USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 454 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= -0.178 (180deg=-0.735) USER MOD Single : A 21 SER OG : rot -123:sc= -0.919 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 51:sc= 0.462 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0325 (180deg=-0.23) USER MOD Single : A 43 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.58) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 165:sc= -0.806 USER MOD Single : A 64 HIS : no HD1:sc= 0.326 K(o=0.33,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 66 TYR OH : rot -71:sc= 1.74 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 2.066 -9.227 3.080 1.00 0.00 N ATOM 166 CA LYS A 12 2.577 -9.077 4.438 1.00 0.00 C ATOM 167 C LYS A 12 1.559 -9.573 5.460 1.00 0.00 C ATOM 168 O LYS A 12 0.389 -9.781 5.135 1.00 0.00 O ATOM 169 CB LYS A 12 2.924 -7.613 4.716 1.00 0.00 C ATOM 170 CG LYS A 12 4.351 -7.245 4.348 1.00 0.00 C ATOM 171 CD LYS A 12 4.505 -5.748 4.139 1.00 0.00 C ATOM 172 CE LYS A 12 5.969 -5.337 4.113 1.00 0.00 C ATOM 173 NZ LYS A 12 6.638 -5.749 2.849 1.00 0.00 N ATOM 0 HA LYS A 12 3.480 -9.681 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.238 -6.974 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.766 -7.406 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.027 -7.575 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.641 -7.772 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.028 -5.459 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.990 -5.213 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.045 -4.256 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.487 -5.785 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.634 -5.451 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.588 -6.783 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.160 -5.301 2.041 1.00 0.00 H new ATOM 187 N TYR A 13 2.010 -9.758 6.695 1.00 0.00 N ATOM 188 CA TYR A 13 1.138 -10.230 7.764 1.00 0.00 C ATOM 189 C TYR A 13 1.245 -9.330 8.991 1.00 0.00 C ATOM 190 O TYR A 13 2.341 -8.950 9.404 1.00 0.00 O ATOM 191 CB TYR A 13 1.492 -11.670 8.142 1.00 0.00 C ATOM 192 CG TYR A 13 1.212 -12.670 7.042 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.010 -12.723 5.906 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.151 -13.561 7.140 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.759 -13.634 4.898 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.107 -14.476 6.138 1.00 0.00 C ATOM 197 CZ TYR A 13 0.699 -14.509 5.019 1.00 0.00 C ATOM 198 OH TYR A 13 0.445 -15.419 4.019 1.00 0.00 O ATOM 0 H TYR A 13 2.974 -9.588 6.981 1.00 0.00 H new ATOM 0 HA TYR A 13 0.111 -10.199 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.549 -11.719 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.928 -11.953 9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.841 -12.040 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.483 -13.538 8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.389 -13.661 4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.936 -15.162 6.230 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.335 -15.961 4.260 1.00 0.00 H new ATOM 208 N VAL A 14 0.097 -8.993 9.572 1.00 0.00 N ATOM 209 CA VAL A 14 0.060 -8.139 10.753 1.00 0.00 C ATOM 210 C VAL A 14 -0.652 -8.832 11.910 1.00 0.00 C ATOM 211 O VAL A 14 -1.615 -9.570 11.707 1.00 0.00 O ATOM 212 CB VAL A 14 -0.645 -6.802 10.457 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.156 -6.984 10.458 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.226 -5.745 11.467 1.00 0.00 C ATOM 0 H VAL A 14 -0.819 -9.299 9.244 1.00 0.00 H new ATOM 0 HA VAL A 14 1.095 -7.941 11.033 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.345 -6.463 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.638 -6.029 10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.436 -7.708 9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.478 -7.345 11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.733 -4.807 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.496 -6.073 12.471 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.852 -5.596 11.412 1.00 0.00 H new ATOM 224 N GLY A 15 -0.171 -8.588 13.125 1.00 0.00 N ATOM 225 CA GLY A 15 -0.774 -9.196 14.297 1.00 0.00 C ATOM 226 C GLY A 15 -0.130 -8.730 15.588 1.00 0.00 C ATOM 227 O GLY A 15 0.125 -7.538 15.768 1.00 0.00 O ATOM 0 H GLY A 15 0.625 -7.980 13.319 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.838 -8.959 14.319 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.691 -10.280 14.224 1.00 0.00 H new ATOM 231 N LEU A 16 0.132 -9.669 16.489 1.00 0.00 N ATOM 232 CA LEU A 16 0.749 -9.349 17.772 1.00 0.00 C ATOM 233 C LEU A 16 0.021 -8.194 18.453 1.00 0.00 C ATOM 234 O LEU A 16 0.485 -7.054 18.428 1.00 0.00 O ATOM 235 CB LEU A 16 2.224 -8.992 17.576 1.00 0.00 C ATOM 236 CG LEU A 16 3.204 -10.165 17.582 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.695 -11.292 16.697 1.00 0.00 C ATOM 238 CD2 LEU A 16 4.584 -9.710 17.129 1.00 0.00 C ATOM 0 H LEU A 16 -0.073 -10.659 16.355 1.00 0.00 H new ATOM 0 HA LEU A 16 0.676 -10.228 18.412 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.327 -8.464 16.628 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.516 -8.296 18.362 1.00 0.00 H new ATOM 0 HG LEU A 16 3.284 -10.541 18.602 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.406 -12.118 16.714 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.729 -11.637 17.067 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.584 -10.930 15.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.268 -10.558 17.140 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.521 -9.307 16.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.953 -8.938 17.805 1.00 0.00 H new ATOM 250 N TRP A 17 -1.120 -8.498 19.061 1.00 0.00 N ATOM 251 CA TRP A 17 -1.911 -7.485 19.751 1.00 0.00 C ATOM 252 C TRP A 17 -1.179 -6.971 20.986 1.00 0.00 C ATOM 253 O TRP A 17 -1.372 -7.482 22.089 1.00 0.00 O ATOM 254 CB TRP A 17 -3.272 -8.056 20.150 1.00 0.00 C ATOM 255 CG TRP A 17 -4.215 -7.023 20.688 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.250 -5.697 20.364 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.258 -7.232 21.648 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.252 -5.069 21.064 1.00 0.00 N ATOM 259 CE2 TRP A 17 -5.885 -5.988 21.858 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.723 -8.348 22.348 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -6.951 -5.832 22.739 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.782 -8.191 23.222 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.387 -6.942 23.412 1.00 0.00 C ATOM 0 H TRP A 17 -1.518 -9.437 19.090 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.062 -6.649 19.067 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.726 -8.535 19.282 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.126 -8.831 20.902 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.588 -5.213 19.661 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.486 -4.078 21.002 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.263 -9.315 22.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.418 -4.869 22.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.150 -9.047 23.768 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.213 -6.853 24.102 1.00 0.00 H new ATOM 274 N ASP A 18 -0.341 -5.959 20.793 1.00 0.00 N ATOM 275 CA ASP A 18 0.418 -5.375 21.893 1.00 0.00 C ATOM 276 C ASP A 18 1.126 -6.459 22.700 1.00 0.00 C ATOM 277 O ASP A 18 1.273 -6.346 23.917 1.00 0.00 O ATOM 278 CB ASP A 18 -0.504 -4.564 22.804 1.00 0.00 C ATOM 279 CG ASP A 18 -0.582 -3.106 22.398 1.00 0.00 C ATOM 280 OD1 ASP A 18 0.273 -2.317 22.851 1.00 0.00 O ATOM 281 OD2 ASP A 18 -1.500 -2.752 21.628 1.00 0.00 O ATOM 0 H ASP A 18 -0.170 -5.526 19.886 1.00 0.00 H new ATOM 0 HA ASP A 18 1.172 -4.711 21.469 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.504 -4.998 22.783 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.147 -4.633 23.832 1.00 0.00 H new ATOM 286 N PHE A 19 1.563 -7.510 22.014 1.00 0.00 N ATOM 287 CA PHE A 19 2.254 -8.616 22.667 1.00 0.00 C ATOM 288 C PHE A 19 3.760 -8.377 22.693 1.00 0.00 C ATOM 289 O PHE A 19 4.397 -8.235 21.649 1.00 0.00 O ATOM 290 CB PHE A 19 1.947 -9.932 21.949 1.00 0.00 C ATOM 291 CG PHE A 19 0.652 -10.561 22.376 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.416 -10.854 23.710 1.00 0.00 C ATOM 293 CD2 PHE A 19 -0.330 -10.858 21.445 1.00 0.00 C ATOM 294 CE1 PHE A 19 -0.775 -11.433 24.106 1.00 0.00 C ATOM 295 CE2 PHE A 19 -1.523 -11.437 21.835 1.00 0.00 C ATOM 296 CZ PHE A 19 -1.746 -11.724 23.168 1.00 0.00 C ATOM 0 H PHE A 19 1.451 -7.619 21.006 1.00 0.00 H new ATOM 0 HA PHE A 19 1.896 -8.679 23.695 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.917 -9.752 20.874 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.760 -10.634 22.132 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.171 -10.627 24.448 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.161 -10.634 20.402 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.946 -11.658 25.148 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.280 -11.665 21.099 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.678 -12.175 23.476 1.00 0.00 H new ATOM 306 N LYS A 20 4.325 -8.332 23.895 1.00 0.00 N ATOM 307 CA LYS A 20 5.757 -8.111 24.060 1.00 0.00 C ATOM 308 C LYS A 20 6.381 -9.204 24.922 1.00 0.00 C ATOM 309 O LYS A 20 6.216 -9.215 26.142 1.00 0.00 O ATOM 310 CB LYS A 20 6.013 -6.741 24.691 1.00 0.00 C ATOM 311 CG LYS A 20 5.250 -5.611 24.022 1.00 0.00 C ATOM 312 CD LYS A 20 5.788 -5.322 22.630 1.00 0.00 C ATOM 313 CE LYS A 20 5.625 -3.855 22.263 1.00 0.00 C ATOM 314 NZ LYS A 20 6.412 -2.967 23.163 1.00 0.00 N ATOM 0 H LYS A 20 3.813 -8.446 24.770 1.00 0.00 H new ATOM 0 HA LYS A 20 6.220 -8.142 23.074 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.739 -6.779 25.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.080 -6.524 24.647 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.194 -5.872 23.958 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.319 -4.712 24.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.842 -5.595 22.582 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.265 -5.941 21.901 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.943 -3.701 21.232 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.571 -3.583 22.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.658 -2.091 22.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.846 -2.735 24.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.283 -3.454 23.456 1.00 0.00 H new ATOM 328 N SER A 21 7.099 -10.120 24.280 1.00 0.00 N ATOM 329 CA SER A 21 7.745 -11.219 24.988 1.00 0.00 C ATOM 330 C SER A 21 9.229 -10.932 25.196 1.00 0.00 C ATOM 331 O SER A 21 9.721 -9.859 24.845 1.00 0.00 O ATOM 332 CB SER A 21 7.571 -12.526 24.213 1.00 0.00 C ATOM 333 OG SER A 21 6.250 -13.023 24.342 1.00 0.00 O ATOM 0 H SER A 21 7.248 -10.123 23.271 1.00 0.00 H new ATOM 0 HA SER A 21 7.271 -11.318 25.964 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.800 -12.361 23.160 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.280 -13.268 24.581 1.00 0.00 H new ATOM 0 HG SER A 21 6.277 -13.932 24.707 1.00 0.00 H new ATOM 339 N ARG A 22 9.937 -11.899 25.771 1.00 0.00 N ATOM 340 CA ARG A 22 11.365 -11.751 26.027 1.00 0.00 C ATOM 341 C ARG A 22 12.123 -13.013 25.627 1.00 0.00 C ATOM 342 O ARG A 22 13.122 -13.375 26.250 1.00 0.00 O ATOM 343 CB ARG A 22 11.610 -11.444 27.506 1.00 0.00 C ATOM 344 CG ARG A 22 11.083 -12.515 28.446 1.00 0.00 C ATOM 345 CD ARG A 22 10.808 -11.954 29.832 1.00 0.00 C ATOM 346 NE ARG A 22 12.012 -11.404 30.449 1.00 0.00 N ATOM 347 CZ ARG A 22 12.076 -11.013 31.717 1.00 0.00 C ATOM 348 NH1 ARG A 22 11.010 -11.112 32.499 1.00 0.00 N ATOM 349 NH2 ARG A 22 13.208 -10.523 32.205 1.00 0.00 N ATOM 0 H ARG A 22 9.545 -12.793 26.068 1.00 0.00 H new ATOM 0 HA ARG A 22 11.732 -10.921 25.424 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.681 -11.323 27.671 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.140 -10.492 27.753 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.167 -12.941 28.037 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.808 -13.326 28.518 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.048 -11.176 29.764 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.402 -12.741 30.468 1.00 0.00 H new ATOM 0 HE ARG A 22 12.850 -11.315 29.875 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.138 -11.489 32.127 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.062 -10.811 33.472 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.030 -10.446 31.606 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.256 -10.223 33.179 1.00 0.00 H new ATOM 363 N THR A 23 11.642 -13.680 24.583 1.00 0.00 N ATOM 364 CA THR A 23 12.272 -14.902 24.100 1.00 0.00 C ATOM 365 C THR A 23 12.192 -14.999 22.581 1.00 0.00 C ATOM 366 O THR A 23 11.276 -14.457 21.962 1.00 0.00 O ATOM 367 CB THR A 23 11.619 -16.153 24.718 1.00 0.00 C ATOM 368 OG1 THR A 23 10.195 -16.006 24.732 1.00 0.00 O ATOM 369 CG2 THR A 23 12.124 -16.384 26.134 1.00 0.00 C ATOM 0 H THR A 23 10.817 -13.394 24.055 1.00 0.00 H new ATOM 0 HA THR A 23 13.318 -14.859 24.404 1.00 0.00 H new ATOM 0 HB THR A 23 11.889 -17.015 24.108 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.787 -16.806 25.125 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.649 -17.273 26.549 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.205 -16.525 26.116 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.881 -15.520 26.752 1.00 0.00 H new ATOM 377 N ASP A 24 13.155 -15.693 21.985 1.00 0.00 N ATOM 378 CA ASP A 24 13.192 -15.863 20.537 1.00 0.00 C ATOM 379 C ASP A 24 11.926 -16.552 20.038 1.00 0.00 C ATOM 380 O ASP A 24 11.572 -16.445 18.865 1.00 0.00 O ATOM 381 CB ASP A 24 14.424 -16.673 20.129 1.00 0.00 C ATOM 382 CG ASP A 24 15.715 -15.904 20.331 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.801 -14.752 19.856 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.640 -16.455 20.964 1.00 0.00 O ATOM 0 H ASP A 24 13.921 -16.147 22.482 1.00 0.00 H new ATOM 0 HA ASP A 24 13.249 -14.875 20.081 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.458 -17.594 20.710 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.336 -16.960 19.081 1.00 0.00 H new ATOM 389 N GLU A 25 11.250 -17.260 20.938 1.00 0.00 N ATOM 390 CA GLU A 25 10.025 -17.968 20.587 1.00 0.00 C ATOM 391 C GLU A 25 8.897 -16.986 20.282 1.00 0.00 C ATOM 392 O GLU A 25 7.853 -17.369 19.756 1.00 0.00 O ATOM 393 CB GLU A 25 9.607 -18.904 21.723 1.00 0.00 C ATOM 394 CG GLU A 25 10.750 -19.738 22.277 1.00 0.00 C ATOM 395 CD GLU A 25 10.270 -20.876 23.156 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.066 -21.203 23.099 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.099 -21.441 23.900 1.00 0.00 O ATOM 0 H GLU A 25 11.530 -17.358 21.914 1.00 0.00 H new ATOM 0 HA GLU A 25 10.221 -18.559 19.692 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.176 -18.312 22.530 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.823 -19.571 21.363 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.333 -20.144 21.450 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.417 -19.096 22.852 1.00 0.00 H new ATOM 404 N GLU A 26 9.118 -15.719 20.616 1.00 0.00 N ATOM 405 CA GLU A 26 8.120 -14.682 20.379 1.00 0.00 C ATOM 406 C GLU A 26 8.779 -13.392 19.899 1.00 0.00 C ATOM 407 O GLU A 26 9.966 -13.163 20.134 1.00 0.00 O ATOM 408 CB GLU A 26 7.317 -14.414 21.654 1.00 0.00 C ATOM 409 CG GLU A 26 6.169 -15.386 21.866 1.00 0.00 C ATOM 410 CD GLU A 26 4.964 -14.733 22.515 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.653 -13.577 22.159 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.332 -15.377 23.378 1.00 0.00 O ATOM 0 H GLU A 26 9.978 -15.386 21.051 1.00 0.00 H new ATOM 0 HA GLU A 26 7.444 -15.036 19.601 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.987 -14.463 22.512 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.921 -13.399 21.617 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.875 -15.810 20.906 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.509 -16.213 22.489 1.00 0.00 H new ATOM 419 N LEU A 27 8.001 -12.553 19.225 1.00 0.00 N ATOM 420 CA LEU A 27 8.507 -11.285 18.711 1.00 0.00 C ATOM 421 C LEU A 27 8.307 -10.166 19.728 1.00 0.00 C ATOM 422 O LEU A 27 7.284 -10.109 20.409 1.00 0.00 O ATOM 423 CB LEU A 27 7.808 -10.928 17.398 1.00 0.00 C ATOM 424 CG LEU A 27 8.247 -11.721 16.166 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.755 -11.643 15.991 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.795 -13.170 16.276 1.00 0.00 C ATOM 0 H LEU A 27 7.017 -12.728 19.021 1.00 0.00 H new ATOM 0 HA LEU A 27 9.576 -11.397 18.527 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.735 -11.067 17.531 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.970 -9.868 17.200 1.00 0.00 H new ATOM 0 HG LEU A 27 7.777 -11.280 15.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.049 -12.213 15.110 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.053 -10.602 15.866 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.245 -12.058 16.872 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.116 -13.719 15.391 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.237 -13.622 17.164 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.708 -13.207 16.352 1.00 0.00 H new ATOM 438 N SER A 28 9.291 -9.277 19.823 1.00 0.00 N ATOM 439 CA SER A 28 9.223 -8.160 20.757 1.00 0.00 C ATOM 440 C SER A 28 8.786 -6.882 20.046 1.00 0.00 C ATOM 441 O SER A 28 9.603 -6.007 19.759 1.00 0.00 O ATOM 442 CB SER A 28 10.582 -7.945 21.427 1.00 0.00 C ATOM 443 OG SER A 28 11.600 -7.742 20.462 1.00 0.00 O ATOM 0 H SER A 28 10.144 -9.309 19.265 1.00 0.00 H new ATOM 0 HA SER A 28 8.483 -8.401 21.520 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.531 -7.083 22.093 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.828 -8.810 22.043 1.00 0.00 H new ATOM 0 HG SER A 28 11.321 -7.044 19.834 1.00 0.00 H new ATOM 449 N PHE A 29 7.491 -6.783 19.766 1.00 0.00 N ATOM 450 CA PHE A 29 6.943 -5.614 19.087 1.00 0.00 C ATOM 451 C PHE A 29 5.440 -5.504 19.321 1.00 0.00 C ATOM 452 O PHE A 29 4.793 -6.467 19.733 1.00 0.00 O ATOM 453 CB PHE A 29 7.234 -5.686 17.587 1.00 0.00 C ATOM 454 CG PHE A 29 7.848 -4.432 17.034 1.00 0.00 C ATOM 455 CD1 PHE A 29 9.220 -4.242 17.072 1.00 0.00 C ATOM 456 CD2 PHE A 29 7.054 -3.443 16.476 1.00 0.00 C ATOM 457 CE1 PHE A 29 9.788 -3.088 16.565 1.00 0.00 C ATOM 458 CE2 PHE A 29 7.616 -2.287 15.967 1.00 0.00 C ATOM 459 CZ PHE A 29 8.985 -2.110 16.011 1.00 0.00 C ATOM 0 H PHE A 29 6.801 -7.498 19.999 1.00 0.00 H new ATOM 0 HA PHE A 29 7.423 -4.727 19.500 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.904 -6.524 17.395 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.305 -5.892 17.054 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.853 -5.004 17.503 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.983 -3.577 16.438 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.859 -2.951 16.602 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.986 -1.524 15.536 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.427 -1.209 15.613 1.00 0.00 H new ATOM 469 N ARG A 30 4.890 -4.324 19.055 1.00 0.00 N ATOM 470 CA ARG A 30 3.463 -4.086 19.238 1.00 0.00 C ATOM 471 C ARG A 30 2.701 -4.325 17.938 1.00 0.00 C ATOM 472 O ARG A 30 3.300 -4.446 16.869 1.00 0.00 O ATOM 473 CB ARG A 30 3.221 -2.658 19.729 1.00 0.00 C ATOM 474 CG ARG A 30 3.434 -1.601 18.657 1.00 0.00 C ATOM 475 CD ARG A 30 3.123 -0.207 19.180 1.00 0.00 C ATOM 476 NE ARG A 30 1.714 -0.056 19.530 1.00 0.00 N ATOM 477 CZ ARG A 30 1.238 0.959 20.242 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.055 1.908 20.678 1.00 0.00 N ATOM 479 NH2 ARG A 30 -0.058 1.027 20.520 1.00 0.00 N ATOM 0 H ARG A 30 5.411 -3.517 18.712 1.00 0.00 H new ATOM 0 HA ARG A 30 3.097 -4.787 19.988 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.201 -2.580 20.106 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.887 -2.453 20.567 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.466 -1.638 18.308 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.799 -1.819 17.798 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.738 -0.003 20.056 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.390 0.532 18.424 1.00 0.00 H new ATOM 0 HE ARG A 30 1.059 -0.769 19.210 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.052 1.860 20.467 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.687 2.686 21.225 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.690 0.299 20.187 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.422 1.807 21.067 1.00 0.00 H new ATOM 493 N ALA A 31 1.378 -4.393 18.037 1.00 0.00 N ATOM 494 CA ALA A 31 0.534 -4.615 16.869 1.00 0.00 C ATOM 495 C ALA A 31 0.685 -3.482 15.860 1.00 0.00 C ATOM 496 O ALA A 31 1.245 -2.432 16.170 1.00 0.00 O ATOM 497 CB ALA A 31 -0.921 -4.761 17.289 1.00 0.00 C ATOM 0 H ALA A 31 0.867 -4.298 18.914 1.00 0.00 H new ATOM 0 HA ALA A 31 0.856 -5.539 16.389 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.540 -4.926 16.407 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.021 -5.609 17.966 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.246 -3.852 17.795 1.00 0.00 H new ATOM 503 N GLY A 32 0.181 -3.704 14.649 1.00 0.00 N ATOM 504 CA GLY A 32 0.271 -2.692 13.612 1.00 0.00 C ATOM 505 C GLY A 32 1.476 -2.888 12.714 1.00 0.00 C ATOM 506 O GLY A 32 1.491 -2.422 11.574 1.00 0.00 O ATOM 0 H GLY A 32 -0.287 -4.565 14.368 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.636 -2.714 13.008 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.323 -1.706 14.074 1.00 0.00 H new ATOM 510 N ASP A 33 2.488 -3.578 13.227 1.00 0.00 N ATOM 511 CA ASP A 33 3.704 -3.834 12.463 1.00 0.00 C ATOM 512 C ASP A 33 3.499 -4.987 11.486 1.00 0.00 C ATOM 513 O ASP A 33 2.823 -5.967 11.799 1.00 0.00 O ATOM 514 CB ASP A 33 4.867 -4.148 13.406 1.00 0.00 C ATOM 515 CG ASP A 33 5.846 -2.996 13.520 1.00 0.00 C ATOM 516 OD1 ASP A 33 5.407 -1.874 13.850 1.00 0.00 O ATOM 517 OD2 ASP A 33 7.052 -3.217 13.281 1.00 0.00 O ATOM 0 H ASP A 33 2.491 -3.970 14.169 1.00 0.00 H new ATOM 0 HA ASP A 33 3.941 -2.936 11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.475 -4.387 14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.392 -5.034 13.048 1.00 0.00 H new ATOM 522 N VAL A 34 4.088 -4.864 10.301 1.00 0.00 N ATOM 523 CA VAL A 34 3.970 -5.895 9.277 1.00 0.00 C ATOM 524 C VAL A 34 5.150 -6.860 9.331 1.00 0.00 C ATOM 525 O VAL A 34 6.252 -6.488 9.736 1.00 0.00 O ATOM 526 CB VAL A 34 3.888 -5.281 7.867 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.711 -4.322 7.771 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.190 -4.577 7.516 1.00 0.00 C ATOM 0 H VAL A 34 4.652 -4.060 10.026 1.00 0.00 H new ATOM 0 HA VAL A 34 3.048 -6.439 9.482 1.00 0.00 H new ATOM 0 HB VAL A 34 3.731 -6.085 7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.668 -3.898 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.786 -4.860 7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.834 -3.520 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.114 -4.149 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.380 -3.782 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.010 -5.294 7.542 1.00 0.00 H new ATOM 538 N PHE A 35 4.912 -8.101 8.919 1.00 0.00 N ATOM 539 CA PHE A 35 5.955 -9.120 8.921 1.00 0.00 C ATOM 540 C PHE A 35 5.734 -10.126 7.795 1.00 0.00 C ATOM 541 O PHE A 35 4.654 -10.188 7.206 1.00 0.00 O ATOM 542 CB PHE A 35 5.988 -9.844 10.268 1.00 0.00 C ATOM 543 CG PHE A 35 4.629 -10.038 10.878 1.00 0.00 C ATOM 544 CD1 PHE A 35 3.861 -11.144 10.554 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.120 -9.114 11.777 1.00 0.00 C ATOM 546 CE1 PHE A 35 2.610 -11.324 11.113 1.00 0.00 C ATOM 547 CE2 PHE A 35 2.870 -9.288 12.340 1.00 0.00 C ATOM 548 CZ PHE A 35 2.114 -10.396 12.008 1.00 0.00 C ATOM 0 H PHE A 35 4.006 -8.425 8.580 1.00 0.00 H new ATOM 0 HA PHE A 35 6.912 -8.625 8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.461 -10.817 10.137 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.611 -9.278 10.961 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.244 -11.874 9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.708 -8.247 12.041 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.020 -12.190 10.850 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.485 -8.559 13.038 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.137 -10.536 12.447 1.00 0.00 H new ATOM 558 N HIS A 36 6.765 -10.912 7.501 1.00 0.00 N ATOM 559 CA HIS A 36 6.684 -11.916 6.446 1.00 0.00 C ATOM 560 C HIS A 36 7.213 -13.261 6.934 1.00 0.00 C ATOM 561 O HIS A 36 8.209 -13.323 7.656 1.00 0.00 O ATOM 562 CB HIS A 36 7.472 -11.460 5.218 1.00 0.00 C ATOM 563 CG HIS A 36 7.322 -12.371 4.038 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.312 -13.239 3.628 1.00 0.00 N ATOM 565 CD2 HIS A 36 6.290 -12.547 3.181 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.896 -13.909 2.568 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.671 -13.508 2.276 1.00 0.00 N ATOM 0 H HIS A 36 7.666 -10.873 7.978 1.00 0.00 H new ATOM 0 HA HIS A 36 5.636 -12.036 6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.145 -10.459 4.938 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.528 -11.389 5.480 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.343 -12.029 3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.461 -14.657 2.031 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.101 -13.855 1.505 1.00 0.00 H new ATOM 575 N VAL A 37 6.540 -14.336 6.536 1.00 0.00 N ATOM 576 CA VAL A 37 6.943 -15.680 6.933 1.00 0.00 C ATOM 577 C VAL A 37 8.085 -16.191 6.062 1.00 0.00 C ATOM 578 O VAL A 37 7.994 -16.185 4.835 1.00 0.00 O ATOM 579 CB VAL A 37 5.765 -16.668 6.847 1.00 0.00 C ATOM 580 CG1 VAL A 37 6.163 -18.025 7.405 1.00 0.00 C ATOM 581 CG2 VAL A 37 4.552 -16.115 7.582 1.00 0.00 C ATOM 0 H VAL A 37 5.714 -14.302 5.939 1.00 0.00 H new ATOM 0 HA VAL A 37 7.279 -15.617 7.968 1.00 0.00 H new ATOM 0 HB VAL A 37 5.499 -16.798 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.317 -18.709 7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.000 -18.423 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.457 -17.917 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.729 -16.826 7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.804 -15.954 8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.254 -15.168 7.131 1.00 0.00 H new ATOM 591 N ALA A 38 9.161 -16.634 6.705 1.00 0.00 N ATOM 592 CA ALA A 38 10.320 -17.151 5.989 1.00 0.00 C ATOM 593 C ALA A 38 10.221 -18.662 5.803 1.00 0.00 C ATOM 594 O ALA A 38 10.751 -19.214 4.838 1.00 0.00 O ATOM 595 CB ALA A 38 11.600 -16.792 6.728 1.00 0.00 C ATOM 0 H ALA A 38 9.253 -16.645 7.721 1.00 0.00 H new ATOM 0 HA ALA A 38 10.342 -16.690 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.458 -17.185 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.684 -15.708 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.577 -17.226 7.728 1.00 0.00 H new ATOM 601 N ARG A 39 9.539 -19.324 6.731 1.00 0.00 N ATOM 602 CA ARG A 39 9.373 -20.771 6.670 1.00 0.00 C ATOM 603 C ARG A 39 8.026 -21.189 7.252 1.00 0.00 C ATOM 604 O ARG A 39 7.655 -20.771 8.350 1.00 0.00 O ATOM 605 CB ARG A 39 10.505 -21.469 7.425 1.00 0.00 C ATOM 606 CG ARG A 39 11.845 -21.402 6.711 1.00 0.00 C ATOM 607 CD ARG A 39 11.868 -22.300 5.483 1.00 0.00 C ATOM 608 NE ARG A 39 13.075 -22.104 4.685 1.00 0.00 N ATOM 609 CZ ARG A 39 13.393 -22.857 3.637 1.00 0.00 C ATOM 610 NH1 ARG A 39 12.597 -23.850 3.264 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.508 -22.617 2.960 1.00 0.00 N ATOM 0 H ARG A 39 9.092 -18.882 7.534 1.00 0.00 H new ATOM 0 HA ARG A 39 9.406 -21.071 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.605 -21.017 8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.237 -22.514 7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.049 -20.373 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.639 -21.700 7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.805 -23.343 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.990 -22.097 4.869 1.00 0.00 H new ATOM 0 HE ARG A 39 13.708 -21.348 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.738 -24.037 3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.843 -24.426 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.123 -21.854 3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.751 -23.196 2.156 1.00 0.00 H new ATOM 625 N LYS A 40 7.296 -22.015 6.510 1.00 0.00 N ATOM 626 CA LYS A 40 5.991 -22.491 6.952 1.00 0.00 C ATOM 627 C LYS A 40 6.047 -23.969 7.325 1.00 0.00 C ATOM 628 O LYS A 40 6.221 -24.829 6.462 1.00 0.00 O ATOM 629 CB LYS A 40 4.947 -22.271 5.854 1.00 0.00 C ATOM 630 CG LYS A 40 5.410 -22.713 4.477 1.00 0.00 C ATOM 631 CD LYS A 40 4.346 -22.458 3.423 1.00 0.00 C ATOM 632 CE LYS A 40 4.765 -23.001 2.065 1.00 0.00 C ATOM 633 NZ LYS A 40 6.073 -22.442 1.624 1.00 0.00 N ATOM 0 H LYS A 40 7.587 -22.369 5.599 1.00 0.00 H new ATOM 0 HA LYS A 40 5.706 -21.922 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.038 -22.814 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.687 -21.213 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.323 -22.180 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.656 -23.775 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.410 -22.924 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.158 -21.387 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.832 -24.088 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.000 -22.762 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.236 -22.685 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.062 -21.408 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.836 -22.843 2.206 1.00 0.00 H new ATOM 647 N GLU A 41 5.899 -24.255 8.615 1.00 0.00 N ATOM 648 CA GLU A 41 5.933 -25.630 9.100 1.00 0.00 C ATOM 649 C GLU A 41 4.552 -26.075 9.570 1.00 0.00 C ATOM 650 O GLU A 41 3.659 -25.252 9.774 1.00 0.00 O ATOM 651 CB GLU A 41 6.941 -25.765 10.243 1.00 0.00 C ATOM 652 CG GLU A 41 7.580 -27.141 10.331 1.00 0.00 C ATOM 653 CD GLU A 41 8.246 -27.559 9.034 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.260 -26.932 8.659 1.00 0.00 O ATOM 655 OE2 GLU A 41 7.754 -28.511 8.394 1.00 0.00 O ATOM 0 H GLU A 41 5.755 -23.554 9.342 1.00 0.00 H new ATOM 0 HA GLU A 41 6.241 -26.272 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.724 -25.017 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.440 -25.545 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.319 -27.144 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.819 -27.875 10.597 1.00 0.00 H new ATOM 662 N GLU A 42 4.384 -27.383 9.740 1.00 0.00 N ATOM 663 CA GLU A 42 3.111 -27.937 10.185 1.00 0.00 C ATOM 664 C GLU A 42 2.871 -27.633 11.661 1.00 0.00 C ATOM 665 O GLU A 42 1.729 -27.576 12.115 1.00 0.00 O ATOM 666 CB GLU A 42 3.079 -29.449 9.953 1.00 0.00 C ATOM 667 CG GLU A 42 3.945 -30.233 10.925 1.00 0.00 C ATOM 668 CD GLU A 42 3.848 -31.732 10.715 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.574 -32.155 9.573 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.048 -32.481 11.694 1.00 0.00 O ATOM 0 H GLU A 42 5.113 -28.078 9.576 1.00 0.00 H new ATOM 0 HA GLU A 42 2.317 -27.470 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.050 -29.799 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.408 -29.659 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.983 -29.921 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.648 -29.993 11.946 1.00 0.00 H new ATOM 677 N GLN A 43 3.956 -27.440 12.404 1.00 0.00 N ATOM 678 CA GLN A 43 3.864 -27.144 13.828 1.00 0.00 C ATOM 679 C GLN A 43 3.747 -25.641 14.065 1.00 0.00 C ATOM 680 O GLN A 43 2.690 -25.145 14.454 1.00 0.00 O ATOM 681 CB GLN A 43 5.086 -27.694 14.565 1.00 0.00 C ATOM 682 CG GLN A 43 5.258 -29.198 14.420 1.00 0.00 C ATOM 683 CD GLN A 43 6.009 -29.814 15.584 1.00 0.00 C ATOM 684 OE1 GLN A 43 5.758 -29.487 16.744 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.939 -30.713 15.279 1.00 0.00 N ATOM 0 H GLN A 43 4.909 -27.483 12.043 1.00 0.00 H new ATOM 0 HA GLN A 43 2.967 -27.626 14.216 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.980 -27.197 14.190 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.004 -27.446 15.623 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.277 -29.666 14.337 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.792 -29.411 13.494 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.114 -30.954 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.477 -31.162 16.020 1.00 0.00 H new ATOM 694 N TRP A 44 4.839 -24.924 13.828 1.00 0.00 N ATOM 695 CA TRP A 44 4.858 -23.477 14.016 1.00 0.00 C ATOM 696 C TRP A 44 5.330 -22.770 12.750 1.00 0.00 C ATOM 697 O TRP A 44 6.011 -23.364 11.914 1.00 0.00 O ATOM 698 CB TRP A 44 5.766 -23.107 15.190 1.00 0.00 C ATOM 699 CG TRP A 44 5.488 -23.903 16.429 1.00 0.00 C ATOM 700 CD1 TRP A 44 6.006 -25.126 16.751 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.626 -23.534 17.510 1.00 0.00 C ATOM 702 NE1 TRP A 44 5.517 -25.538 17.967 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.669 -24.579 18.454 1.00 0.00 C ATOM 704 CE3 TRP A 44 3.823 -22.421 17.774 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.938 -24.542 19.639 1.00 0.00 C ATOM 706 CZ3 TRP A 44 3.098 -22.386 18.950 1.00 0.00 C ATOM 707 CH2 TRP A 44 3.161 -23.440 19.871 1.00 0.00 C ATOM 0 H TRP A 44 5.722 -25.320 13.506 1.00 0.00 H new ATOM 0 HA TRP A 44 3.841 -23.150 14.235 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.805 -23.255 14.897 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.646 -22.047 15.413 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.698 -25.686 16.140 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.748 -26.416 18.432 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.770 -21.603 17.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.983 -25.354 20.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.472 -21.532 19.163 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.585 -23.381 20.782 1.00 0.00 H new ATOM 718 N TRP A 45 4.964 -21.500 12.616 1.00 0.00 N ATOM 719 CA TRP A 45 5.351 -20.713 11.451 1.00 0.00 C ATOM 720 C TRP A 45 6.460 -19.728 11.804 1.00 0.00 C ATOM 721 O TRP A 45 6.389 -19.038 12.821 1.00 0.00 O ATOM 722 CB TRP A 45 4.141 -19.960 10.894 1.00 0.00 C ATOM 723 CG TRP A 45 3.283 -20.797 9.995 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.156 -22.157 10.016 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.435 -20.329 8.940 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.280 -22.562 9.038 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.823 -21.460 8.365 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.131 -19.066 8.428 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.928 -21.363 7.303 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.243 -18.970 7.374 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.649 -20.113 6.821 1.00 0.00 C ATOM 0 H TRP A 45 4.400 -20.994 13.299 1.00 0.00 H new ATOM 0 HA TRP A 45 5.727 -21.397 10.690 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.536 -19.594 11.724 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.488 -19.086 10.343 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.669 -22.817 10.700 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.013 -23.527 8.844 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.582 -18.180 8.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.470 -22.243 6.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.002 -17.998 6.969 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.042 -20.005 5.998 1.00 0.00 H new ATOM 742 N TRP A 46 7.482 -19.667 10.958 1.00 0.00 N ATOM 743 CA TRP A 46 8.606 -18.765 11.182 1.00 0.00 C ATOM 744 C TRP A 46 8.332 -17.393 10.576 1.00 0.00 C ATOM 745 O TRP A 46 8.179 -17.259 9.363 1.00 0.00 O ATOM 746 CB TRP A 46 9.885 -19.353 10.584 1.00 0.00 C ATOM 747 CG TRP A 46 10.417 -20.523 11.355 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.813 -21.736 11.524 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.661 -20.590 12.061 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.606 -22.553 12.294 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.746 -21.873 12.635 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.712 -19.691 12.263 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.839 -22.277 13.397 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.796 -20.093 13.020 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.853 -21.376 13.579 1.00 0.00 C ATOM 0 H TRP A 46 7.556 -20.231 10.111 1.00 0.00 H new ATOM 0 HA TRP A 46 8.736 -18.647 12.258 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.689 -19.662 9.557 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.649 -18.576 10.543 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.853 -22.013 11.113 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.382 -23.510 12.567 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.678 -18.700 11.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.885 -23.266 13.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.613 -19.406 13.183 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.714 -21.660 14.165 1.00 0.00 H new ATOM 766 N ALA A 47 8.270 -16.376 11.430 1.00 0.00 N ATOM 767 CA ALA A 47 8.016 -15.013 10.978 1.00 0.00 C ATOM 768 C ALA A 47 9.164 -14.085 11.362 1.00 0.00 C ATOM 769 O ALA A 47 9.885 -14.338 12.327 1.00 0.00 O ATOM 770 CB ALA A 47 6.705 -14.501 11.555 1.00 0.00 C ATOM 0 H ALA A 47 8.392 -16.470 12.438 1.00 0.00 H new ATOM 0 HA ALA A 47 7.941 -15.025 9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.528 -13.483 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.888 -15.143 11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.758 -14.510 12.644 1.00 0.00 H new ATOM 776 N THR A 48 9.328 -13.009 10.599 1.00 0.00 N ATOM 777 CA THR A 48 10.389 -12.043 10.858 1.00 0.00 C ATOM 778 C THR A 48 9.837 -10.624 10.926 1.00 0.00 C ATOM 779 O THR A 48 9.187 -10.155 9.991 1.00 0.00 O ATOM 780 CB THR A 48 11.482 -12.105 9.774 1.00 0.00 C ATOM 781 OG1 THR A 48 11.958 -13.449 9.634 1.00 0.00 O ATOM 782 CG2 THR A 48 12.642 -11.185 10.123 1.00 0.00 C ATOM 0 H THR A 48 8.740 -12.784 9.797 1.00 0.00 H new ATOM 0 HA THR A 48 10.827 -12.306 11.821 1.00 0.00 H new ATOM 0 HB THR A 48 11.047 -11.774 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.651 -13.480 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.402 -11.245 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.282 -10.159 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.075 -11.490 11.076 1.00 0.00 H new ATOM 790 N LEU A 49 10.100 -9.945 12.037 1.00 0.00 N ATOM 791 CA LEU A 49 9.629 -8.577 12.226 1.00 0.00 C ATOM 792 C LEU A 49 10.528 -7.585 11.496 1.00 0.00 C ATOM 793 O LEU A 49 11.717 -7.470 11.797 1.00 0.00 O ATOM 794 CB LEU A 49 9.579 -8.236 13.717 1.00 0.00 C ATOM 795 CG LEU A 49 8.195 -7.931 14.290 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.720 -6.559 13.836 1.00 0.00 C ATOM 797 CD2 LEU A 49 7.199 -9.005 13.878 1.00 0.00 C ATOM 0 H LEU A 49 10.636 -10.319 12.820 1.00 0.00 H new ATOM 0 HA LEU A 49 8.625 -8.504 11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.005 -9.070 14.274 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.221 -7.373 13.894 1.00 0.00 H new ATOM 0 HG LEU A 49 8.266 -7.927 15.378 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.733 -6.359 14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.421 -5.799 14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.665 -6.535 12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.219 -8.772 14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.132 -9.041 12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.532 -9.973 14.253 1.00 0.00 H new ATOM 809 N LEU A 50 9.953 -6.870 10.535 1.00 0.00 N ATOM 810 CA LEU A 50 10.702 -5.885 9.762 1.00 0.00 C ATOM 811 C LEU A 50 10.210 -4.472 10.057 1.00 0.00 C ATOM 812 O LEU A 50 9.113 -4.284 10.583 1.00 0.00 O ATOM 813 CB LEU A 50 10.576 -6.180 8.266 1.00 0.00 C ATOM 814 CG LEU A 50 10.203 -7.615 7.893 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.018 -7.745 6.389 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.263 -8.588 8.388 1.00 0.00 C ATOM 0 H LEU A 50 8.971 -6.954 10.273 1.00 0.00 H new ATOM 0 HA LEU A 50 11.750 -5.952 10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.826 -5.510 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.524 -5.936 7.787 1.00 0.00 H new ATOM 0 HG LEU A 50 9.258 -7.862 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.753 -8.773 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.222 -7.076 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.946 -7.479 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.981 -9.604 8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.223 -8.343 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.346 -8.515 9.472 1.00 0.00 H new ATOM 828 N ASP A 51 11.027 -3.483 9.713 1.00 0.00 N ATOM 829 CA ASP A 51 10.673 -2.086 9.938 1.00 0.00 C ATOM 830 C ASP A 51 9.708 -1.591 8.866 1.00 0.00 C ATOM 831 O ASP A 51 9.346 -2.332 7.953 1.00 0.00 O ATOM 832 CB ASP A 51 11.930 -1.215 9.952 1.00 0.00 C ATOM 833 CG ASP A 51 11.815 -0.048 10.912 1.00 0.00 C ATOM 834 OD1 ASP A 51 11.390 -0.267 12.065 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.152 1.085 10.510 1.00 0.00 O ATOM 0 H ASP A 51 11.939 -3.622 9.277 1.00 0.00 H new ATOM 0 HA ASP A 51 10.180 -2.013 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.789 -1.826 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.118 -0.838 8.947 1.00 0.00 H new ATOM 840 N GLU A 52 9.294 -0.333 8.985 1.00 0.00 N ATOM 841 CA GLU A 52 8.368 0.260 8.027 1.00 0.00 C ATOM 842 C GLU A 52 8.936 0.196 6.611 1.00 0.00 C ATOM 843 O GLU A 52 8.192 0.088 5.637 1.00 0.00 O ATOM 844 CB GLU A 52 8.071 1.713 8.403 1.00 0.00 C ATOM 845 CG GLU A 52 9.272 2.634 8.272 1.00 0.00 C ATOM 846 CD GLU A 52 8.992 4.034 8.783 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.196 4.276 9.991 1.00 0.00 O ATOM 848 OE2 GLU A 52 8.569 4.887 7.975 1.00 0.00 O ATOM 0 H GLU A 52 9.585 0.294 9.735 1.00 0.00 H new ATOM 0 HA GLU A 52 7.441 -0.312 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.267 2.086 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.709 1.747 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.111 2.211 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.572 2.687 7.226 1.00 0.00 H new ATOM 855 N ALA A 53 10.259 0.265 6.507 1.00 0.00 N ATOM 856 CA ALA A 53 10.927 0.213 5.213 1.00 0.00 C ATOM 857 C ALA A 53 11.005 -1.218 4.692 1.00 0.00 C ATOM 858 O ALA A 53 11.220 -1.445 3.502 1.00 0.00 O ATOM 859 CB ALA A 53 12.320 0.817 5.313 1.00 0.00 C ATOM 0 H ALA A 53 10.889 0.357 7.304 1.00 0.00 H new ATOM 0 HA ALA A 53 10.339 0.798 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.807 0.771 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.244 1.856 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.908 0.257 6.040 1.00 0.00 H new ATOM 865 N GLY A 54 10.829 -2.181 5.591 1.00 0.00 N ATOM 866 CA GLY A 54 10.884 -3.578 5.203 1.00 0.00 C ATOM 867 C GLY A 54 12.128 -4.275 5.719 1.00 0.00 C ATOM 868 O GLY A 54 12.228 -5.500 5.668 1.00 0.00 O ATOM 0 H GLY A 54 10.649 -2.018 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.000 -4.092 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.855 -3.651 4.116 1.00 0.00 H new ATOM 872 N GLY A 55 13.080 -3.491 6.216 1.00 0.00 N ATOM 873 CA GLY A 55 14.312 -4.058 6.734 1.00 0.00 C ATOM 874 C GLY A 55 14.086 -4.901 7.973 1.00 0.00 C ATOM 875 O GLY A 55 13.487 -4.441 8.945 1.00 0.00 O ATOM 0 H GLY A 55 13.020 -2.474 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.779 -4.670 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.009 -3.253 6.968 1.00 0.00 H new ATOM 879 N ALA A 56 14.564 -6.141 7.938 1.00 0.00 N ATOM 880 CA ALA A 56 14.411 -7.051 9.067 1.00 0.00 C ATOM 881 C ALA A 56 14.883 -6.401 10.363 1.00 0.00 C ATOM 882 O ALA A 56 15.727 -5.505 10.349 1.00 0.00 O ATOM 883 CB ALA A 56 15.175 -8.341 8.812 1.00 0.00 C ATOM 0 H ALA A 56 15.060 -6.538 7.140 1.00 0.00 H new ATOM 0 HA ALA A 56 13.352 -7.285 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.052 -9.011 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.788 -8.821 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.233 -8.117 8.677 1.00 0.00 H new ATOM 889 N VAL A 57 14.332 -6.858 11.483 1.00 0.00 N ATOM 890 CA VAL A 57 14.697 -6.322 12.789 1.00 0.00 C ATOM 891 C VAL A 57 14.675 -7.410 13.856 1.00 0.00 C ATOM 892 O VAL A 57 15.714 -7.781 14.401 1.00 0.00 O ATOM 893 CB VAL A 57 13.751 -5.183 13.213 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.266 -4.501 14.471 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.585 -4.180 12.081 1.00 0.00 C ATOM 0 H VAL A 57 13.631 -7.598 11.512 1.00 0.00 H new ATOM 0 HA VAL A 57 15.709 -5.928 12.697 1.00 0.00 H new ATOM 0 HB VAL A 57 12.773 -5.610 13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.585 -3.699 14.755 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.328 -5.229 15.280 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.256 -4.086 14.281 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.913 -3.382 12.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.556 -3.757 11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.166 -4.682 11.209 1.00 0.00 H new ATOM 905 N ALA A 58 13.483 -7.919 14.150 1.00 0.00 N ATOM 906 CA ALA A 58 13.324 -8.967 15.150 1.00 0.00 C ATOM 907 C ALA A 58 12.983 -10.302 14.497 1.00 0.00 C ATOM 908 O ALA A 58 12.454 -10.342 13.386 1.00 0.00 O ATOM 909 CB ALA A 58 12.251 -8.579 16.156 1.00 0.00 C ATOM 0 H ALA A 58 12.613 -7.622 13.709 1.00 0.00 H new ATOM 0 HA ALA A 58 14.273 -9.081 15.674 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.143 -9.371 16.897 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.537 -7.653 16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.302 -8.435 15.639 1.00 0.00 H new ATOM 915 N GLN A 59 13.289 -11.392 15.194 1.00 0.00 N ATOM 916 CA GLN A 59 13.015 -12.729 14.679 1.00 0.00 C ATOM 917 C GLN A 59 12.280 -13.571 15.717 1.00 0.00 C ATOM 918 O GLN A 59 12.577 -13.503 16.909 1.00 0.00 O ATOM 919 CB GLN A 59 14.318 -13.419 14.274 1.00 0.00 C ATOM 920 CG GLN A 59 15.231 -12.548 13.427 1.00 0.00 C ATOM 921 CD GLN A 59 16.084 -13.355 12.469 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.686 -13.616 11.334 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.267 -13.755 12.922 1.00 0.00 N ATOM 0 H GLN A 59 13.726 -11.376 16.115 1.00 0.00 H new ATOM 0 HA GLN A 59 12.377 -12.630 13.801 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.853 -13.724 15.174 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.081 -14.328 13.721 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.627 -11.839 12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.879 -11.964 14.081 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.557 -13.516 13.870 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.885 -14.301 12.322 1.00 0.00 H new ATOM 932 N GLY A 60 11.319 -14.365 15.255 1.00 0.00 N ATOM 933 CA GLY A 60 10.557 -15.209 16.157 1.00 0.00 C ATOM 934 C GLY A 60 9.483 -16.002 15.439 1.00 0.00 C ATOM 935 O GLY A 60 8.959 -15.565 14.414 1.00 0.00 O ATOM 0 H GLY A 60 11.055 -14.439 14.273 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.233 -15.896 16.665 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.095 -14.590 16.926 1.00 0.00 H new ATOM 939 N TYR A 61 9.154 -17.172 15.977 1.00 0.00 N ATOM 940 CA TYR A 61 8.139 -18.030 15.379 1.00 0.00 C ATOM 941 C TYR A 61 6.857 -18.015 16.206 1.00 0.00 C ATOM 942 O TYR A 61 6.898 -18.014 17.437 1.00 0.00 O ATOM 943 CB TYR A 61 8.661 -19.462 15.253 1.00 0.00 C ATOM 944 CG TYR A 61 9.083 -20.071 16.571 1.00 0.00 C ATOM 945 CD1 TYR A 61 8.147 -20.629 17.433 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.418 -20.086 16.955 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.528 -21.185 18.639 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.809 -20.642 18.158 1.00 0.00 C ATOM 949 CZ TYR A 61 9.860 -21.190 18.996 1.00 0.00 C ATOM 950 OH TYR A 61 10.245 -21.743 20.196 1.00 0.00 O ATOM 0 H TYR A 61 9.576 -17.547 16.826 1.00 0.00 H new ATOM 0 HA TYR A 61 7.913 -17.644 14.385 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.886 -20.084 14.807 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.510 -19.471 14.570 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.103 -20.628 17.155 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.163 -19.656 16.302 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.787 -21.613 19.298 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.851 -20.648 18.441 1.00 0.00 H new ATOM 0 HH TYR A 61 11.215 -21.884 20.195 1.00 0.00 H new ATOM 960 N VAL A 62 5.718 -18.003 15.521 1.00 0.00 N ATOM 961 CA VAL A 62 4.423 -17.989 16.190 1.00 0.00 C ATOM 962 C VAL A 62 3.357 -18.669 15.338 1.00 0.00 C ATOM 963 O VAL A 62 3.470 -18.762 14.115 1.00 0.00 O ATOM 964 CB VAL A 62 3.971 -16.552 16.509 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.703 -16.020 17.731 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.193 -15.645 15.308 1.00 0.00 C ATOM 0 H VAL A 62 5.666 -18.003 14.502 1.00 0.00 H new ATOM 0 HA VAL A 62 4.543 -18.539 17.123 1.00 0.00 H new ATOM 0 HB VAL A 62 2.904 -16.567 16.733 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.370 -15.003 17.941 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.488 -16.656 18.589 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.776 -16.018 17.540 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.868 -14.633 15.551 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.252 -15.634 15.051 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.618 -16.017 14.460 1.00 0.00 H new ATOM 976 N PRO A 63 2.294 -19.155 15.996 1.00 0.00 N ATOM 977 CA PRO A 63 1.185 -19.833 15.319 1.00 0.00 C ATOM 978 C PRO A 63 0.349 -18.877 14.476 1.00 0.00 C ATOM 979 O PRO A 63 0.268 -17.684 14.768 1.00 0.00 O ATOM 980 CB PRO A 63 0.354 -20.395 16.475 1.00 0.00 C ATOM 981 CG PRO A 63 0.662 -19.506 17.630 1.00 0.00 C ATOM 982 CD PRO A 63 2.093 -19.079 17.453 1.00 0.00 C ATOM 0 HA PRO A 63 1.537 -20.593 14.621 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.710 -20.384 16.240 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.622 -21.430 16.689 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.004 -18.643 17.647 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.526 -20.032 18.575 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.261 -18.070 17.830 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.778 -19.737 17.988 1.00 0.00 H new ATOM 990 N HIS A 64 -0.273 -19.409 13.428 1.00 0.00 N ATOM 991 CA HIS A 64 -1.105 -18.601 12.543 1.00 0.00 C ATOM 992 C HIS A 64 -2.237 -17.935 13.319 1.00 0.00 C ATOM 993 O HIS A 64 -2.796 -16.931 12.880 1.00 0.00 O ATOM 994 CB HIS A 64 -1.681 -19.466 11.420 1.00 0.00 C ATOM 995 CG HIS A 64 -2.568 -18.712 10.479 1.00 0.00 C ATOM 996 ND1 HIS A 64 -3.926 -18.934 10.383 1.00 0.00 N ATOM 997 CD2 HIS A 64 -2.285 -17.733 9.588 1.00 0.00 C ATOM 998 CE1 HIS A 64 -4.439 -18.125 9.474 1.00 0.00 C ATOM 999 NE2 HIS A 64 -3.464 -17.385 8.976 1.00 0.00 N ATOM 0 H HIS A 64 -0.217 -20.395 13.171 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.479 -17.822 12.108 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.860 -19.909 10.856 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.246 -20.288 11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.312 -17.305 9.394 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.479 -18.076 9.186 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.570 -16.672 8.255 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.570 -18.502 14.474 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.636 -17.964 15.311 1.00 0.00 C ATOM 1009 C ASN A 65 -3.146 -16.759 16.108 1.00 0.00 C ATOM 1010 O ASN A 65 -3.915 -16.126 16.832 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.159 -19.041 16.263 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.576 -18.764 16.728 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.824 -18.574 17.919 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.513 -18.740 15.787 1.00 0.00 N ATOM 0 H ASN A 65 -2.117 -19.334 14.852 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.447 -17.641 14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.126 -20.010 15.764 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.501 -19.106 17.130 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.485 -18.559 16.039 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.261 -18.903 14.812 1.00 0.00 H new ATOM 1021 N TYR A 66 -1.862 -16.448 15.970 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.269 -15.320 16.678 1.00 0.00 C ATOM 1023 C TYR A 66 -1.292 -14.061 15.816 1.00 0.00 C ATOM 1024 O TYR A 66 -1.484 -12.953 16.319 1.00 0.00 O ATOM 1025 CB TYR A 66 0.169 -15.646 17.085 1.00 0.00 C ATOM 1026 CG TYR A 66 0.593 -14.999 18.384 1.00 0.00 C ATOM 1027 CD1 TYR A 66 0.000 -15.359 19.588 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.586 -14.028 18.408 1.00 0.00 C ATOM 1029 CE1 TYR A 66 0.383 -14.770 20.777 1.00 0.00 C ATOM 1030 CE2 TYR A 66 1.977 -13.435 19.593 1.00 0.00 C ATOM 1031 CZ TYR A 66 1.372 -13.808 20.774 1.00 0.00 C ATOM 1032 OH TYR A 66 1.758 -13.220 21.957 1.00 0.00 O ATOM 0 H TYR A 66 -1.212 -16.961 15.374 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.861 -15.135 17.574 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.276 -16.727 17.176 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.844 -15.325 16.292 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.774 -16.112 19.594 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.061 -13.731 17.484 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.089 -15.061 21.704 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.752 -12.683 19.594 1.00 0.00 H new ATOM 0 HH TYR A 66 1.048 -12.622 22.272 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.096 -14.240 14.514 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.096 -13.120 13.580 1.00 0.00 C ATOM 1044 C LEU A 67 -2.166 -13.304 12.509 1.00 0.00 C ATOM 1045 O LEU A 67 -2.650 -14.413 12.285 1.00 0.00 O ATOM 1046 CB LEU A 67 0.279 -12.979 12.924 1.00 0.00 C ATOM 1047 CG LEU A 67 0.882 -14.260 12.345 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.440 -14.453 10.902 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.400 -14.225 12.439 1.00 0.00 C ATOM 0 H LEU A 67 -0.935 -15.150 14.082 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.321 -12.212 14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.204 -12.243 12.124 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.972 -12.577 13.663 1.00 0.00 H new ATOM 0 HG LEU A 67 0.521 -15.106 12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.879 -15.369 10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.647 -14.524 10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.771 -13.604 10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.812 -15.144 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.780 -13.371 11.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.698 -14.135 13.484 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.529 -12.210 11.849 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.539 -12.251 10.798 1.00 0.00 C ATOM 1063 C ALA A 68 -2.963 -11.788 9.464 1.00 0.00 C ATOM 1064 O ALA A 68 -2.087 -10.924 9.423 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.737 -11.395 11.183 1.00 0.00 C ATOM 0 H ALA A 68 -2.139 -11.284 12.023 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.866 -13.284 10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.483 -11.435 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.172 -11.773 12.109 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.416 -10.363 11.327 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.460 -12.369 8.377 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.992 -12.016 7.041 1.00 0.00 C ATOM 1073 C GLU A 69 -3.741 -10.799 6.507 1.00 0.00 C ATOM 1074 O GLU A 69 -4.917 -10.598 6.809 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.169 -13.198 6.086 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.620 -13.595 5.872 1.00 0.00 C ATOM 1077 CD GLU A 69 -5.088 -14.648 6.858 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.681 -15.819 6.715 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.862 -14.298 7.774 1.00 0.00 O ATOM 0 H GLU A 69 -4.186 -13.085 8.395 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.933 -11.768 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.724 -12.946 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.620 -14.055 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.252 -12.711 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.744 -13.972 4.857 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.050 -9.989 5.711 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.648 -8.791 5.135 1.00 0.00 C ATOM 1088 C ARG A 70 -3.540 -8.807 3.613 1.00 0.00 C ATOM 1089 O ARG A 70 -3.424 -7.759 2.979 1.00 0.00 O ATOM 1090 CB ARG A 70 -2.968 -7.538 5.692 1.00 0.00 C ATOM 1091 CG ARG A 70 -1.473 -7.702 5.908 1.00 0.00 C ATOM 1092 CD ARG A 70 -0.858 -6.450 6.514 1.00 0.00 C ATOM 1093 NE ARG A 70 0.247 -5.938 5.707 1.00 0.00 N ATOM 1094 CZ ARG A 70 0.080 -5.192 4.621 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -1.140 -4.873 4.213 1.00 0.00 N ATOM 1096 NH2 ARG A 70 1.136 -4.764 3.940 1.00 0.00 N ATOM 0 H ARG A 70 -2.076 -10.141 5.451 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.703 -8.775 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.139 -6.707 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.436 -7.271 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.290 -8.553 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.989 -7.923 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.624 -5.680 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.500 -6.672 7.519 1.00 0.00 H new ATOM 0 HE ARG A 70 1.199 -6.166 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.954 -5.201 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.265 -4.300 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.076 -5.008 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.007 -4.191 3.106 1.00 0.00 H new