USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= -0.0587 (180deg=-0.389) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 91:sc= 1.92 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -2.77! C(o=-5.9!,f=-2.8!) USER MOD Single : A 35 CYS SG : rot -150:sc= -0.786 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0809 K(o=-0.081,f=-0.62) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.08 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.98! C(o=-4!,f=-9.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 24:sc= -0.431 USER MOD Single : A 68 SER OG : rot 180:sc= -0.869 USER MOD Single : A 72 THR OG1 : rot -177:sc= -1.29 USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= 0.664 (180deg=0.217) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.382 (180deg=-0.636) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.733 0.602 1.064 1.00 0.00 N ATOM 194 CA ARG A 18 8.458 1.173 0.644 1.00 0.00 C ATOM 195 C ARG A 18 8.504 1.581 -0.826 1.00 0.00 C ATOM 196 O ARG A 18 9.404 2.305 -1.250 1.00 0.00 O ATOM 197 CB ARG A 18 8.107 2.384 1.510 1.00 0.00 C ATOM 198 CG ARG A 18 8.165 2.102 3.003 1.00 0.00 C ATOM 199 CD ARG A 18 7.094 1.109 3.425 1.00 0.00 C ATOM 200 NE ARG A 18 5.845 1.772 3.787 1.00 0.00 N ATOM 201 CZ ARG A 18 5.593 2.253 5.000 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.500 2.146 5.961 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.432 2.844 5.253 1.00 0.00 N ATOM 0 HA ARG A 18 7.688 0.411 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.792 3.199 1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.105 2.726 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.148 1.710 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.037 3.033 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.909 0.408 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.454 0.526 4.273 1.00 0.00 H new ATOM 0 HE ARG A 18 5.126 1.872 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.394 1.694 5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.304 2.516 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.732 2.929 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.240 3.213 6.184 1.00 0.00 H new ATOM 217 N GLU A 19 7.528 1.111 -1.596 1.00 0.00 N ATOM 218 CA GLU A 19 7.459 1.427 -3.018 1.00 0.00 C ATOM 219 C GLU A 19 6.353 2.441 -3.297 1.00 0.00 C ATOM 220 O GLU A 19 5.388 2.550 -2.539 1.00 0.00 O ATOM 221 CB GLU A 19 7.217 0.155 -3.834 1.00 0.00 C ATOM 222 CG GLU A 19 8.273 -0.916 -3.620 1.00 0.00 C ATOM 223 CD GLU A 19 9.520 -0.678 -4.450 1.00 0.00 C ATOM 224 OE1 GLU A 19 10.063 0.445 -4.399 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.954 -1.617 -5.149 1.00 0.00 O ATOM 0 H GLU A 19 6.775 0.511 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 19 8.413 1.865 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.240 -0.253 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.183 0.413 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.544 -0.948 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.854 -1.890 -3.872 1.00 0.00 H new ATOM 232 N THR A 20 6.501 3.183 -4.390 1.00 0.00 N ATOM 233 CA THR A 20 5.518 4.190 -4.769 1.00 0.00 C ATOM 234 C THR A 20 4.886 3.862 -6.116 1.00 0.00 C ATOM 235 O THR A 20 5.562 3.397 -7.033 1.00 0.00 O ATOM 236 CB THR A 20 6.150 5.594 -4.839 1.00 0.00 C ATOM 237 OG1 THR A 20 7.012 5.686 -5.978 1.00 0.00 O ATOM 238 CG2 THR A 20 6.938 5.896 -3.574 1.00 0.00 C ATOM 0 H THR A 20 7.293 3.105 -5.028 1.00 0.00 H new ATOM 0 HA THR A 20 4.747 4.185 -3.998 1.00 0.00 H new ATOM 0 HB THR A 20 5.348 6.326 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.408 6.581 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.375 6.892 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.272 5.853 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.732 5.159 -3.456 1.00 0.00 H new ATOM 246 N GLY A 21 3.584 4.108 -6.230 1.00 0.00 N ATOM 247 CA GLY A 21 2.883 3.832 -7.471 1.00 0.00 C ATOM 248 C GLY A 21 1.767 4.822 -7.738 1.00 0.00 C ATOM 249 O GLY A 21 1.927 6.023 -7.520 1.00 0.00 O ATOM 0 H GLY A 21 3.003 4.493 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.592 3.856 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.470 2.824 -7.435 1.00 0.00 H new ATOM 253 N VAL A 22 0.632 4.318 -8.213 1.00 0.00 N ATOM 254 CA VAL A 22 -0.515 5.167 -8.511 1.00 0.00 C ATOM 255 C VAL A 22 -1.818 4.379 -8.429 1.00 0.00 C ATOM 256 O VAL A 22 -1.989 3.371 -9.115 1.00 0.00 O ATOM 257 CB VAL A 22 -0.398 5.799 -9.911 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.882 4.829 -10.977 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.176 7.104 -9.973 1.00 0.00 C ATOM 0 H VAL A 22 0.483 3.326 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.525 5.959 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 22 0.652 6.019 -10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.792 5.293 -11.959 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.276 3.923 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.925 4.574 -10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.082 7.537 -10.969 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.227 6.911 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.777 7.801 -9.236 1.00 0.00 H new ATOM 269 N ILE A 23 -2.733 4.845 -7.587 1.00 0.00 N ATOM 270 CA ILE A 23 -4.021 4.185 -7.416 1.00 0.00 C ATOM 271 C ILE A 23 -4.721 3.992 -8.757 1.00 0.00 C ATOM 272 O ILE A 23 -5.427 4.880 -9.233 1.00 0.00 O ATOM 273 CB ILE A 23 -4.944 4.984 -6.478 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.251 5.236 -5.138 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.257 4.244 -6.270 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.408 4.099 -4.153 1.00 0.00 C ATOM 0 H ILE A 23 -2.606 5.678 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.820 3.211 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.161 5.947 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.189 5.409 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.654 6.147 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.899 4.822 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.756 4.111 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.058 3.268 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.891 4.347 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.466 3.939 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.979 3.190 -4.575 1.00 0.00 H new ATOM 288 N GLU A 24 -4.522 2.824 -9.360 1.00 0.00 N ATOM 289 CA GLU A 24 -5.136 2.514 -10.646 1.00 0.00 C ATOM 290 C GLU A 24 -6.651 2.399 -10.512 1.00 0.00 C ATOM 291 O GLU A 24 -7.399 2.846 -11.382 1.00 0.00 O ATOM 292 CB GLU A 24 -4.562 1.212 -11.210 1.00 0.00 C ATOM 293 CG GLU A 24 -4.841 1.015 -12.690 1.00 0.00 C ATOM 294 CD GLU A 24 -4.222 2.100 -13.550 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.028 1.976 -13.894 1.00 0.00 O ATOM 296 OE2 GLU A 24 -4.932 3.073 -13.880 1.00 0.00 O ATOM 0 H GLU A 24 -3.941 2.077 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.911 3.330 -11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.484 1.199 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.978 0.371 -10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.455 0.045 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.919 0.997 -12.854 1.00 0.00 H new ATOM 303 N LYS A 25 -7.098 1.797 -9.416 1.00 0.00 N ATOM 304 CA LYS A 25 -8.524 1.622 -9.165 1.00 0.00 C ATOM 305 C LYS A 25 -8.831 1.729 -7.675 1.00 0.00 C ATOM 306 O LYS A 25 -7.952 1.536 -6.834 1.00 0.00 O ATOM 307 CB LYS A 25 -8.995 0.267 -9.698 1.00 0.00 C ATOM 308 CG LYS A 25 -10.395 0.298 -10.286 1.00 0.00 C ATOM 309 CD LYS A 25 -11.442 -0.077 -9.251 1.00 0.00 C ATOM 310 CE LYS A 25 -11.744 -1.567 -9.277 1.00 0.00 C ATOM 311 NZ LYS A 25 -12.438 -1.970 -10.532 1.00 0.00 N ATOM 0 H LYS A 25 -6.493 1.421 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.059 2.416 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.297 -0.076 -10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.966 -0.462 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.606 1.295 -10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.452 -0.391 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.092 0.207 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.358 0.484 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.814 -2.128 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.364 -1.827 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.977 -2.844 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.088 -1.214 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.735 -2.134 -11.280 1.00 0.00 H new ATOM 325 N LEU A 26 -10.083 2.035 -7.354 1.00 0.00 N ATOM 326 CA LEU A 26 -10.507 2.166 -5.964 1.00 0.00 C ATOM 327 C LEU A 26 -11.932 1.654 -5.779 1.00 0.00 C ATOM 328 O LEU A 26 -12.829 1.988 -6.555 1.00 0.00 O ATOM 329 CB LEU A 26 -10.416 3.626 -5.518 1.00 0.00 C ATOM 330 CG LEU A 26 -10.259 3.859 -4.015 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.808 3.685 -3.596 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.764 5.244 -3.635 1.00 0.00 C ATOM 0 H LEU A 26 -10.823 2.197 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.841 1.562 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.571 4.089 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.314 4.145 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.859 3.118 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.716 3.855 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.480 2.673 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.186 4.402 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.645 5.393 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.191 6.000 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.818 5.332 -3.899 1.00 0.00 H new ATOM 344 N LEU A 27 -12.134 0.843 -4.746 1.00 0.00 N ATOM 345 CA LEU A 27 -13.451 0.286 -4.457 1.00 0.00 C ATOM 346 C LEU A 27 -13.859 0.572 -3.015 1.00 0.00 C ATOM 347 O LEU A 27 -13.169 1.294 -2.295 1.00 0.00 O ATOM 348 CB LEU A 27 -13.456 -1.222 -4.711 1.00 0.00 C ATOM 349 CG LEU A 27 -12.902 -1.677 -6.062 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.386 -1.787 -6.007 1.00 0.00 C ATOM 351 CD2 LEU A 27 -13.520 -3.006 -6.471 1.00 0.00 C ATOM 0 H LEU A 27 -11.403 0.557 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.173 0.762 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.878 -1.705 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.481 -1.582 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.165 -0.930 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.009 -2.112 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.959 -0.815 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.101 -2.513 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.114 -3.315 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.288 -3.762 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.601 -2.895 -6.551 1.00 0.00 H new ATOM 363 N THR A 28 -14.984 -0.001 -2.599 1.00 0.00 N ATOM 364 CA THR A 28 -15.483 0.192 -1.243 1.00 0.00 C ATOM 365 C THR A 28 -14.848 -0.802 -0.278 1.00 0.00 C ATOM 366 O THR A 28 -14.718 -0.527 0.915 1.00 0.00 O ATOM 367 CB THR A 28 -17.015 0.042 -1.182 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.553 0.914 -0.182 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.407 -1.395 -0.873 1.00 0.00 C ATOM 0 H THR A 28 -15.567 -0.602 -3.181 1.00 0.00 H new ATOM 0 HA THR A 28 -15.212 1.206 -0.947 1.00 0.00 H new ATOM 0 HB THR A 28 -17.423 0.311 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.527 0.814 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.493 -1.476 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.021 -2.053 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.988 -1.688 0.090 1.00 0.00 H new ATOM 377 N SER A 29 -14.454 -1.959 -0.801 1.00 0.00 N ATOM 378 CA SER A 29 -13.834 -2.996 0.017 1.00 0.00 C ATOM 379 C SER A 29 -12.313 -2.900 -0.045 1.00 0.00 C ATOM 380 O SER A 29 -11.614 -3.358 0.858 1.00 0.00 O ATOM 381 CB SER A 29 -14.289 -4.381 -0.448 1.00 0.00 C ATOM 382 OG SER A 29 -14.095 -4.539 -1.843 1.00 0.00 O ATOM 0 H SER A 29 -14.553 -2.202 -1.787 1.00 0.00 H new ATOM 0 HA SER A 29 -14.148 -2.846 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.733 -5.149 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.342 -4.522 -0.206 1.00 0.00 H new ATOM 0 HG SER A 29 -13.210 -4.926 -2.008 1.00 0.00 H new ATOM 388 N TYR A 30 -11.808 -2.301 -1.118 1.00 0.00 N ATOM 389 CA TYR A 30 -10.370 -2.146 -1.300 1.00 0.00 C ATOM 390 C TYR A 30 -10.064 -1.352 -2.567 1.00 0.00 C ATOM 391 O TYR A 30 -10.969 -0.856 -3.236 1.00 0.00 O ATOM 392 CB TYR A 30 -9.693 -3.516 -1.368 1.00 0.00 C ATOM 393 CG TYR A 30 -10.538 -4.576 -2.037 1.00 0.00 C ATOM 394 CD1 TYR A 30 -10.778 -4.540 -3.405 1.00 0.00 C ATOM 395 CD2 TYR A 30 -11.097 -5.614 -1.301 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.550 -5.506 -4.021 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.868 -6.585 -1.909 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.093 -6.527 -3.268 1.00 0.00 C ATOM 399 OH TYR A 30 -12.862 -7.492 -3.877 1.00 0.00 O ATOM 0 H TYR A 30 -12.373 -1.915 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.978 -1.596 -0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.751 -3.420 -1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.449 -3.842 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.354 -3.743 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.926 -5.662 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.727 -5.462 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.293 -7.386 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.167 -8.139 -3.207 1.00 0.00 H new ATOM 409 N GLY A 31 -8.779 -1.236 -2.889 1.00 0.00 N ATOM 410 CA GLY A 31 -8.374 -0.502 -4.074 1.00 0.00 C ATOM 411 C GLY A 31 -7.112 -1.062 -4.700 1.00 0.00 C ATOM 412 O GLY A 31 -6.355 -1.783 -4.050 1.00 0.00 O ATOM 0 H GLY A 31 -8.011 -1.637 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.181 -0.527 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.213 0.544 -3.812 1.00 0.00 H new ATOM 416 N PHE A 32 -6.885 -0.731 -5.967 1.00 0.00 N ATOM 417 CA PHE A 32 -5.708 -1.208 -6.682 1.00 0.00 C ATOM 418 C PHE A 32 -4.678 -0.093 -6.839 1.00 0.00 C ATOM 419 O PHE A 32 -5.022 1.090 -6.831 1.00 0.00 O ATOM 420 CB PHE A 32 -6.104 -1.748 -8.057 1.00 0.00 C ATOM 421 CG PHE A 32 -6.967 -2.976 -7.993 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.320 -2.875 -7.712 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.425 -4.232 -8.214 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.116 -4.003 -7.651 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.216 -5.364 -8.155 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.563 -5.249 -7.874 1.00 0.00 C ATOM 0 H PHE A 32 -7.501 -0.134 -6.519 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.261 -2.013 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.634 -0.969 -8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.201 -1.977 -8.622 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.758 -1.903 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.372 -4.328 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.169 -3.910 -7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.781 -6.337 -8.328 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.183 -6.132 -7.829 1.00 0.00 H new ATOM 436 N ILE A 33 -3.414 -0.478 -6.981 1.00 0.00 N ATOM 437 CA ILE A 33 -2.335 0.489 -7.141 1.00 0.00 C ATOM 438 C ILE A 33 -1.350 0.040 -8.215 1.00 0.00 C ATOM 439 O ILE A 33 -0.665 -0.971 -8.059 1.00 0.00 O ATOM 440 CB ILE A 33 -1.573 0.705 -5.820 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.481 1.374 -4.786 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.326 1.543 -6.058 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.067 1.108 -3.356 1.00 0.00 C ATOM 0 H ILE A 33 -3.112 -1.452 -6.988 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.796 1.429 -7.444 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.266 -0.266 -5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.485 2.450 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.503 1.024 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.201 1.687 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.327 1.031 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.612 2.513 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.755 1.613 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.090 0.035 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.057 1.484 -3.194 1.00 0.00 H new ATOM 455 N GLN A 34 -1.283 0.800 -9.303 1.00 0.00 N ATOM 456 CA GLN A 34 -0.380 0.481 -10.403 1.00 0.00 C ATOM 457 C GLN A 34 1.022 1.015 -10.129 1.00 0.00 C ATOM 458 O GLN A 34 1.275 2.214 -10.251 1.00 0.00 O ATOM 459 CB GLN A 34 -0.913 1.064 -11.713 1.00 0.00 C ATOM 460 CG GLN A 34 0.046 0.909 -12.882 1.00 0.00 C ATOM 461 CD GLN A 34 -0.210 -0.353 -13.684 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.362 -1.464 -13.237 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -0.913 -0.328 -14.694 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.843 1.641 -9.447 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.325 -0.604 -10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.856 0.577 -11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.129 2.123 -11.569 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.043 1.776 -13.537 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.070 0.896 -12.508 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.333 0.549 -15.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.075 -1.184 -15.224 1.00 0.00 H new ATOM 472 N CYS A 35 1.928 0.118 -9.757 1.00 0.00 N ATOM 473 CA CYS A 35 3.306 0.500 -9.464 1.00 0.00 C ATOM 474 C CYS A 35 3.899 1.315 -10.608 1.00 0.00 C ATOM 475 O CYS A 35 3.705 0.991 -11.780 1.00 0.00 O ATOM 476 CB CYS A 35 4.158 -0.745 -9.211 1.00 0.00 C ATOM 477 SG CYS A 35 3.511 -1.834 -7.921 1.00 0.00 S ATOM 0 H CYS A 35 1.734 -0.878 -9.651 1.00 0.00 H new ATOM 0 HA CYS A 35 3.304 1.118 -8.566 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.242 -1.310 -10.140 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.165 -0.433 -8.936 1.00 0.00 H new ATOM 0 HG CYS A 35 4.496 -2.451 -7.339 1.00 0.00 H new ATOM 483 N SER A 36 4.623 2.374 -10.260 1.00 0.00 N ATOM 484 CA SER A 36 5.241 3.239 -11.258 1.00 0.00 C ATOM 485 C SER A 36 6.712 2.883 -11.450 1.00 0.00 C ATOM 486 O SER A 36 7.421 3.526 -12.223 1.00 0.00 O ATOM 487 CB SER A 36 5.110 4.706 -10.844 1.00 0.00 C ATOM 488 OG SER A 36 3.764 5.142 -10.931 1.00 0.00 O ATOM 0 H SER A 36 4.796 2.654 -9.294 1.00 0.00 H new ATOM 0 HA SER A 36 4.722 3.088 -12.204 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.471 4.833 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.738 5.325 -11.484 1.00 0.00 H new ATOM 0 HG SER A 36 3.706 6.082 -10.660 1.00 0.00 H new ATOM 494 N GLU A 37 7.162 1.852 -10.741 1.00 0.00 N ATOM 495 CA GLU A 37 8.549 1.411 -10.832 1.00 0.00 C ATOM 496 C GLU A 37 8.643 0.053 -11.522 1.00 0.00 C ATOM 497 O GLU A 37 9.531 -0.177 -12.344 1.00 0.00 O ATOM 498 CB GLU A 37 9.175 1.331 -9.438 1.00 0.00 C ATOM 499 CG GLU A 37 9.056 2.620 -8.643 1.00 0.00 C ATOM 500 CD GLU A 37 10.204 2.815 -7.672 1.00 0.00 C ATOM 501 OE1 GLU A 37 10.298 2.038 -6.699 1.00 0.00 O ATOM 502 OE2 GLU A 37 11.010 3.745 -7.886 1.00 0.00 O ATOM 0 H GLU A 37 6.587 1.307 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 37 9.097 2.141 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.698 0.525 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.229 1.071 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.020 3.465 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.116 2.617 -8.092 1.00 0.00 H new ATOM 509 N ARG A 38 7.721 -0.842 -11.183 1.00 0.00 N ATOM 510 CA ARG A 38 7.701 -2.177 -11.768 1.00 0.00 C ATOM 511 C ARG A 38 6.642 -2.275 -12.862 1.00 0.00 C ATOM 512 O ARG A 38 6.636 -3.221 -13.650 1.00 0.00 O ATOM 513 CB ARG A 38 7.432 -3.226 -10.688 1.00 0.00 C ATOM 514 CG ARG A 38 6.102 -3.039 -9.975 1.00 0.00 C ATOM 515 CD ARG A 38 5.812 -4.192 -9.026 1.00 0.00 C ATOM 516 NE ARG A 38 6.130 -5.486 -9.624 1.00 0.00 N ATOM 517 CZ ARG A 38 6.360 -6.586 -8.915 1.00 0.00 C ATOM 518 NH1 ARG A 38 6.306 -6.549 -7.591 1.00 0.00 N ATOM 519 NH2 ARG A 38 6.644 -7.726 -9.531 1.00 0.00 N ATOM 0 H ARG A 38 6.978 -0.667 -10.506 1.00 0.00 H new ATOM 0 HA ARG A 38 8.678 -2.366 -12.213 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.455 -4.217 -11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.236 -3.193 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.115 -2.102 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.301 -2.961 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.391 -4.063 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.760 -4.172 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 38 6.178 -5.549 -10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.087 -5.674 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.483 -7.395 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.686 -7.759 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.820 -8.570 -8.986 1.00 0.00 H new ATOM 533 N GLN A 39 5.749 -1.292 -12.904 1.00 0.00 N ATOM 534 CA GLN A 39 4.685 -1.268 -13.901 1.00 0.00 C ATOM 535 C GLN A 39 3.743 -2.454 -13.720 1.00 0.00 C ATOM 536 O GLN A 39 3.367 -3.114 -14.688 1.00 0.00 O ATOM 537 CB GLN A 39 5.279 -1.284 -15.311 1.00 0.00 C ATOM 538 CG GLN A 39 5.546 0.102 -15.874 1.00 0.00 C ATOM 539 CD GLN A 39 6.208 0.061 -17.237 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.628 -0.428 -18.207 1.00 0.00 O ATOM 541 NE2 GLN A 39 7.429 0.576 -17.319 1.00 0.00 N ATOM 0 H GLN A 39 5.741 -0.502 -12.259 1.00 0.00 H new ATOM 0 HA GLN A 39 4.114 -0.350 -13.765 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.212 -1.847 -15.297 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.598 -1.813 -15.977 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.605 0.647 -15.948 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.182 0.655 -15.182 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.873 0.971 -16.490 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.923 0.577 -18.211 1.00 0.00 H new ATOM 550 N ALA A 40 3.366 -2.719 -12.473 1.00 0.00 N ATOM 551 CA ALA A 40 2.467 -3.824 -12.165 1.00 0.00 C ATOM 552 C ALA A 40 1.280 -3.350 -11.334 1.00 0.00 C ATOM 553 O ALA A 40 1.433 -2.538 -10.421 1.00 0.00 O ATOM 554 CB ALA A 40 3.218 -4.928 -11.435 1.00 0.00 C ATOM 0 H ALA A 40 3.670 -2.183 -11.660 1.00 0.00 H new ATOM 0 HA ALA A 40 2.084 -4.221 -13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.534 -5.747 -11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.029 -5.294 -12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.630 -4.535 -10.505 1.00 0.00 H new ATOM 560 N ARG A 41 0.096 -3.861 -11.657 1.00 0.00 N ATOM 561 CA ARG A 41 -1.118 -3.488 -10.941 1.00 0.00 C ATOM 562 C ARG A 41 -1.241 -4.268 -9.635 1.00 0.00 C ATOM 563 O ARG A 41 -1.611 -5.443 -9.634 1.00 0.00 O ATOM 564 CB ARG A 41 -2.348 -3.738 -11.815 1.00 0.00 C ATOM 565 CG ARG A 41 -2.741 -2.545 -12.671 1.00 0.00 C ATOM 566 CD ARG A 41 -3.459 -2.981 -13.938 1.00 0.00 C ATOM 567 NE ARG A 41 -4.637 -3.793 -13.648 1.00 0.00 N ATOM 568 CZ ARG A 41 -5.627 -3.986 -14.512 1.00 0.00 C ATOM 569 NH1 ARG A 41 -5.581 -3.429 -15.715 1.00 0.00 N ATOM 570 NH2 ARG A 41 -6.667 -4.739 -14.175 1.00 0.00 N ATOM 0 H ARG A 41 -0.048 -4.534 -12.410 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.058 -2.426 -10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.154 -4.592 -12.464 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.188 -4.008 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.386 -1.880 -12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.850 -1.975 -12.934 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.757 -2.100 -14.507 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.773 -3.549 -14.566 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.703 -4.236 -12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.784 -2.850 -15.979 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.343 -3.579 -16.376 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.706 -5.170 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.427 -4.886 -14.840 1.00 0.00 H new ATOM 584 N LEU A 42 -0.928 -3.608 -8.526 1.00 0.00 N ATOM 585 CA LEU A 42 -1.002 -4.240 -7.213 1.00 0.00 C ATOM 586 C LEU A 42 -2.414 -4.147 -6.644 1.00 0.00 C ATOM 587 O LEU A 42 -3.280 -3.478 -7.208 1.00 0.00 O ATOM 588 CB LEU A 42 -0.009 -3.584 -6.253 1.00 0.00 C ATOM 589 CG LEU A 42 1.405 -4.167 -6.247 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.240 -3.531 -5.147 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.358 -5.678 -6.078 1.00 0.00 C ATOM 0 H LEU A 42 -0.621 -2.636 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.745 -5.293 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.058 -2.524 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.412 -3.652 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 42 1.874 -3.943 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.243 -3.958 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.302 -2.455 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.775 -3.723 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.373 -6.076 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.870 -5.924 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.797 -6.119 -6.902 1.00 0.00 H new ATOM 603 N PHE A 43 -2.639 -4.821 -5.521 1.00 0.00 N ATOM 604 CA PHE A 43 -3.946 -4.814 -4.874 1.00 0.00 C ATOM 605 C PHE A 43 -3.820 -4.445 -3.398 1.00 0.00 C ATOM 606 O PHE A 43 -3.364 -5.247 -2.583 1.00 0.00 O ATOM 607 CB PHE A 43 -4.615 -6.183 -5.013 1.00 0.00 C ATOM 608 CG PHE A 43 -5.496 -6.541 -3.851 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.386 -5.616 -3.329 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.436 -7.802 -3.280 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.198 -5.942 -2.259 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.245 -8.135 -2.210 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.128 -7.203 -1.700 1.00 0.00 C ATOM 0 H PHE A 43 -1.933 -5.379 -5.040 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.564 -4.064 -5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.209 -6.197 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.844 -6.946 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.446 -4.629 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.748 -8.534 -3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.886 -5.211 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.187 -9.121 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.763 -7.460 -0.865 1.00 0.00 H new ATOM 623 N PHE A 44 -4.228 -3.226 -3.063 1.00 0.00 N ATOM 624 CA PHE A 44 -4.160 -2.748 -1.687 1.00 0.00 C ATOM 625 C PHE A 44 -5.534 -2.800 -1.025 1.00 0.00 C ATOM 626 O PHE A 44 -6.544 -2.451 -1.637 1.00 0.00 O ATOM 627 CB PHE A 44 -3.616 -1.319 -1.647 1.00 0.00 C ATOM 628 CG PHE A 44 -4.686 -0.267 -1.710 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.132 0.214 -2.930 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.247 0.240 -0.549 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.117 1.181 -2.992 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.233 1.207 -0.604 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.668 1.679 -1.827 1.00 0.00 C ATOM 0 H PHE A 44 -4.609 -2.551 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.485 -3.402 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.039 -1.184 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.929 -1.177 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.705 -0.171 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.910 -0.125 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.456 1.547 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.663 1.593 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.437 2.436 -1.873 1.00 0.00 H new ATOM 643 N HIS A 45 -5.564 -3.238 0.230 1.00 0.00 N ATOM 644 CA HIS A 45 -6.814 -3.335 0.976 1.00 0.00 C ATOM 645 C HIS A 45 -7.105 -2.036 1.720 1.00 0.00 C ATOM 646 O HIS A 45 -6.203 -1.421 2.291 1.00 0.00 O ATOM 647 CB HIS A 45 -6.752 -4.500 1.964 1.00 0.00 C ATOM 648 CG HIS A 45 -8.055 -5.223 2.120 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.241 -4.583 2.408 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.353 -6.540 2.023 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.213 -5.474 2.485 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.701 -6.670 2.254 1.00 0.00 N ATOM 0 H HIS A 45 -4.738 -3.531 0.751 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.621 -3.513 0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.991 -5.207 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.436 -4.124 2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.660 -7.339 1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.250 -5.261 2.700 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.222 -7.547 2.248 1.00 0.00 H new ATOM 661 N CYS A 46 -8.367 -1.623 1.708 1.00 0.00 N ATOM 662 CA CYS A 46 -8.777 -0.396 2.381 1.00 0.00 C ATOM 663 C CYS A 46 -8.276 -0.372 3.822 1.00 0.00 C ATOM 664 O CYS A 46 -8.234 0.681 4.457 1.00 0.00 O ATOM 665 CB CYS A 46 -10.300 -0.259 2.356 1.00 0.00 C ATOM 666 SG CYS A 46 -10.944 0.549 0.872 1.00 0.00 S ATOM 0 H CYS A 46 -9.124 -2.120 1.239 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.335 0.446 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.745 -1.251 2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.618 0.307 3.232 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.240 0.616 0.942 1.00 0.00 H new ATOM 672 N SER A 47 -7.899 -1.540 4.331 1.00 0.00 N ATOM 673 CA SER A 47 -7.406 -1.655 5.698 1.00 0.00 C ATOM 674 C SER A 47 -5.950 -1.209 5.790 1.00 0.00 C ATOM 675 O SER A 47 -5.515 -0.679 6.812 1.00 0.00 O ATOM 676 CB SER A 47 -7.542 -3.096 6.193 1.00 0.00 C ATOM 677 OG SER A 47 -7.313 -3.179 7.589 1.00 0.00 O ATOM 0 H SER A 47 -7.926 -2.421 3.817 1.00 0.00 H new ATOM 0 HA SER A 47 -8.008 -1.003 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.539 -3.471 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.832 -3.733 5.666 1.00 0.00 H new ATOM 0 HG SER A 47 -7.407 -4.110 7.881 1.00 0.00 H new ATOM 683 N GLN A 48 -5.201 -1.428 4.714 1.00 0.00 N ATOM 684 CA GLN A 48 -3.794 -1.050 4.672 1.00 0.00 C ATOM 685 C GLN A 48 -3.626 0.450 4.895 1.00 0.00 C ATOM 686 O GLN A 48 -2.887 0.877 5.782 1.00 0.00 O ATOM 687 CB GLN A 48 -3.175 -1.451 3.332 1.00 0.00 C ATOM 688 CG GLN A 48 -3.469 -2.888 2.932 1.00 0.00 C ATOM 689 CD GLN A 48 -2.919 -3.894 3.923 1.00 0.00 C ATOM 690 OE1 GLN A 48 -2.089 -3.559 4.770 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.379 -5.135 3.824 1.00 0.00 N ATOM 0 H GLN A 48 -5.546 -1.866 3.859 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.279 -1.578 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.547 -0.783 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.095 -1.310 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.547 -3.023 2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.042 -3.082 1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.066 -5.369 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.045 -5.855 4.465 1.00 0.00 H new ATOM 700 N TYR A 49 -4.316 1.244 4.084 1.00 0.00 N ATOM 701 CA TYR A 49 -4.241 2.696 4.190 1.00 0.00 C ATOM 702 C TYR A 49 -4.548 3.154 5.613 1.00 0.00 C ATOM 703 O TYR A 49 -5.621 2.879 6.147 1.00 0.00 O ATOM 704 CB TYR A 49 -5.216 3.351 3.210 1.00 0.00 C ATOM 705 CG TYR A 49 -5.049 4.850 3.101 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.807 5.413 2.837 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.135 5.702 3.262 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.651 6.782 2.737 1.00 0.00 C ATOM 709 CE2 TYR A 49 -5.987 7.073 3.163 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.744 7.608 2.901 1.00 0.00 C ATOM 711 OH TYR A 49 -4.592 8.972 2.801 1.00 0.00 O ATOM 0 H TYR A 49 -4.934 0.906 3.346 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.225 3.002 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.081 2.906 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.236 3.129 3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.949 4.770 2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.110 5.286 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.678 7.204 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.841 7.722 3.290 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.458 9.409 2.941 1.00 0.00 H new ATOM 721 N ASN A 50 -3.596 3.856 6.219 1.00 0.00 N ATOM 722 CA ASN A 50 -3.763 4.354 7.580 1.00 0.00 C ATOM 723 C ASN A 50 -4.670 5.581 7.603 1.00 0.00 C ATOM 724 O ASN A 50 -5.515 5.725 8.485 1.00 0.00 O ATOM 725 CB ASN A 50 -2.403 4.699 8.190 1.00 0.00 C ATOM 726 CG ASN A 50 -2.529 5.541 9.445 1.00 0.00 C ATOM 727 OD1 ASN A 50 -2.939 5.050 10.496 1.00 0.00 O ATOM 728 ND2 ASN A 50 -2.176 6.817 9.339 1.00 0.00 N ATOM 0 H ASN A 50 -2.702 4.093 5.790 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.230 3.568 8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.869 3.778 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.804 5.235 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.240 7.433 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.841 7.181 8.447 1.00 0.00 H new ATOM 735 N GLY A 51 -4.487 6.463 6.625 1.00 0.00 N ATOM 736 CA GLY A 51 -5.295 7.666 6.551 1.00 0.00 C ATOM 737 C GLY A 51 -6.767 7.364 6.352 1.00 0.00 C ATOM 738 O GLY A 51 -7.281 6.374 6.871 1.00 0.00 O ATOM 0 H GLY A 51 -3.794 6.366 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.166 8.243 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.941 8.288 5.729 1.00 0.00 H new ATOM 742 N ASN A 52 -7.449 8.221 5.598 1.00 0.00 N ATOM 743 CA ASN A 52 -8.872 8.042 5.333 1.00 0.00 C ATOM 744 C ASN A 52 -9.124 7.819 3.845 1.00 0.00 C ATOM 745 O ASN A 52 -8.959 8.731 3.033 1.00 0.00 O ATOM 746 CB ASN A 52 -9.660 9.260 5.819 1.00 0.00 C ATOM 747 CG ASN A 52 -11.116 8.936 6.093 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.460 7.799 6.416 1.00 0.00 O ATOM 749 ND2 ASN A 52 -11.979 9.936 5.964 1.00 0.00 N ATOM 0 H ASN A 52 -7.039 9.046 5.160 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.209 7.160 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.200 9.648 6.728 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.601 10.050 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.972 9.778 6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.649 10.863 5.694 1.00 0.00 H new ATOM 756 N LEU A 53 -9.527 6.603 3.495 1.00 0.00 N ATOM 757 CA LEU A 53 -9.803 6.260 2.104 1.00 0.00 C ATOM 758 C LEU A 53 -10.409 7.446 1.361 1.00 0.00 C ATOM 759 O LEU A 53 -10.083 7.695 0.200 1.00 0.00 O ATOM 760 CB LEU A 53 -10.751 5.061 2.033 1.00 0.00 C ATOM 761 CG LEU A 53 -10.088 3.687 1.934 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.278 3.576 0.652 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.207 3.431 3.148 1.00 0.00 C ATOM 0 H LEU A 53 -9.670 5.838 4.154 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.859 5.999 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.387 5.073 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.404 5.190 1.170 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.870 2.928 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.814 2.591 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.935 3.714 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.504 4.343 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.743 2.448 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.431 4.195 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.815 3.466 4.052 1.00 0.00 H new ATOM 775 N GLN A 54 -11.290 8.175 2.038 1.00 0.00 N ATOM 776 CA GLN A 54 -11.940 9.336 1.441 1.00 0.00 C ATOM 777 C GLN A 54 -10.921 10.230 0.742 1.00 0.00 C ATOM 778 O GLN A 54 -11.115 10.627 -0.407 1.00 0.00 O ATOM 779 CB GLN A 54 -12.687 10.134 2.511 1.00 0.00 C ATOM 780 CG GLN A 54 -13.978 9.476 2.971 1.00 0.00 C ATOM 781 CD GLN A 54 -15.161 9.834 2.093 1.00 0.00 C ATOM 782 OE1 GLN A 54 -15.001 10.436 1.031 1.00 0.00 O ATOM 783 NE2 GLN A 54 -16.358 9.464 2.533 1.00 0.00 N ATOM 0 H GLN A 54 -11.570 7.983 3.000 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.654 8.980 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.033 10.272 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.914 11.126 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.848 8.394 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.188 9.776 3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.444 8.967 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -17.191 9.677 1.985 1.00 0.00 H new ATOM 792 N ASP A 55 -9.837 10.544 1.442 1.00 0.00 N ATOM 793 CA ASP A 55 -8.787 11.391 0.888 1.00 0.00 C ATOM 794 C ASP A 55 -8.137 10.728 -0.322 1.00 0.00 C ATOM 795 O ASP A 55 -7.790 11.396 -1.297 1.00 0.00 O ATOM 796 CB ASP A 55 -7.729 11.689 1.952 1.00 0.00 C ATOM 797 CG ASP A 55 -8.218 12.674 2.995 1.00 0.00 C ATOM 798 OD1 ASP A 55 -9.410 12.606 3.362 1.00 0.00 O ATOM 799 OD2 ASP A 55 -7.410 13.513 3.445 1.00 0.00 O ATOM 0 H ASP A 55 -9.662 10.225 2.395 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.241 12.328 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.439 10.760 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.836 12.088 1.471 1.00 0.00 H new ATOM 804 N LEU A 56 -7.974 9.412 -0.253 1.00 0.00 N ATOM 805 CA LEU A 56 -7.364 8.658 -1.344 1.00 0.00 C ATOM 806 C LEU A 56 -8.244 8.694 -2.589 1.00 0.00 C ATOM 807 O LEU A 56 -9.471 8.732 -2.496 1.00 0.00 O ATOM 808 CB LEU A 56 -7.125 7.209 -0.917 1.00 0.00 C ATOM 809 CG LEU A 56 -5.936 6.504 -1.571 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.682 7.357 -1.461 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.712 5.138 -0.939 1.00 0.00 C ATOM 0 H LEU A 56 -8.255 8.844 0.546 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.408 9.123 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.985 7.188 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.026 6.634 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.160 6.360 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.847 6.839 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.846 8.311 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.453 7.534 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.862 4.651 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.510 5.258 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.603 4.525 -1.072 1.00 0.00 H new ATOM 823 N LYS A 57 -7.608 8.681 -3.756 1.00 0.00 N ATOM 824 CA LYS A 57 -8.332 8.708 -5.022 1.00 0.00 C ATOM 825 C LYS A 57 -7.573 7.940 -6.099 1.00 0.00 C ATOM 826 O LYS A 57 -6.389 7.640 -5.945 1.00 0.00 O ATOM 827 CB LYS A 57 -8.555 10.153 -5.473 1.00 0.00 C ATOM 828 CG LYS A 57 -8.644 11.143 -4.325 1.00 0.00 C ATOM 829 CD LYS A 57 -9.431 12.382 -4.715 1.00 0.00 C ATOM 830 CE LYS A 57 -8.563 13.380 -5.467 1.00 0.00 C ATOM 831 NZ LYS A 57 -9.355 14.539 -5.966 1.00 0.00 N ATOM 0 H LYS A 57 -6.593 8.652 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.298 8.227 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.740 10.448 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.473 10.204 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.118 10.665 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.640 11.432 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.279 12.095 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.837 12.853 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.770 13.738 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.081 12.881 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.728 15.196 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.096 14.200 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.795 15.031 -5.162 1.00 0.00 H new ATOM 845 N VAL A 58 -8.262 7.625 -7.191 1.00 0.00 N ATOM 846 CA VAL A 58 -7.652 6.893 -8.295 1.00 0.00 C ATOM 847 C VAL A 58 -6.837 7.823 -9.187 1.00 0.00 C ATOM 848 O VAL A 58 -7.386 8.523 -10.037 1.00 0.00 O ATOM 849 CB VAL A 58 -8.716 6.180 -9.152 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.114 5.710 -10.467 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.322 5.014 -8.385 1.00 0.00 C ATOM 0 H VAL A 58 -9.243 7.865 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.992 6.147 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.512 6.889 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.880 5.209 -11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.732 6.568 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.298 5.015 -10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.071 4.521 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.538 4.301 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.791 5.383 -7.473 1.00 0.00 H new ATOM 861 N GLY A 59 -5.523 7.825 -8.987 1.00 0.00 N ATOM 862 CA GLY A 59 -4.653 8.672 -9.781 1.00 0.00 C ATOM 863 C GLY A 59 -3.690 9.475 -8.928 1.00 0.00 C ATOM 864 O GLY A 59 -2.866 10.226 -9.451 1.00 0.00 O ATOM 0 H GLY A 59 -5.045 7.255 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.087 8.054 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.260 9.353 -10.378 1.00 0.00 H new ATOM 868 N ASP A 60 -3.794 9.318 -7.614 1.00 0.00 N ATOM 869 CA ASP A 60 -2.927 10.035 -6.686 1.00 0.00 C ATOM 870 C ASP A 60 -1.725 9.180 -6.296 1.00 0.00 C ATOM 871 O ASP A 60 -1.763 7.953 -6.400 1.00 0.00 O ATOM 872 CB ASP A 60 -3.707 10.442 -5.436 1.00 0.00 C ATOM 873 CG ASP A 60 -4.544 11.687 -5.656 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.603 11.581 -6.309 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.141 12.767 -5.175 1.00 0.00 O ATOM 0 H ASP A 60 -4.471 8.700 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.565 10.933 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.356 9.620 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.010 10.617 -4.617 1.00 0.00 H new ATOM 880 N ASP A 61 -0.660 9.835 -5.847 1.00 0.00 N ATOM 881 CA ASP A 61 0.553 9.135 -5.440 1.00 0.00 C ATOM 882 C ASP A 61 0.442 8.649 -3.999 1.00 0.00 C ATOM 883 O ASP A 61 -0.061 9.360 -3.129 1.00 0.00 O ATOM 884 CB ASP A 61 1.770 10.050 -5.591 1.00 0.00 C ATOM 885 CG ASP A 61 2.379 9.978 -6.977 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.690 10.353 -7.948 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.546 9.547 -7.091 1.00 0.00 O ATOM 0 H ASP A 61 -0.612 10.850 -5.756 1.00 0.00 H new ATOM 0 HA ASP A 61 0.678 8.268 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.477 11.078 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.522 9.774 -4.852 1.00 0.00 H new ATOM 892 N VAL A 62 0.916 7.431 -3.752 1.00 0.00 N ATOM 893 CA VAL A 62 0.870 6.849 -2.416 1.00 0.00 C ATOM 894 C VAL A 62 2.002 5.847 -2.215 1.00 0.00 C ATOM 895 O VAL A 62 2.358 5.106 -3.130 1.00 0.00 O ATOM 896 CB VAL A 62 -0.475 6.146 -2.156 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.523 7.151 -1.700 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.940 5.407 -3.401 1.00 0.00 C ATOM 0 H VAL A 62 1.336 6.829 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 62 0.985 7.670 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.335 5.415 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.467 6.636 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.191 7.631 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.663 7.907 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.892 4.916 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.064 6.116 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.198 4.659 -3.678 1.00 0.00 H new ATOM 908 N GLU A 63 2.562 5.830 -1.009 1.00 0.00 N ATOM 909 CA GLU A 63 3.654 4.919 -0.688 1.00 0.00 C ATOM 910 C GLU A 63 3.138 3.696 0.065 1.00 0.00 C ATOM 911 O GLU A 63 2.400 3.820 1.042 1.00 0.00 O ATOM 912 CB GLU A 63 4.716 5.635 0.148 1.00 0.00 C ATOM 913 CG GLU A 63 6.081 4.968 0.099 1.00 0.00 C ATOM 914 CD GLU A 63 6.969 5.370 1.261 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.487 5.344 2.413 1.00 0.00 O ATOM 916 OE2 GLU A 63 8.145 5.711 1.018 1.00 0.00 O ATOM 0 H GLU A 63 2.278 6.436 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 63 4.102 4.586 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.810 6.663 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.380 5.681 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.953 3.886 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.575 5.228 -0.837 1.00 0.00 H new ATOM 923 N PHE A 64 3.532 2.514 -0.398 1.00 0.00 N ATOM 924 CA PHE A 64 3.109 1.267 0.229 1.00 0.00 C ATOM 925 C PHE A 64 4.267 0.277 0.308 1.00 0.00 C ATOM 926 O PHE A 64 5.364 0.551 -0.178 1.00 0.00 O ATOM 927 CB PHE A 64 1.946 0.649 -0.549 1.00 0.00 C ATOM 928 CG PHE A 64 2.175 0.604 -2.033 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.883 1.702 -2.826 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.681 -0.537 -2.635 1.00 0.00 C ATOM 931 CE1 PHE A 64 2.092 1.664 -4.192 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.893 -0.580 -4.000 1.00 0.00 C ATOM 933 CZ PHE A 64 2.597 0.521 -4.779 1.00 0.00 C ATOM 0 H PHE A 64 4.144 2.394 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 64 2.779 1.493 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.773 -0.364 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.040 1.220 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.487 2.598 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.912 -1.402 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.861 2.527 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.290 -1.474 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.760 0.488 -5.846 1.00 0.00 H new ATOM 943 N GLU A 65 4.014 -0.873 0.923 1.00 0.00 N ATOM 944 CA GLU A 65 5.036 -1.904 1.066 1.00 0.00 C ATOM 945 C GLU A 65 4.578 -3.215 0.434 1.00 0.00 C ATOM 946 O GLU A 65 3.544 -3.770 0.807 1.00 0.00 O ATOM 947 CB GLU A 65 5.365 -2.125 2.544 1.00 0.00 C ATOM 948 CG GLU A 65 6.046 -3.454 2.824 1.00 0.00 C ATOM 949 CD GLU A 65 7.477 -3.493 2.323 1.00 0.00 C ATOM 950 OE1 GLU A 65 8.172 -2.461 2.430 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.902 -4.556 1.825 1.00 0.00 O ATOM 0 H GLU A 65 3.111 -1.115 1.330 1.00 0.00 H new ATOM 0 HA GLU A 65 5.933 -1.565 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.009 -1.316 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.444 -2.069 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.035 -3.645 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.478 -4.256 2.352 1.00 0.00 H new ATOM 958 N VAL A 66 5.356 -3.706 -0.525 1.00 0.00 N ATOM 959 CA VAL A 66 5.033 -4.952 -1.210 1.00 0.00 C ATOM 960 C VAL A 66 5.222 -6.151 -0.287 1.00 0.00 C ATOM 961 O VAL A 66 6.327 -6.412 0.189 1.00 0.00 O ATOM 962 CB VAL A 66 5.902 -5.144 -2.467 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.533 -6.437 -3.179 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.757 -3.952 -3.401 1.00 0.00 C ATOM 0 H VAL A 66 6.215 -3.260 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 66 3.987 -4.887 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 66 6.946 -5.212 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.157 -6.556 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.692 -7.280 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.485 -6.402 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.378 -4.104 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.715 -3.851 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.075 -3.045 -2.886 1.00 0.00 H new ATOM 974 N SER A 67 4.136 -6.876 -0.039 1.00 0.00 N ATOM 975 CA SER A 67 4.182 -8.047 0.830 1.00 0.00 C ATOM 976 C SER A 67 3.697 -9.291 0.092 1.00 0.00 C ATOM 977 O SER A 67 3.301 -9.220 -1.071 1.00 0.00 O ATOM 978 CB SER A 67 3.327 -7.815 2.078 1.00 0.00 C ATOM 979 OG SER A 67 2.265 -6.916 1.809 1.00 0.00 O ATOM 0 H SER A 67 3.214 -6.674 -0.427 1.00 0.00 H new ATOM 0 HA SER A 67 5.218 -8.205 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.923 -8.765 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.949 -7.418 2.880 1.00 0.00 H new ATOM 0 HG SER A 67 2.064 -6.925 0.850 1.00 0.00 H new ATOM 985 N SER A 68 3.733 -10.429 0.777 1.00 0.00 N ATOM 986 CA SER A 68 3.302 -11.691 0.186 1.00 0.00 C ATOM 987 C SER A 68 2.264 -12.378 1.068 1.00 0.00 C ATOM 988 O SER A 68 2.479 -12.565 2.266 1.00 0.00 O ATOM 989 CB SER A 68 4.502 -12.616 -0.025 1.00 0.00 C ATOM 990 OG SER A 68 5.257 -12.751 1.167 1.00 0.00 O ATOM 0 H SER A 68 4.056 -10.504 1.742 1.00 0.00 H new ATOM 0 HA SER A 68 2.846 -11.474 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.156 -13.596 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.136 -12.219 -0.818 1.00 0.00 H new ATOM 0 HG SER A 68 6.017 -13.348 1.007 1.00 0.00 H new ATOM 996 N ASP A 69 1.140 -12.750 0.467 1.00 0.00 N ATOM 997 CA ASP A 69 0.068 -13.417 1.197 1.00 0.00 C ATOM 998 C ASP A 69 0.516 -14.791 1.686 1.00 0.00 C ATOM 999 O ASP A 69 1.597 -15.264 1.333 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.171 -13.557 0.311 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.385 -14.035 1.084 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.695 -13.433 2.134 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.024 -15.011 0.639 1.00 0.00 O ATOM 0 H ASP A 69 0.947 -12.601 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.182 -12.806 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.394 -12.595 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.959 -14.258 -0.497 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.320 -15.426 2.500 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.009 -16.744 3.039 1.00 0.00 C ATOM 1010 C ARG A 70 -0.872 -17.818 2.382 1.00 0.00 C ATOM 1011 O ARG A 70 -0.709 -19.008 2.649 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.220 -16.762 4.554 1.00 0.00 C ATOM 1013 CG ARG A 70 0.382 -15.563 5.267 1.00 0.00 C ATOM 1014 CD ARG A 70 1.902 -15.602 5.237 1.00 0.00 C ATOM 1015 NE ARG A 70 2.440 -15.037 4.002 1.00 0.00 N ATOM 1016 CZ ARG A 70 3.634 -15.350 3.511 1.00 0.00 C ATOM 1017 NH1 ARG A 70 4.409 -16.218 4.145 1.00 0.00 N ATOM 1018 NH2 ARG A 70 4.054 -14.794 2.381 1.00 0.00 N ATOM 0 H ARG A 70 -1.219 -15.049 2.801 1.00 0.00 H new ATOM 0 HA ARG A 70 1.037 -16.960 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.289 -16.799 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.216 -17.674 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.031 -14.645 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.038 -15.543 6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.296 -15.049 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.240 -16.633 5.341 1.00 0.00 H new ATOM 0 HE ARG A 70 1.868 -14.366 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.089 -16.648 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.325 -16.456 3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.460 -14.126 1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.971 -15.035 2.004 1.00 0.00 H new ATOM 1032 N ARG A 71 -1.789 -17.388 1.522 1.00 0.00 N ATOM 1033 CA ARG A 71 -2.678 -18.312 0.828 1.00 0.00 C ATOM 1034 C ARG A 71 -2.331 -18.389 -0.656 1.00 0.00 C ATOM 1035 O ARG A 71 -2.384 -19.460 -1.263 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.135 -17.877 1.000 1.00 0.00 C ATOM 1037 CG ARG A 71 -4.497 -17.515 2.431 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.962 -17.802 2.725 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.283 -19.218 2.572 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.320 -19.804 3.161 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -8.131 -19.099 3.938 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.547 -21.098 2.974 1.00 0.00 N ATOM 0 H ARG A 71 -1.936 -16.406 1.289 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.547 -19.301 1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.327 -17.018 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.788 -18.681 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.869 -18.080 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.290 -16.459 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.197 -17.485 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.588 -17.214 2.054 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.678 -19.788 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.960 -18.104 4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.926 -19.551 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.925 -21.644 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.343 -21.547 3.427 1.00 0.00 H new ATOM 1056 N THR A 72 -1.977 -17.246 -1.236 1.00 0.00 N ATOM 1057 CA THR A 72 -1.624 -17.184 -2.649 1.00 0.00 C ATOM 1058 C THR A 72 -0.181 -16.727 -2.835 1.00 0.00 C ATOM 1059 O THR A 72 0.392 -16.874 -3.913 1.00 0.00 O ATOM 1060 CB THR A 72 -2.556 -16.230 -3.419 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.217 -14.870 -3.126 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.011 -16.485 -3.056 1.00 0.00 C ATOM 0 H THR A 72 -1.927 -16.351 -0.749 1.00 0.00 H new ATOM 0 HA THR A 72 -1.738 -18.192 -3.048 1.00 0.00 H new ATOM 0 HB THR A 72 -2.426 -16.414 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.844 -14.271 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.650 -15.799 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.274 -17.512 -3.308 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.152 -16.326 -1.987 1.00 0.00 H new ATOM 1070 N GLY A 73 0.400 -16.173 -1.775 1.00 0.00 N ATOM 1071 CA GLY A 73 1.772 -15.704 -1.843 1.00 0.00 C ATOM 1072 C GLY A 73 1.964 -14.623 -2.889 1.00 0.00 C ATOM 1073 O GLY A 73 3.091 -14.322 -3.282 1.00 0.00 O ATOM 0 H GLY A 73 -0.054 -16.041 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.070 -15.319 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.429 -16.544 -2.068 1.00 0.00 H new ATOM 1077 N LYS A 74 0.861 -14.038 -3.342 1.00 0.00 N ATOM 1078 CA LYS A 74 0.911 -12.984 -4.349 1.00 0.00 C ATOM 1079 C LYS A 74 1.335 -11.658 -3.727 1.00 0.00 C ATOM 1080 O LYS A 74 1.110 -11.399 -2.545 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.454 -12.830 -5.024 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.020 -14.135 -5.557 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.460 -14.466 -6.930 1.00 0.00 C ATOM 1084 CE LYS A 74 -0.945 -15.823 -7.418 1.00 0.00 C ATOM 1085 NZ LYS A 74 -0.397 -16.936 -6.594 1.00 0.00 N ATOM 0 H LYS A 74 -0.080 -14.276 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 74 1.650 -13.266 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.158 -12.404 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.365 -12.120 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.788 -14.943 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.106 -14.065 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.757 -13.695 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.629 -14.460 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.034 -15.852 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.650 -15.962 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.256 -17.505 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.114 -16.544 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.177 -17.537 -6.259 1.00 0.00 H new ATOM 1099 N PRO A 75 1.962 -10.795 -4.541 1.00 0.00 N ATOM 1100 CA PRO A 75 2.428 -9.480 -4.093 1.00 0.00 C ATOM 1101 C PRO A 75 1.276 -8.523 -3.806 1.00 0.00 C ATOM 1102 O PRO A 75 0.639 -8.010 -4.726 1.00 0.00 O ATOM 1103 CB PRO A 75 3.259 -8.976 -5.276 1.00 0.00 C ATOM 1104 CG PRO A 75 2.703 -9.689 -6.460 1.00 0.00 C ATOM 1105 CD PRO A 75 2.263 -11.038 -5.962 1.00 0.00 C ATOM 0 HA PRO A 75 2.985 -9.542 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.173 -7.895 -5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.317 -9.199 -5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.865 -9.139 -6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.454 -9.788 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.388 -11.400 -6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.046 -11.787 -6.085 1.00 0.00 H new ATOM 1113 N ILE A 76 1.014 -8.288 -2.525 1.00 0.00 N ATOM 1114 CA ILE A 76 -0.061 -7.391 -2.117 1.00 0.00 C ATOM 1115 C ILE A 76 0.488 -6.175 -1.379 1.00 0.00 C ATOM 1116 O ILE A 76 1.511 -6.258 -0.699 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.081 -8.109 -1.214 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.387 -8.677 0.025 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.786 -9.214 -1.986 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.334 -8.971 1.167 1.00 0.00 C ATOM 0 H ILE A 76 1.531 -8.706 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.562 -7.064 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.829 -7.386 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.134 -9.594 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.370 -7.969 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.504 -9.712 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.309 -8.784 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.051 -9.938 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.773 -9.371 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.837 -8.052 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.076 -9.702 0.846 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.200 -5.047 -1.515 1.00 0.00 N ATOM 1133 CA ALA A 77 0.216 -3.814 -0.858 1.00 0.00 C ATOM 1134 C ALA A 77 -0.306 -3.753 0.574 1.00 0.00 C ATOM 1135 O ALA A 77 -1.419 -4.194 0.859 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.264 -2.606 -1.649 1.00 0.00 C ATOM 0 H ALA A 77 -1.049 -4.961 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 77 1.305 -3.800 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.054 -1.692 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.162 -2.635 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.352 -2.624 -1.716 1.00 0.00 H new ATOM 1142 N VAL A 78 0.506 -3.203 1.472 1.00 0.00 N ATOM 1143 CA VAL A 78 0.126 -3.084 2.874 1.00 0.00 C ATOM 1144 C VAL A 78 0.697 -1.812 3.492 1.00 0.00 C ATOM 1145 O VAL A 78 1.596 -1.185 2.931 1.00 0.00 O ATOM 1146 CB VAL A 78 0.606 -4.298 3.691 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.016 -5.584 3.133 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.126 -4.362 3.707 1.00 0.00 C ATOM 0 H VAL A 78 1.431 -2.833 1.253 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.963 -3.043 2.904 1.00 0.00 H new ATOM 0 HB VAL A 78 0.259 -4.183 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.366 -6.431 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.072 -5.535 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.330 -5.709 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.448 -5.226 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.497 -4.453 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.524 -3.453 4.158 1.00 0.00 H new ATOM 1158 N LYS A 79 0.169 -1.436 4.652 1.00 0.00 N ATOM 1159 CA LYS A 79 0.627 -0.239 5.349 1.00 0.00 C ATOM 1160 C LYS A 79 0.732 0.942 4.390 1.00 0.00 C ATOM 1161 O LYS A 79 1.741 1.647 4.366 1.00 0.00 O ATOM 1162 CB LYS A 79 1.983 -0.496 6.010 1.00 0.00 C ATOM 1163 CG LYS A 79 2.087 -1.858 6.675 1.00 0.00 C ATOM 1164 CD LYS A 79 1.063 -2.016 7.786 1.00 0.00 C ATOM 1165 CE LYS A 79 0.696 -3.476 8.002 1.00 0.00 C ATOM 1166 NZ LYS A 79 1.584 -4.128 9.005 1.00 0.00 N ATOM 0 H LYS A 79 -0.576 -1.943 5.130 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.105 0.005 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.767 -0.407 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.167 0.278 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.940 -2.640 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.090 -1.990 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.461 -1.599 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.167 -1.447 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.340 -3.545 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.763 -4.011 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.302 -5.122 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.570 -4.085 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.501 -3.633 9.916 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.316 1.153 3.601 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.342 2.251 2.641 1.00 0.00 C ATOM 1182 C LEU A 80 -0.243 3.598 3.350 1.00 0.00 C ATOM 1183 O LEU A 80 -0.621 3.727 4.515 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.623 2.195 1.806 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.454 2.416 0.303 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.332 1.084 -0.422 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.620 3.221 -0.252 1.00 0.00 C ATOM 0 H LEU A 80 -1.159 0.578 3.607 1.00 0.00 H new ATOM 0 HA LEU A 80 0.520 2.144 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.091 1.223 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.315 2.946 2.188 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.537 2.982 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.212 1.261 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.465 0.542 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.232 0.493 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.483 3.369 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.551 2.682 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.663 4.190 0.245 1.00 0.00 H new ATOM 1199 N VAL A 81 0.268 4.599 2.640 1.00 0.00 N ATOM 1200 CA VAL A 81 0.414 5.937 3.200 1.00 0.00 C ATOM 1201 C VAL A 81 0.507 6.987 2.099 1.00 0.00 C ATOM 1202 O VAL A 81 1.343 6.888 1.200 1.00 0.00 O ATOM 1203 CB VAL A 81 1.662 6.037 4.097 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.420 5.343 5.429 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.873 5.446 3.391 1.00 0.00 C ATOM 0 H VAL A 81 0.588 4.508 1.676 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.474 6.126 3.803 1.00 0.00 H new ATOM 0 HB VAL A 81 1.863 7.090 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.313 5.424 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.580 5.816 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.193 4.291 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.746 5.525 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.685 4.397 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.057 5.992 2.466 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.357 7.993 2.174 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.372 9.064 1.185 1.00 0.00 C ATOM 1217 C LYS A 82 0.920 9.873 1.238 1.00 0.00 C ATOM 1218 O LYS A 82 1.291 10.400 2.287 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.572 9.985 1.418 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.035 10.710 0.167 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.526 11.003 0.212 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.967 11.832 -0.985 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.928 11.046 -2.249 1.00 0.00 N ATOM 0 H LYS A 82 -1.057 8.089 2.910 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.456 8.610 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.400 9.396 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.312 10.721 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.483 11.644 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.809 10.104 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.082 10.066 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.766 11.535 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.979 12.201 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.321 12.705 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.950 11.694 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.055 10.482 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.751 10.412 -2.289 1.00 0.00 H new ATOM 1237 N ILE A 83 1.601 9.967 0.100 1.00 0.00 N ATOM 1238 CA ILE A 83 2.850 10.714 0.018 1.00 0.00 C ATOM 1239 C ILE A 83 2.630 12.190 0.330 1.00 0.00 C ATOM 1240 O ILE A 83 3.350 12.779 1.136 1.00 0.00 O ATOM 1241 CB ILE A 83 3.491 10.586 -1.377 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.554 9.117 -1.800 1.00 0.00 C ATOM 1243 CG2 ILE A 83 4.881 11.204 -1.379 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.486 8.863 -2.964 1.00 0.00 C ATOM 0 H ILE A 83 1.309 9.535 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 83 3.523 10.285 0.760 1.00 0.00 H new ATOM 0 HB ILE A 83 2.874 11.125 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.876 8.516 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.552 8.781 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.321 11.106 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.810 12.259 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.509 10.690 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.481 7.801 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.153 9.437 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.497 9.168 -2.694 1.00 0.00 H new