD Single : A 42 SER OG : rot 170:sc= -1.57 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -123:sc=-0.00139 (180deg=-0.109) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -25:sc= 0.34 USER MOD Single : A 52 MET CE :methyl -156:sc= -1.67 (180deg=-3.23!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.415 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= 0.123 (180deg=0) USER MOD Single : A 58 SER OG : rot -111:sc= 1.2 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.17) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.908 10.137 -5.262 1.00 0.00 N ATOM 164 CA LYS A 12 -13.943 8.679 -4.943 1.00 0.00 C ATOM 165 C LYS A 12 -14.462 8.463 -3.519 1.00 0.00 C ATOM 166 O LYS A 12 -14.244 9.276 -2.640 1.00 0.00 O ATOM 167 CB LYS A 12 -12.492 8.209 -5.061 1.00 0.00 C ATOM 168 CG LYS A 12 -12.036 8.296 -6.524 1.00 0.00 C ATOM 169 CD LYS A 12 -11.137 9.520 -6.713 1.00 0.00 C ATOM 170 CE LYS A 12 -11.218 9.994 -8.166 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.870 10.550 -8.467 1.00 0.00 N ATOM 0 HA LYS A 12 -14.604 8.127 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.848 8.824 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.402 7.184 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.496 7.390 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.903 8.364 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.448 10.320 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.107 9.271 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.464 9.170 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.993 10.750 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.604 10.306 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.890 11.585 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.174 10.148 -7.807 1.00 0.00 H new ATOM 185 N MET A 13 -15.148 7.372 -3.288 1.00 0.00 N ATOM 186 CA MET A 13 -15.686 7.095 -1.922 1.00 0.00 C ATOM 187 C MET A 13 -14.881 5.975 -1.253 1.00 0.00 C ATOM 188 O MET A 13 -14.065 6.222 -0.386 1.00 0.00 O ATOM 189 CB MET A 13 -17.135 6.661 -2.150 1.00 0.00 C ATOM 190 CG MET A 13 -17.963 7.862 -2.609 1.00 0.00 C ATOM 191 SD MET A 13 -17.909 7.978 -4.415 1.00 0.00 S ATOM 192 CE MET A 13 -18.757 9.569 -4.566 1.00 0.00 C ATOM 0 H MET A 13 -15.359 6.660 -3.988 1.00 0.00 H new ATOM 0 HA MET A 13 -15.621 7.963 -1.266 1.00 0.00 H new ATOM 0 HB2 MET A 13 -17.175 5.871 -2.900 1.00 0.00 H new ATOM 0 HB3 MET A 13 -17.551 6.249 -1.230 1.00 0.00 H new ATOM 0 HG2 MET A 13 -18.994 7.757 -2.271 1.00 0.00 H new ATOM 0 HG3 MET A 13 -17.574 8.777 -2.163 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.836 9.841 -5.619 1.00 0.00 H new ATOM 0 HE2 MET A 13 -19.755 9.491 -4.136 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.191 10.335 -4.035 1.00 0.00 H new ATOM 202 N SER A 14 -15.104 4.746 -1.652 1.00 0.00 N ATOM 203 CA SER A 14 -14.354 3.605 -1.045 1.00 0.00 C ATOM 204 C SER A 14 -14.599 2.324 -1.848 1.00 0.00 C ATOM 205 O SER A 14 -15.260 2.341 -2.870 1.00 0.00 O ATOM 206 CB SER A 14 -14.919 3.463 0.370 1.00 0.00 C ATOM 207 OG SER A 14 -14.222 2.430 1.052 1.00 0.00 O ATOM 0 H SER A 14 -15.775 4.485 -2.374 1.00 0.00 H new ATOM 0 HA SER A 14 -13.278 3.778 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.818 4.404 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.984 3.233 0.328 1.00 0.00 H new ATOM 0 HG SER A 14 -13.262 2.507 0.869 1.00 0.00 H new ATOM 213 N SER A 15 -14.073 1.218 -1.389 1.00 0.00 N ATOM 214 CA SER A 15 -14.274 -0.072 -2.119 1.00 0.00 C ATOM 215 C SER A 15 -15.726 -0.536 -1.981 1.00 0.00 C ATOM 216 O SER A 15 -16.253 -1.218 -2.841 1.00 0.00 O ATOM 217 CB SER A 15 -13.328 -1.068 -1.447 1.00 0.00 C ATOM 218 OG SER A 15 -13.660 -1.172 -0.068 1.00 0.00 O ATOM 0 H SER A 15 -13.512 1.151 -0.540 1.00 0.00 H new ATOM 0 HA SER A 15 -14.069 0.024 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.407 -2.043 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.295 -0.740 -1.561 1.00 0.00 H new ATOM 0 HG SER A 15 -13.057 -1.811 0.366 1.00 0.00 H new ATOM 224 N TYR A 16 -16.375 -0.171 -0.904 1.00 0.00 N ATOM 225 CA TYR A 16 -17.797 -0.587 -0.702 1.00 0.00 C ATOM 226 C TYR A 16 -18.722 0.244 -1.596 1.00 0.00 C ATOM 227 O TYR A 16 -19.772 -0.211 -2.008 1.00 0.00 O ATOM 228 CB TYR A 16 -18.090 -0.313 0.774 1.00 0.00 C ATOM 229 CG TYR A 16 -19.427 -0.913 1.141 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.541 -2.292 1.355 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.553 -0.089 1.267 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.780 -2.848 1.696 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.792 -0.645 1.608 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.905 -2.024 1.821 1.00 0.00 C ATOM 235 OH TYR A 16 -23.127 -2.572 2.157 1.00 0.00 O ATOM 0 H TYR A 16 -15.981 0.398 -0.155 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.960 -1.634 -0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.304 -0.740 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.097 0.761 0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.673 -2.927 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.465 0.975 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.868 -3.911 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.660 -0.010 1.707 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.602 -2.837 1.342 1.00 0.00 H new ATOM 245 N ALA A 17 -18.335 1.457 -1.899 1.00 0.00 N ATOM 246 CA ALA A 17 -19.187 2.324 -2.770 1.00 0.00 C ATOM 247 C ALA A 17 -19.129 1.827 -4.216 1.00 0.00 C ATOM 248 O ALA A 17 -20.127 1.801 -4.912 1.00 0.00 O ATOM 249 CB ALA A 17 -18.582 3.726 -2.659 1.00 0.00 C ATOM 0 H ALA A 17 -17.466 1.885 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.234 2.312 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.156 4.420 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.610 4.053 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.549 3.705 -3.005 1.00 0.00 H new ATOM 255 N PHE A 18 -17.967 1.428 -4.666 1.00 0.00 N ATOM 256 CA PHE A 18 -17.834 0.922 -6.066 1.00 0.00 C ATOM 257 C PHE A 18 -18.515 -0.443 -6.196 1.00 0.00 C ATOM 258 O PHE A 18 -18.995 -0.809 -7.252 1.00 0.00 O ATOM 259 CB PHE A 18 -16.328 0.796 -6.306 1.00 0.00 C ATOM 260 CG PHE A 18 -15.730 2.168 -6.501 1.00 0.00 C ATOM 261 CD1 PHE A 18 -16.210 3.003 -7.518 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.699 2.608 -5.663 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.655 4.275 -7.699 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.144 3.880 -5.844 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.622 4.714 -6.861 1.00 0.00 C ATOM 0 H PHE A 18 -17.103 1.431 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.304 1.585 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.855 0.299 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.140 0.178 -7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.008 2.665 -8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.332 1.966 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.023 4.918 -8.485 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.347 4.218 -5.199 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.194 5.696 -7.000 1.00 0.00 H new ATOM 275 N PHE A 19 -18.560 -1.195 -5.124 1.00 0.00 N ATOM 276 CA PHE A 19 -19.212 -2.541 -5.172 1.00 0.00 C ATOM 277 C PHE A 19 -20.690 -2.399 -5.544 1.00 0.00 C ATOM 278 O PHE A 19 -21.177 -3.056 -6.446 1.00 0.00 O ATOM 279 CB PHE A 19 -19.067 -3.107 -3.757 1.00 0.00 C ATOM 280 CG PHE A 19 -19.415 -4.576 -3.761 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.593 -5.489 -4.432 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.560 -5.024 -3.093 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.915 -6.852 -4.432 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.882 -6.386 -3.094 1.00 0.00 C ATOM 285 CZ PHE A 19 -20.061 -7.300 -3.763 1.00 0.00 C ATOM 0 H PHE A 19 -18.173 -0.935 -4.217 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.757 -3.192 -5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.047 -2.966 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.722 -2.570 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.711 -5.142 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.195 -4.319 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.280 -7.557 -4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.765 -6.732 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.311 -8.351 -3.764 1.00 0.00 H new ATOM 295 N VAL A 20 -21.404 -1.543 -4.858 1.00 0.00 N ATOM 296 CA VAL A 20 -22.854 -1.349 -5.168 1.00 0.00 C ATOM 297 C VAL A 20 -23.009 -0.665 -6.531 1.00 0.00 C ATOM 298 O VAL A 20 -23.976 -0.882 -7.236 1.00 0.00 O ATOM 299 CB VAL A 20 -23.393 -0.455 -4.044 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.879 -0.158 -4.278 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.227 -1.174 -2.703 1.00 0.00 C ATOM 0 H VAL A 20 -21.045 -0.969 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.397 -2.293 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.837 0.483 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.254 0.477 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -25.002 0.353 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.439 -1.093 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.609 -0.542 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.783 -2.112 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.171 -1.381 -2.530 1.00 0.00 H new ATOM 311 N GLN A 21 -22.060 0.157 -6.904 1.00 0.00 N ATOM 312 CA GLN A 21 -22.145 0.858 -8.222 1.00 0.00 C ATOM 313 C GLN A 21 -21.941 -0.141 -9.364 1.00 0.00 C ATOM 314 O GLN A 21 -22.622 -0.093 -10.372 1.00 0.00 O ATOM 315 CB GLN A 21 -21.016 1.891 -8.205 1.00 0.00 C ATOM 316 CG GLN A 21 -21.337 3.014 -9.192 1.00 0.00 C ATOM 317 CD GLN A 21 -21.128 2.514 -10.622 1.00 0.00 C ATOM 318 OE1 GLN A 21 -20.051 2.075 -10.973 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.120 2.563 -11.469 1.00 0.00 N ATOM 0 H GLN A 21 -21.230 0.373 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 21 -23.117 1.326 -8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.896 2.298 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.071 1.417 -8.472 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.367 3.346 -9.059 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.697 3.875 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -23.024 2.932 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.991 2.233 -12.425 1.00 0.00 H new ATOM 328 N THR A 22 -21.007 -1.046 -9.210 1.00 0.00 N ATOM 329 CA THR A 22 -20.751 -2.056 -10.280 1.00 0.00 C ATOM 330 C THR A 22 -21.778 -3.189 -10.196 1.00 0.00 C ATOM 331 O THR A 22 -22.096 -3.823 -11.184 1.00 0.00 O ATOM 332 CB THR A 22 -19.343 -2.586 -10.000 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.433 -1.496 -9.946 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.926 -3.547 -11.113 1.00 0.00 C ATOM 0 H THR A 22 -20.410 -1.128 -8.387 1.00 0.00 H new ATOM 0 HA THR A 22 -20.833 -1.627 -11.279 1.00 0.00 H new ATOM 0 HB THR A 22 -19.336 -3.115 -9.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.453 -1.097 -9.051 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.923 -3.923 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.626 -4.382 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.932 -3.022 -12.068 1.00 0.00 H new ATOM 342 N SER A 23 -22.296 -3.445 -9.020 1.00 0.00 N ATOM 343 CA SER A 23 -23.305 -4.537 -8.864 1.00 0.00 C ATOM 344 C SER A 23 -24.669 -4.084 -9.396 1.00 0.00 C ATOM 345 O SER A 23 -25.478 -4.892 -9.810 1.00 0.00 O ATOM 346 CB SER A 23 -23.377 -4.802 -7.360 1.00 0.00 C ATOM 347 OG SER A 23 -22.146 -5.362 -6.923 1.00 0.00 O ATOM 0 H SER A 23 -22.064 -2.945 -8.162 1.00 0.00 H new ATOM 0 HA SER A 23 -23.030 -5.432 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.578 -3.874 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.199 -5.483 -7.138 1.00 0.00 H new ATOM 0 HG SER A 23 -21.447 -4.676 -6.950 1.00 0.00 H new ATOM 353 N ARG A 24 -24.925 -2.799 -9.392 1.00 0.00 N ATOM 354 CA ARG A 24 -26.236 -2.291 -9.902 1.00 0.00 C ATOM 355 C ARG A 24 -26.303 -2.450 -11.422 1.00 0.00 C ATOM 356 O ARG A 24 -27.300 -2.886 -11.966 1.00 0.00 O ATOM 357 CB ARG A 24 -26.279 -0.811 -9.516 1.00 0.00 C ATOM 358 CG ARG A 24 -27.735 -0.367 -9.346 1.00 0.00 C ATOM 359 CD ARG A 24 -27.903 1.060 -9.876 1.00 0.00 C ATOM 360 NE ARG A 24 -27.150 1.918 -8.920 1.00 0.00 N ATOM 361 CZ ARG A 24 -26.622 3.040 -9.325 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.388 3.996 -9.774 1.00 0.00 N ATOM 363 NH2 ARG A 24 -25.329 3.205 -9.281 1.00 0.00 N ATOM 0 H ARG A 24 -24.283 -2.080 -9.058 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.079 -2.840 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.729 -0.650 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.792 -0.210 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.398 -1.045 -9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.019 -0.411 -8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.507 1.154 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.954 1.344 -9.917 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.047 1.628 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.399 3.866 -9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.976 4.874 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -24.731 2.457 -8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -24.916 4.082 -9.598 1.00 0.00 H new ATOM 377 N GLU A 25 -25.243 -2.102 -12.110 1.00 0.00 N ATOM 378 CA GLU A 25 -25.234 -2.235 -13.601 1.00 0.00 C ATOM 379 C GLU A 25 -25.433 -3.701 -13.993 1.00 0.00 C ATOM 380 O GLU A 25 -26.155 -4.012 -14.921 1.00 0.00 O ATOM 381 CB GLU A 25 -23.853 -1.745 -14.041 1.00 0.00 C ATOM 382 CG GLU A 25 -23.833 -0.215 -14.044 1.00 0.00 C ATOM 383 CD GLU A 25 -22.667 0.278 -14.901 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.847 0.392 -16.103 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.613 0.535 -14.341 1.00 0.00 O ATOM 0 H GLU A 25 -24.384 -1.732 -11.704 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.033 -1.663 -14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.087 -2.128 -13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.620 -2.125 -15.036 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.774 0.171 -14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.734 0.160 -13.025 1.00 0.00 H new ATOM 392 N GLU A 26 -24.804 -4.599 -13.281 1.00 0.00 N ATOM 393 CA GLU A 26 -24.956 -6.053 -13.593 1.00 0.00 C ATOM 394 C GLU A 26 -26.356 -6.539 -13.193 1.00 0.00 C ATOM 395 O GLU A 26 -26.814 -7.567 -13.655 1.00 0.00 O ATOM 396 CB GLU A 26 -23.884 -6.756 -12.757 1.00 0.00 C ATOM 397 CG GLU A 26 -23.907 -8.258 -13.050 1.00 0.00 C ATOM 398 CD GLU A 26 -23.306 -8.517 -14.432 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.158 -8.156 -14.635 1.00 0.00 O ATOM 400 OE2 GLU A 26 -24.002 -9.073 -15.266 1.00 0.00 O ATOM 0 H GLU A 26 -24.190 -4.388 -12.494 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.841 -6.259 -14.657 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.901 -6.345 -12.988 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.062 -6.579 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -23.342 -8.796 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.930 -8.631 -13.011 1.00 0.00 H new ATOM 407 N HIS A 27 -27.036 -5.810 -12.341 1.00 0.00 N ATOM 408 CA HIS A 27 -28.406 -6.227 -11.911 1.00 0.00 C ATOM 409 C HIS A 27 -29.465 -5.495 -12.743 1.00 0.00 C ATOM 410 O HIS A 27 -30.555 -5.228 -12.277 1.00 0.00 O ATOM 411 CB HIS A 27 -28.493 -5.813 -10.439 1.00 0.00 C ATOM 412 CG HIS A 27 -29.722 -6.411 -9.809 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.008 -5.948 -9.687 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.705 -7.650 -9.186 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -31.780 -6.880 -8.999 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -30.946 -7.885 -8.720 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.699 -4.942 -11.924 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.581 -7.294 -12.047 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.602 -6.145 -9.906 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.525 -4.726 -10.359 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -28.852 -8.306 -9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.827 -6.806 -8.746 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.217 -8.729 -8.215 1.00 0.00 H new ATOM 424 N LYS A 28 -29.148 -5.166 -13.970 1.00 0.00 N ATOM 425 CA LYS A 28 -30.134 -4.448 -14.834 1.00 0.00 C ATOM 426 C LYS A 28 -30.321 -5.187 -16.163 1.00 0.00 C ATOM 427 O LYS A 28 -31.431 -5.471 -16.573 1.00 0.00 O ATOM 428 CB LYS A 28 -29.517 -3.069 -15.071 1.00 0.00 C ATOM 429 CG LYS A 28 -30.603 -2.093 -15.526 1.00 0.00 C ATOM 430 CD LYS A 28 -29.957 -0.916 -16.260 1.00 0.00 C ATOM 431 CE LYS A 28 -29.322 0.035 -15.244 1.00 0.00 C ATOM 432 NZ LYS A 28 -28.619 1.060 -16.064 1.00 0.00 N ATOM 0 H LYS A 28 -28.249 -5.363 -14.411 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.118 -4.384 -14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.048 -2.707 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.733 -3.135 -15.826 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.311 -2.600 -16.182 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -31.167 -1.733 -14.666 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.201 -1.279 -16.956 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.705 -0.387 -16.850 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -30.078 0.491 -14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -28.627 -0.492 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -28.158 1.750 -15.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -27.901 0.597 -16.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -29.307 1.550 -16.671 1.00 0.00 H new ATOM 446 N LYS A 29 -29.242 -5.495 -16.836 1.00 0.00 N ATOM 447 CA LYS A 29 -29.346 -6.212 -18.146 1.00 0.00 C ATOM 448 C LYS A 29 -30.002 -7.585 -17.956 1.00 0.00 C ATOM 449 O LYS A 29 -30.611 -8.119 -18.863 1.00 0.00 O ATOM 450 CB LYS A 29 -27.905 -6.372 -18.634 1.00 0.00 C ATOM 451 CG LYS A 29 -27.339 -5.001 -19.008 1.00 0.00 C ATOM 452 CD LYS A 29 -25.812 -5.038 -18.921 1.00 0.00 C ATOM 453 CE LYS A 29 -25.247 -5.742 -20.157 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.809 -5.355 -20.196 1.00 0.00 N ATOM 0 H LYS A 29 -28.291 -5.281 -16.536 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.960 -5.664 -18.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.295 -6.829 -17.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.873 -7.038 -19.496 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.650 -4.730 -20.017 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.734 -4.238 -18.337 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.416 -4.025 -18.854 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.501 -5.562 -18.017 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.363 -6.823 -20.083 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.765 -5.427 -21.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.352 -5.800 -21.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.730 -4.321 -20.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.340 -5.674 -19.324 1.00 0.00 H new ATOM 468 N LYS A 30 -29.877 -8.157 -16.785 1.00 0.00 N ATOM 469 CA LYS A 30 -30.489 -9.499 -16.533 1.00 0.00 C ATOM 470 C LYS A 30 -31.744 -9.365 -15.661 1.00 0.00 C ATOM 471 O LYS A 30 -32.611 -10.218 -15.679 1.00 0.00 O ATOM 472 CB LYS A 30 -29.409 -10.309 -15.805 1.00 0.00 C ATOM 473 CG LYS A 30 -29.001 -9.601 -14.510 1.00 0.00 C ATOM 474 CD LYS A 30 -28.276 -10.590 -13.595 1.00 0.00 C ATOM 475 CE LYS A 30 -26.932 -10.974 -14.219 1.00 0.00 C ATOM 476 NZ LYS A 30 -26.284 -11.864 -13.217 1.00 0.00 N ATOM 0 H LYS A 30 -29.378 -7.753 -15.992 1.00 0.00 H new ATOM 0 HA LYS A 30 -30.801 -9.982 -17.459 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -29.783 -11.308 -15.580 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -28.539 -10.432 -16.450 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -28.352 -8.754 -14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.882 -9.203 -14.007 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.119 -10.144 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.888 -11.480 -13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.071 -11.486 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.322 -10.092 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.356 -12.170 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.159 -11.347 -12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.884 -12.698 -13.054 1.00 0.00 H new ATOM 490 N HIS A 31 -31.845 -8.305 -14.899 1.00 0.00 N ATOM 491 CA HIS A 31 -33.040 -8.118 -14.023 1.00 0.00 C ATOM 492 C HIS A 31 -33.812 -6.853 -14.436 1.00 0.00 C ATOM 493 O HIS A 31 -33.822 -5.875 -13.713 1.00 0.00 O ATOM 494 CB HIS A 31 -32.474 -7.975 -12.608 1.00 0.00 C ATOM 495 CG HIS A 31 -31.757 -9.240 -12.222 1.00 0.00 C ATOM 496 ND1 HIS A 31 -30.546 -9.460 -11.613 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -32.292 -10.496 -12.466 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -30.330 -10.828 -11.481 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -31.411 -11.406 -12.010 1.00 0.00 N flip ATOM 0 H HIS A 31 -31.150 -7.560 -14.846 1.00 0.00 H new ATOM 0 HA HIS A 31 -33.742 -8.949 -14.096 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -31.789 -7.128 -12.563 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.279 -7.771 -11.902 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -33.242 -10.706 -12.936 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -29.472 -11.317 -11.044 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -31.552 -12.415 -12.062 1.00 0.00 H new ATOM 507 N PRO A 32 -34.441 -6.903 -15.592 1.00 0.00 N ATOM 508 CA PRO A 32 -35.213 -5.731 -16.078 1.00 0.00 C ATOM 509 C PRO A 32 -36.509 -5.580 -15.277 1.00 0.00 C ATOM 510 O PRO A 32 -36.827 -4.511 -14.792 1.00 0.00 O ATOM 511 CB PRO A 32 -35.512 -6.073 -17.534 1.00 0.00 C ATOM 512 CG PRO A 32 -35.464 -7.565 -17.602 1.00 0.00 C ATOM 513 CD PRO A 32 -34.495 -8.026 -16.545 1.00 0.00 C ATOM 0 HA PRO A 32 -34.675 -4.789 -15.971 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -36.490 -5.696 -17.835 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -34.778 -5.624 -18.203 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -36.453 -7.990 -17.430 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -35.142 -7.895 -18.590 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -34.837 -8.942 -16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -33.513 -8.237 -16.969 1.00 0.00 H new ATOM 521 N ASP A 33 -37.257 -6.646 -15.138 1.00 0.00 N ATOM 522 CA ASP A 33 -38.536 -6.575 -14.371 1.00 0.00 C ATOM 523 C ASP A 33 -38.299 -6.971 -12.910 1.00 0.00 C ATOM 524 O ASP A 33 -38.890 -7.909 -12.407 1.00 0.00 O ATOM 525 CB ASP A 33 -39.464 -7.579 -15.058 1.00 0.00 C ATOM 526 CG ASP A 33 -39.969 -6.988 -16.377 1.00 0.00 C ATOM 527 OD1 ASP A 33 -39.146 -6.723 -17.238 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.170 -6.813 -16.503 1.00 0.00 O ATOM 0 H ASP A 33 -37.035 -7.564 -15.524 1.00 0.00 H new ATOM 0 HA ASP A 33 -38.959 -5.570 -14.361 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -38.933 -8.512 -15.245 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.306 -7.816 -14.408 1.00 0.00 H new ATOM 533 N SER A 34 -37.438 -6.260 -12.229 1.00 0.00 N ATOM 534 CA SER A 34 -37.154 -6.586 -10.799 1.00 0.00 C ATOM 535 C SER A 34 -36.752 -5.320 -10.037 1.00 0.00 C ATOM 536 O SER A 34 -35.924 -4.551 -10.488 1.00 0.00 O ATOM 537 CB SER A 34 -35.993 -7.577 -10.841 1.00 0.00 C ATOM 538 OG SER A 34 -36.440 -8.800 -11.412 1.00 0.00 O ATOM 0 H SER A 34 -36.918 -5.466 -12.602 1.00 0.00 H new ATOM 0 HA SER A 34 -38.024 -7.000 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.171 -7.167 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.611 -7.750 -9.835 1.00 0.00 H new ATOM 0 HG SER A 34 -35.697 -9.438 -11.442 1.00 0.00 H new ATOM 544 N SER A 35 -37.334 -5.102 -8.885 1.00 0.00 N ATOM 545 CA SER A 35 -36.995 -3.888 -8.084 1.00 0.00 C ATOM 546 C SER A 35 -35.694 -4.115 -7.309 1.00 0.00 C ATOM 547 O SER A 35 -35.421 -5.208 -6.848 1.00 0.00 O ATOM 548 CB SER A 35 -38.167 -3.704 -7.122 1.00 0.00 C ATOM 549 OG SER A 35 -37.976 -2.513 -6.371 1.00 0.00 O ATOM 0 H SER A 35 -38.032 -5.715 -8.464 1.00 0.00 H new ATOM 0 HA SER A 35 -36.844 -3.009 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 35 -39.103 -3.651 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.241 -4.561 -6.453 1.00 0.00 H new ATOM 0 HG SER A 35 -38.728 -2.391 -5.754 1.00 0.00 H new ATOM 555 N VAL A 36 -34.894 -3.090 -7.162 1.00 0.00 N ATOM 556 CA VAL A 36 -33.609 -3.238 -6.417 1.00 0.00 C ATOM 557 C VAL A 36 -33.155 -1.879 -5.867 1.00 0.00 C ATOM 558 O VAL A 36 -32.171 -1.318 -6.311 1.00 0.00 O ATOM 559 CB VAL A 36 -32.614 -3.782 -7.452 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.458 -2.787 -8.606 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.254 -4.008 -6.787 1.00 0.00 C ATOM 0 H VAL A 36 -35.076 -2.155 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.697 -3.903 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.992 -4.727 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.750 -3.183 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.424 -2.632 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.088 -1.837 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.549 -4.394 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.882 -3.064 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.361 -4.727 -5.975 1.00 0.00 H new ATOM 571 N ASN A 37 -33.864 -1.353 -4.898 1.00 0.00 N ATOM 572 CA ASN A 37 -33.474 -0.032 -4.309 1.00 0.00 C ATOM 573 C ASN A 37 -32.067 -0.126 -3.713 1.00 0.00 C ATOM 574 O ASN A 37 -31.426 -1.158 -3.794 1.00 0.00 O ATOM 575 CB ASN A 37 -34.504 0.242 -3.209 1.00 0.00 C ATOM 576 CG ASN A 37 -35.901 0.332 -3.828 1.00 0.00 C ATOM 577 OD1 ASN A 37 -36.049 0.733 -4.965 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.938 -0.027 -3.122 1.00 0.00 N ATOM 0 H ASN A 37 -34.695 -1.780 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.460 0.764 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.476 -0.553 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.263 1.172 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -37.873 0.029 -3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.813 -0.364 -2.167 1.00 0.00 H new ATOM 585 N PHE A 38 -31.578 0.937 -3.121 1.00 0.00 N ATOM 586 CA PHE A 38 -30.207 0.890 -2.529 1.00 0.00 C ATOM 587 C PHE A 38 -30.208 0.036 -1.265 1.00 0.00 C ATOM 588 O PHE A 38 -29.297 -0.718 -1.038 1.00 0.00 O ATOM 589 CB PHE A 38 -29.836 2.331 -2.187 1.00 0.00 C ATOM 590 CG PHE A 38 -29.861 3.172 -3.441 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.846 3.028 -4.394 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.895 4.091 -3.652 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.864 3.803 -5.559 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.913 4.867 -4.819 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.897 4.722 -5.772 1.00 0.00 C ATOM 0 H PHE A 38 -32.065 1.828 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.492 0.450 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.535 2.733 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.845 2.364 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -28.049 2.318 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.678 4.202 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -28.080 3.692 -6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.710 5.577 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.911 5.320 -6.671 1.00 0.00 H new ATOM 605 N ALA A 39 -31.215 0.152 -0.439 1.00 0.00 N ATOM 606 CA ALA A 39 -31.245 -0.662 0.815 1.00 0.00 C ATOM 607 C ALA A 39 -31.535 -2.123 0.496 1.00 0.00 C ATOM 608 O ALA A 39 -30.898 -3.013 1.025 1.00 0.00 O ATOM 609 CB ALA A 39 -32.357 -0.058 1.673 1.00 0.00 C ATOM 0 H ALA A 39 -32.014 0.771 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.287 -0.641 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.433 -0.609 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.127 0.986 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.304 -0.120 1.137 1.00 0.00 H new ATOM 615 N GLU A 40 -32.472 -2.381 -0.376 1.00 0.00 N ATOM 616 CA GLU A 40 -32.775 -3.797 -0.738 1.00 0.00 C ATOM 617 C GLU A 40 -31.544 -4.446 -1.387 1.00 0.00 C ATOM 618 O GLU A 40 -31.460 -5.656 -1.491 1.00 0.00 O ATOM 619 CB GLU A 40 -33.936 -3.724 -1.732 1.00 0.00 C ATOM 620 CG GLU A 40 -35.236 -3.436 -0.978 1.00 0.00 C ATOM 621 CD GLU A 40 -36.425 -3.604 -1.927 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.523 -4.653 -2.542 1.00 0.00 O ATOM 623 OE2 GLU A 40 -37.217 -2.681 -2.020 1.00 0.00 O ATOM 0 H GLU A 40 -33.038 -1.678 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.033 -4.399 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.750 -2.942 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.020 -4.663 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.335 -4.114 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.219 -2.423 -0.576 1.00 0.00 H new ATOM 630 N PHE A 41 -30.591 -3.654 -1.831 1.00 0.00 N ATOM 631 CA PHE A 41 -29.378 -4.228 -2.475 1.00 0.00 C ATOM 632 C PHE A 41 -28.141 -4.028 -1.593 1.00 0.00 C ATOM 633 O PHE A 41 -27.357 -4.937 -1.394 1.00 0.00 O ATOM 634 CB PHE A 41 -29.240 -3.463 -3.791 1.00 0.00 C ATOM 635 CG PHE A 41 -28.351 -4.230 -4.739 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.643 -5.562 -5.053 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.235 -3.605 -5.307 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.819 -6.269 -5.936 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.411 -4.312 -6.189 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.703 -5.645 -6.504 1.00 0.00 C ATOM 0 H PHE A 41 -30.608 -2.636 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.465 -5.303 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.222 -3.314 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.821 -2.474 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.504 -6.044 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.010 -2.577 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.045 -7.297 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.550 -3.830 -6.627 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.067 -6.191 -7.185 1.00 0.00 H new ATOM 650 N SER A 42 -27.966 -2.848 -1.060 1.00 0.00 N ATOM 651 CA SER A 42 -26.784 -2.571 -0.179 1.00 0.00 C ATOM 652 C SER A 42 -26.754 -3.561 0.993 1.00 0.00 C ATOM 653 O SER A 42 -25.713 -3.830 1.561 1.00 0.00 O ATOM 654 CB SER A 42 -26.991 -1.139 0.324 1.00 0.00 C ATOM 655 OG SER A 42 -28.123 -1.101 1.181 1.00 0.00 O ATOM 0 H SER A 42 -28.594 -2.056 -1.196 1.00 0.00 H new ATOM 0 HA SER A 42 -25.837 -2.681 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.104 -0.797 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.136 -0.463 -0.519 1.00 0.00 H new ATOM 0 HG SER A 42 -28.165 -0.231 1.629 1.00 0.00 H new ATOM 661 N LYS A 43 -27.891 -4.110 1.347 1.00 0.00 N ATOM 662 CA LYS A 43 -27.939 -5.092 2.467 1.00 0.00 C ATOM 663 C LYS A 43 -27.498 -6.470 1.967 1.00 0.00 C ATOM 664 O LYS A 43 -26.952 -7.265 2.709 1.00 0.00 O ATOM 665 CB LYS A 43 -29.406 -5.125 2.902 1.00 0.00 C ATOM 666 CG LYS A 43 -29.595 -4.248 4.142 1.00 0.00 C ATOM 667 CD LYS A 43 -31.041 -4.361 4.633 1.00 0.00 C ATOM 668 CE LYS A 43 -31.428 -3.082 5.378 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.725 -3.399 6.037 1.00 0.00 N ATOM 0 H LYS A 43 -28.789 -3.917 0.904 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.278 -4.820 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.044 -4.770 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.708 -6.149 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.907 -4.559 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.360 -3.210 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.712 -4.520 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.147 -5.224 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.669 -2.807 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.529 -2.241 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -33.056 -2.569 6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.429 -3.651 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -32.597 -4.199 6.689 1.00 0.00 H new ATOM 683 N LYS A 44 -27.733 -6.755 0.710 1.00 0.00 N ATOM 684 CA LYS A 44 -27.334 -8.077 0.146 1.00 0.00 C ATOM 685 C LYS A 44 -25.883 -8.028 -0.343 1.00 0.00 C ATOM 686 O LYS A 44 -25.129 -8.964 -0.159 1.00 0.00 O ATOM 687 CB LYS A 44 -28.287 -8.311 -1.027 1.00 0.00 C ATOM 688 CG LYS A 44 -28.453 -9.814 -1.260 1.00 0.00 C ATOM 689 CD LYS A 44 -27.407 -10.292 -2.269 1.00 0.00 C ATOM 690 CE LYS A 44 -27.861 -9.930 -3.685 1.00 0.00 C ATOM 691 NZ LYS A 44 -28.806 -11.013 -4.076 1.00 0.00 N ATOM 0 H LYS A 44 -28.186 -6.124 0.049 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.393 -8.876 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.255 -7.856 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.897 -7.834 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.340 -10.353 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.456 -10.027 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.443 -9.830 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -27.270 -11.370 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.348 -8.955 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.015 -9.879 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.474 -11.464 -4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -28.853 -11.723 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -29.752 -10.609 -4.231 1.00 0.00 H new ATOM 705 N CYS A 45 -25.491 -6.942 -0.963 1.00 0.00 N ATOM 706 CA CYS A 45 -24.085 -6.828 -1.464 1.00 0.00 C ATOM 707 C CYS A 45 -23.102 -6.934 -0.294 1.00 0.00 C ATOM 708 O CYS A 45 -21.989 -7.400 -0.448 1.00 0.00 O ATOM 709 CB CYS A 45 -23.995 -5.449 -2.122 1.00 0.00 C ATOM 710 SG CYS A 45 -24.654 -5.541 -3.805 1.00 0.00 S ATOM 0 H CYS A 45 -26.082 -6.131 -1.144 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.834 -7.622 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.556 -4.719 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.959 -5.111 -2.143 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.474 -4.552 -4.005 1.00 0.00 H new ATOM 716 N SER A 46 -23.511 -6.512 0.875 1.00 0.00 N ATOM 717 CA SER A 46 -22.611 -6.594 2.065 1.00 0.00 C ATOM 718 C SER A 46 -22.490 -8.048 2.526 1.00 0.00 C ATOM 719 O SER A 46 -21.447 -8.481 2.980 1.00 0.00 O ATOM 720 CB SER A 46 -23.265 -5.733 3.138 1.00 0.00 C ATOM 721 OG SER A 46 -22.394 -4.660 3.472 1.00 0.00 O ATOM 0 H SER A 46 -24.432 -6.113 1.057 1.00 0.00 H new ATOM 0 HA SER A 46 -21.603 -6.245 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 46 -24.218 -5.345 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.478 -6.333 4.023 1.00 0.00 H new ATOM 0 HG SER A 46 -22.451 -3.966 2.783 1.00 0.00 H new ATOM 727 N GLU A 47 -23.551 -8.806 2.402 1.00 0.00 N ATOM 728 CA GLU A 47 -23.507 -10.240 2.822 1.00 0.00 C ATOM 729 C GLU A 47 -22.476 -10.998 1.981 1.00 0.00 C ATOM 730 O GLU A 47 -21.898 -11.971 2.425 1.00 0.00 O ATOM 731 CB GLU A 47 -24.914 -10.782 2.564 1.00 0.00 C ATOM 732 CG GLU A 47 -25.776 -10.577 3.811 1.00 0.00 C ATOM 733 CD GLU A 47 -25.286 -11.499 4.929 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.639 -12.666 4.906 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.563 -11.022 5.788 1.00 0.00 O ATOM 0 H GLU A 47 -24.447 -8.493 2.028 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.218 -10.355 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.361 -10.271 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.867 -11.841 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.725 -9.537 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.821 -10.789 3.583 1.00 0.00 H new ATOM 742 N ARG A 48 -22.244 -10.553 0.770 1.00 0.00 N ATOM 743 CA ARG A 48 -21.249 -11.235 -0.109 1.00 0.00 C ATOM 744 C ARG A 48 -19.894 -10.527 -0.007 1.00 0.00 C ATOM 745 O ARG A 48 -18.856 -11.159 0.044 1.00 0.00 O ATOM 746 CB ARG A 48 -21.816 -11.109 -1.523 1.00 0.00 C ATOM 747 CG ARG A 48 -21.141 -12.131 -2.439 1.00 0.00 C ATOM 748 CD ARG A 48 -21.915 -12.226 -3.756 1.00 0.00 C ATOM 749 NE ARG A 48 -21.497 -11.029 -4.537 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.241 -11.137 -5.811 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.215 -11.330 -6.658 1.00 0.00 N ATOM 752 NH2 ARG A 48 -20.011 -11.053 -6.239 1.00 0.00 N ATOM 0 H ARG A 48 -22.704 -9.744 0.353 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.090 -12.276 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.893 -11.273 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.652 -10.101 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.109 -11.837 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.109 -13.106 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.677 -13.147 -4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.991 -12.228 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.411 -10.124 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -23.176 -11.396 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.015 -11.414 -7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.250 -10.903 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.811 -11.138 -7.236 1.00 0.00 H new ATOM 766 N TRP A 49 -19.904 -9.218 0.029 1.00 0.00 N ATOM 767 CA TRP A 49 -18.621 -8.452 0.136 1.00 0.00 C ATOM 768 C TRP A 49 -17.892 -8.839 1.430 1.00 0.00 C ATOM 769 O TRP A 49 -16.686 -9.007 1.447 1.00 0.00 O ATOM 770 CB TRP A 49 -19.043 -6.973 0.159 1.00 0.00 C ATOM 771 CG TRP A 49 -17.850 -6.093 0.377 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.584 -5.421 1.521 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.763 -5.781 -0.542 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.405 -4.717 1.363 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.861 -4.907 0.108 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.474 -6.169 -1.863 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.713 -4.433 -0.529 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.320 -5.694 -2.507 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.442 -4.827 -1.840 1.00 0.00 C ATOM 0 H TRP A 49 -20.746 -8.644 -0.011 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.936 -8.659 -0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.528 -6.712 -0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.774 -6.809 0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.194 -5.433 2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.988 -4.129 2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.144 -6.836 -2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.039 -3.766 -0.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.107 -5.998 -3.521 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.557 -4.464 -2.341 1.00 0.00 H new ATOM 790 N LYS A 50 -18.618 -8.976 2.508 1.00 0.00 N ATOM 791 CA LYS A 50 -17.979 -9.350 3.807 1.00 0.00 C ATOM 792 C LYS A 50 -17.408 -10.774 3.745 1.00 0.00 C ATOM 793 O LYS A 50 -16.592 -11.153 4.564 1.00 0.00 O ATOM 794 CB LYS A 50 -19.102 -9.264 4.843 1.00 0.00 C ATOM 795 CG LYS A 50 -19.394 -7.795 5.156 1.00 0.00 C ATOM 796 CD LYS A 50 -19.869 -7.664 6.604 1.00 0.00 C ATOM 797 CE LYS A 50 -21.366 -7.978 6.681 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.739 -7.726 8.100 1.00 0.00 N ATOM 0 H LYS A 50 -19.629 -8.845 2.546 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.144 -8.693 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.000 -9.752 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.814 -9.791 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.498 -7.194 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.156 -7.412 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.310 -8.346 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.679 -6.655 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.938 -7.344 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.568 -9.011 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.752 -7.920 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.184 -8.349 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.542 -6.733 8.340 1.00 0.00 H new ATOM 812 N THR A 51 -17.823 -11.562 2.782 1.00 0.00 N ATOM 813 CA THR A 51 -17.296 -12.959 2.671 1.00 0.00 C ATOM 814 C THR A 51 -16.562 -13.172 1.335 1.00 0.00 C ATOM 815 O THR A 51 -16.048 -14.244 1.075 1.00 0.00 O ATOM 816 CB THR A 51 -18.534 -13.861 2.762 1.00 0.00 C ATOM 817 OG1 THR A 51 -18.127 -15.221 2.709 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.490 -13.568 1.600 1.00 0.00 C ATOM 0 H THR A 51 -18.503 -11.298 2.069 1.00 0.00 H new ATOM 0 HA THR A 51 -16.570 -13.179 3.453 1.00 0.00 H new ATOM 0 HB THR A 51 -19.050 -13.665 3.702 1.00 0.00 H new ATOM 0 HG1 THR A 51 -17.264 -15.287 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.364 -14.215 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.805 -12.525 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.981 -13.755 0.654 1.00 0.00 H new ATOM 826 N MET A 52 -16.508 -12.168 0.487 1.00 0.00 N ATOM 827 CA MET A 52 -15.807 -12.328 -0.827 1.00 0.00 C ATOM 828 C MET A 52 -14.338 -12.701 -0.602 1.00 0.00 C ATOM 829 O MET A 52 -13.816 -12.570 0.489 1.00 0.00 O ATOM 830 CB MET A 52 -15.915 -10.961 -1.510 1.00 0.00 C ATOM 831 CG MET A 52 -17.213 -10.893 -2.324 1.00 0.00 C ATOM 832 SD MET A 52 -16.869 -11.251 -4.066 1.00 0.00 S ATOM 833 CE MET A 52 -16.342 -9.585 -4.538 1.00 0.00 C ATOM 0 H MET A 52 -16.918 -11.248 0.649 1.00 0.00 H new ATOM 0 HA MET A 52 -16.247 -13.120 -1.433 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.901 -10.168 -0.763 1.00 0.00 H new ATOM 0 HB3 MET A 52 -15.056 -10.800 -2.162 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.936 -11.609 -1.933 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.661 -9.904 -2.229 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.485 -9.448 -5.610 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.935 -8.849 -3.996 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.288 -9.454 -4.293 1.00 0.00 H new ATOM 843 N SER A 53 -13.671 -13.168 -1.628 1.00 0.00 N ATOM 844 CA SER A 53 -12.236 -13.555 -1.484 1.00 0.00 C ATOM 845 C SER A 53 -11.330 -12.357 -1.778 1.00 0.00 C ATOM 846 O SER A 53 -11.766 -11.354 -2.310 1.00 0.00 O ATOM 847 CB SER A 53 -12.018 -14.658 -2.519 1.00 0.00 C ATOM 848 OG SER A 53 -12.320 -14.153 -3.813 1.00 0.00 O ATOM 0 H SER A 53 -14.061 -13.298 -2.562 1.00 0.00 H new ATOM 0 HA SER A 53 -11.999 -13.890 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.986 -15.007 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.652 -15.515 -2.293 1.00 0.00 H new ATOM 0 HG SER A 53 -12.180 -14.857 -4.480 1.00 0.00 H new ATOM 854 N ALA A 54 -10.072 -12.458 -1.432 1.00 0.00 N ATOM 855 CA ALA A 54 -9.123 -11.330 -1.686 1.00 0.00 C ATOM 856 C ALA A 54 -8.935 -11.114 -3.193 1.00 0.00 C ATOM 857 O ALA A 54 -8.574 -10.037 -3.630 1.00 0.00 O ATOM 858 CB ALA A 54 -7.804 -11.758 -1.039 1.00 0.00 C ATOM 0 H ALA A 54 -9.659 -13.276 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.492 -10.390 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.057 -10.978 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.957 -11.918 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.457 -12.683 -1.499 1.00 0.00 H new ATOM 864 N LYS A 55 -9.179 -12.127 -3.988 1.00 0.00 N ATOM 865 CA LYS A 55 -9.016 -11.979 -5.467 1.00 0.00 C ATOM 866 C LYS A 55 -10.163 -11.142 -6.035 1.00 0.00 C ATOM 867 O LYS A 55 -10.005 -10.439 -7.016 1.00 0.00 O ATOM 868 CB LYS A 55 -9.063 -13.404 -6.024 1.00 0.00 C ATOM 869 CG LYS A 55 -7.765 -14.133 -5.671 1.00 0.00 C ATOM 870 CD LYS A 55 -7.763 -15.516 -6.326 1.00 0.00 C ATOM 871 CE LYS A 55 -7.529 -15.369 -7.832 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.130 -16.728 -8.293 1.00 0.00 N ATOM 0 H LYS A 55 -9.484 -13.049 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.087 -11.475 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.917 -13.940 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.196 -13.379 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.906 -13.555 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.673 -14.231 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.983 -16.137 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.713 -16.018 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.431 -15.028 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.749 -14.636 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.952 -16.709 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.265 -17.023 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.894 -17.403 -8.087 1.00 0.00 H new ATOM 886 N GLU A 56 -11.314 -11.214 -5.419 1.00 0.00 N ATOM 887 CA GLU A 56 -12.484 -10.427 -5.908 1.00 0.00 C ATOM 888 C GLU A 56 -12.576 -9.102 -5.148 1.00 0.00 C ATOM 889 O GLU A 56 -12.969 -8.089 -5.694 1.00 0.00 O ATOM 890 CB GLU A 56 -13.698 -11.304 -5.610 1.00 0.00 C ATOM 891 CG GLU A 56 -13.608 -12.594 -6.428 1.00 0.00 C ATOM 892 CD GLU A 56 -15.012 -13.161 -6.645 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.535 -13.763 -5.722 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.539 -12.983 -7.730 1.00 0.00 O ATOM 0 H GLU A 56 -11.494 -11.787 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.410 -10.182 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.739 -11.537 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.616 -10.769 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.132 -12.395 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.986 -13.323 -5.909 1.00 0.00 H new ATOM 901 N LYS A 57 -12.211 -9.107 -3.892 1.00 0.00 N ATOM 902 CA LYS A 57 -12.268 -7.852 -3.083 1.00 0.00 C ATOM 903 C LYS A 57 -11.134 -6.905 -3.492 1.00 0.00 C ATOM 904 O LYS A 57 -11.230 -5.704 -3.324 1.00 0.00 O ATOM 905 CB LYS A 57 -12.092 -8.301 -1.631 1.00 0.00 C ATOM 906 CG LYS A 57 -13.466 -8.499 -0.987 1.00 0.00 C ATOM 907 CD LYS A 57 -13.311 -8.572 0.533 1.00 0.00 C ATOM 908 CE LYS A 57 -12.571 -9.857 0.910 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.147 -10.262 2.223 1.00 0.00 N ATOM 0 H LYS A 57 -11.875 -9.929 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.203 -7.312 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.524 -9.230 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.522 -7.556 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.128 -7.676 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.926 -9.414 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.761 -7.703 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.291 -8.551 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.718 -10.632 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.497 -9.686 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.377 -10.453 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.746 -9.495 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.721 -11.121 2.100 1.00 0.00 H new ATOM 923 N SER A 58 -10.062 -7.439 -4.027 1.00 0.00 N ATOM 924 CA SER A 58 -8.919 -6.571 -4.447 1.00 0.00 C ATOM 925 C SER A 58 -9.314 -5.727 -5.663 1.00 0.00 C ATOM 926 O SER A 58 -8.842 -4.620 -5.837 1.00 0.00 O ATOM 927 CB SER A 58 -7.791 -7.538 -4.812 1.00 0.00 C ATOM 928 OG SER A 58 -8.286 -8.514 -5.720 1.00 0.00 O ATOM 0 H SER A 58 -9.930 -8.437 -4.190 1.00 0.00 H new ATOM 0 HA SER A 58 -8.621 -5.878 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.961 -6.994 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.406 -8.022 -3.914 1.00 0.00 H new ATOM 0 HG SER A 58 -8.314 -9.388 -5.278 1.00 0.00 H new ATOM 934 N LYS A 59 -10.178 -6.244 -6.500 1.00 0.00 N ATOM 935 CA LYS A 59 -10.609 -5.475 -7.708 1.00 0.00 C ATOM 936 C LYS A 59 -11.364 -4.211 -7.286 1.00 0.00 C ATOM 937 O LYS A 59 -11.309 -3.194 -7.951 1.00 0.00 O ATOM 938 CB LYS A 59 -11.535 -6.419 -8.479 1.00 0.00 C ATOM 939 CG LYS A 59 -11.629 -5.963 -9.936 1.00 0.00 C ATOM 940 CD LYS A 59 -12.288 -7.061 -10.774 1.00 0.00 C ATOM 941 CE LYS A 59 -13.808 -6.987 -10.608 1.00 0.00 C ATOM 942 NZ LYS A 59 -14.348 -7.996 -11.561 1.00 0.00 N ATOM 0 H LYS A 59 -10.604 -7.165 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.762 -5.155 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.155 -7.439 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.526 -6.426 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.209 -5.042 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.635 -5.742 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.020 -6.942 -11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.925 -8.040 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.105 -7.213 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.182 -5.989 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.386 -8.005 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.055 -7.752 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.980 -8.937 -11.315 1.00 0.00 H new ATOM 956 N PHE A 60 -12.067 -4.271 -6.183 1.00 0.00 N ATOM 957 CA PHE A 60 -12.829 -3.079 -5.707 1.00 0.00 C ATOM 958 C PHE A 60 -11.960 -2.237 -4.768 1.00 0.00 C ATOM 959 O PHE A 60 -12.119 -1.034 -4.675 1.00 0.00 O ATOM 960 CB PHE A 60 -14.032 -3.652 -4.958 1.00 0.00 C ATOM 961 CG PHE A 60 -15.047 -4.163 -5.952 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.865 -3.261 -6.644 1.00 0.00 C ATOM 963 CD2 PHE A 60 -15.172 -5.538 -6.181 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.806 -3.734 -7.566 1.00 0.00 C ATOM 965 CE2 PHE A 60 -16.113 -6.012 -7.103 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.930 -5.111 -7.795 1.00 0.00 C ATOM 0 H PHE A 60 -12.145 -5.098 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.133 -2.427 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.713 -4.460 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.480 -2.885 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.770 -2.200 -6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.542 -6.234 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.436 -3.038 -8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.208 -7.073 -7.280 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.656 -5.477 -8.506 1.00 0.00 H new ATOM 976 N GLU A 61 -11.045 -2.864 -4.074 1.00 0.00 N ATOM 977 CA GLU A 61 -10.159 -2.109 -3.139 1.00 0.00 C ATOM 978 C GLU A 61 -8.991 -1.484 -3.907 1.00 0.00 C ATOM 979 O GLU A 61 -8.476 -0.447 -3.533 1.00 0.00 O ATOM 980 CB GLU A 61 -9.649 -3.153 -2.144 1.00 0.00 C ATOM 981 CG GLU A 61 -9.176 -2.454 -0.868 1.00 0.00 C ATOM 982 CD GLU A 61 -7.789 -1.850 -1.099 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.843 -2.613 -1.200 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.699 -0.636 -1.171 1.00 0.00 O ATOM 0 H GLU A 61 -10.873 -3.869 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.684 -1.294 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.441 -3.864 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.830 -3.721 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.882 -1.673 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.141 -3.165 -0.043 1.00 0.00 H new ATOM 991 N ASP A 62 -8.574 -2.109 -4.979 1.00 0.00 N ATOM 992 CA ASP A 62 -7.441 -1.559 -5.781 1.00 0.00 C ATOM 993 C ASP A 62 -7.951 -0.486 -6.746 1.00 0.00 C ATOM 994 O ASP A 62 -7.236 0.434 -7.097 1.00 0.00 O ATOM 995 CB ASP A 62 -6.885 -2.756 -6.555 1.00 0.00 C ATOM 996 CG ASP A 62 -5.507 -2.403 -7.120 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.447 -1.557 -7.996 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.537 -2.987 -6.666 1.00 0.00 O ATOM 0 H ASP A 62 -8.971 -2.979 -5.334 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.681 -1.090 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.810 -3.623 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.563 -3.026 -7.364 1.00 0.00 H new ATOM 1003 N MET A 63 -9.183 -0.597 -7.172 1.00 0.00 N ATOM 1004 CA MET A 63 -9.750 0.415 -8.115 1.00 0.00 C ATOM 1005 C MET A 63 -10.135 1.687 -7.354 1.00 0.00 C ATOM 1006 O MET A 63 -10.108 2.777 -7.895 1.00 0.00 O ATOM 1007 CB MET A 63 -10.992 -0.247 -8.715 1.00 0.00 C ATOM 1008 CG MET A 63 -10.579 -1.135 -9.890 1.00 0.00 C ATOM 1009 SD MET A 63 -12.054 -1.654 -10.802 1.00 0.00 S ATOM 1010 CE MET A 63 -11.379 -1.437 -12.466 1.00 0.00 C ATOM 0 H MET A 63 -9.823 -1.346 -6.907 1.00 0.00 H new ATOM 0 HA MET A 63 -9.035 0.707 -8.884 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.502 -0.842 -7.957 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.697 0.514 -9.050 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.903 -0.592 -10.550 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.037 -2.008 -9.527 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.135 -1.706 -13.203 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.088 -0.396 -12.608 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.506 -2.078 -12.591 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.491 1.552 -6.101 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.877 2.749 -5.294 1.00 0.00 C ATOM 1022 C ALA A 64 -9.626 3.488 -4.815 1.00 0.00 C ATOM 1023 O ALA A 64 -9.614 4.699 -4.704 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.660 2.191 -4.103 1.00 0.00 C ATOM 0 H ALA A 64 -10.531 0.663 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.467 3.462 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.979 3.012 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.535 1.651 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.024 1.512 -3.535 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.572 2.763 -4.534 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.312 3.414 -4.065 1.00 0.00 C ATOM 1032 C LYS A 65 -6.526 3.962 -5.258 1.00 0.00 C ATOM 1033 O LYS A 65 -5.818 4.946 -5.145 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.525 2.303 -3.369 1.00 0.00 C ATOM 1035 CG LYS A 65 -5.589 2.915 -2.326 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.289 3.355 -3.001 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.168 3.422 -1.961 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.910 3.260 -2.740 1.00 0.00 N ATOM 0 H LYS A 65 -8.531 1.747 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.505 4.254 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.210 1.602 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.950 1.737 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.069 3.768 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.376 2.188 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.023 2.654 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.423 4.330 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.182 4.372 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.274 2.635 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.095 3.295 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.922 2.344 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.832 4.027 -3.438 1.00 0.00 H new ATOM 1052 N SER A 66 -6.648 3.332 -6.398 1.00 0.00 N ATOM 1053 CA SER A 66 -5.911 3.813 -7.609 1.00 0.00 C ATOM 1054 C SER A 66 -6.456 5.174 -8.048 1.00 0.00 C ATOM 1055 O SER A 66 -5.729 6.010 -8.550 1.00 0.00 O ATOM 1056 CB SER A 66 -6.172 2.759 -8.686 1.00 0.00 C ATOM 1057 OG SER A 66 -5.537 3.157 -9.894 1.00 0.00 O ATOM 0 H SER A 66 -7.226 2.505 -6.544 1.00 0.00 H new ATOM 0 HA SER A 66 -4.845 3.940 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.791 1.790 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.244 2.643 -8.846 1.00 0.00 H new ATOM 0 HG SER A 66 -5.700 2.483 -10.587 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.731 5.400 -7.857 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.335 6.705 -8.258 1.00 0.00 C ATOM 1065 C ASP A 67 -8.170 7.730 -7.132 1.00 0.00 C ATOM 1066 O ASP A 67 -8.084 8.920 -7.374 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.815 6.401 -8.493 1.00 0.00 C ATOM 1068 CG ASP A 67 -9.984 5.690 -9.837 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -9.642 4.522 -9.913 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.452 6.326 -10.767 1.00 0.00 O ATOM 0 H ASP A 67 -8.381 4.734 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.860 7.126 -9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.201 5.776 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.393 7.325 -8.484 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.122 7.274 -5.907 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.959 8.216 -4.757 1.00 0.00 C ATOM 1077 C LYS A 68 -6.554 8.822 -4.767 1.00 0.00 C ATOM 1078 O LYS A 68 -6.360 9.967 -4.401 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.165 7.362 -3.503 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.693 8.241 -2.367 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.517 8.867 -1.615 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.044 9.707 -0.450 1.00 0.00 C ATOM 1083 NZ LYS A 68 -8.346 8.724 0.627 1.00 0.00 N ATOM 0 H LYS A 68 -8.189 6.289 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.665 9.045 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.869 6.556 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.225 6.896 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.339 9.022 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.299 7.646 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.853 8.087 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.930 9.490 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.303 10.436 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.935 10.265 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.300 8.901 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.299 7.760 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.650 8.823 1.393 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.574 8.061 -5.186 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.175 8.587 -5.227 1.00 0.00 C ATOM 1099 C ALA A 69 -4.009 9.546 -6.408 1.00 0.00 C ATOM 1100 O ALA A 69 -3.212 10.465 -6.364 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.288 7.353 -5.407 1.00 0.00 C ATOM 0 H ALA A 69 -5.683 7.097 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.916 9.143 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.243 7.659 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.436 6.673 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.553 6.847 -6.335 1.00 0.00 H new ATOM 1107 N ARG A 70 -4.757 9.336 -7.461 1.00 0.00 N ATOM 1108 CA ARG A 70 -4.650 10.235 -8.653 1.00 0.00 C ATOM 1109 C ARG A 70 -5.263 11.603 -8.339 1.00 0.00 C ATOM 1110 O ARG A 70 -4.875 12.608 -8.905 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.444 9.533 -9.758 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.044 10.107 -11.118 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.326 9.074 -12.211 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.626 9.592 -13.419 1.00 0.00 N ATOM 1115 CZ ARG A 70 -3.956 8.777 -14.185 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -2.752 8.403 -13.843 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.487 8.333 -15.291 1.00 0.00 N ATOM 0 H ARG A 70 -5.438 8.581 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.614 10.408 -8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.251 8.460 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.513 9.669 -9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.601 11.023 -11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.986 10.371 -11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.952 8.089 -11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.396 8.970 -12.389 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.671 10.585 -13.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.337 8.749 -12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.227 7.765 -14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.428 8.623 -15.558 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.961 7.695 -15.889 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.216 11.646 -7.442 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.860 12.949 -7.085 1.00 0.00 C ATOM 1133 C TYR A 71 -5.817 13.921 -6.527 1.00 0.00 C ATOM 1134 O TYR A 71 -5.952 15.125 -6.648 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.898 12.606 -6.014 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.782 13.805 -5.766 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.940 13.990 -6.532 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.444 14.732 -4.772 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.759 15.102 -6.302 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.264 15.843 -4.544 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.421 16.028 -5.309 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.230 17.124 -5.083 1.00 0.00 O ATOM 0 H TYR A 71 -6.577 10.834 -6.940 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.314 13.431 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.501 11.757 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.399 12.311 -5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.201 13.276 -7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.551 14.590 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.652 15.245 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.004 16.558 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.852 17.666 -4.359 1.00 0.00 H new