USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 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= -0.0358 (180deg=-0.412) USER MOD Single : A 21 SER OG : rot -7:sc= 0.106 USER MOD Single : A 23 THR OG1 : rot 180:sc=0.000618 USER MOD Single : A 28 SER OG : rot 43:sc= 1.12 USER MOD Single : A 36 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.49) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.5) USER MOD Single : A 61 TYR OH : rot -4:sc= -0.355 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 66 TYR OH : rot 107:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 2.403 -8.728 3.070 1.00 0.00 N ATOM 166 CA LYS A 12 2.684 -8.509 4.484 1.00 0.00 C ATOM 167 C LYS A 12 1.631 -9.182 5.359 1.00 0.00 C ATOM 168 O LYS A 12 0.541 -9.512 4.892 1.00 0.00 O ATOM 169 CB LYS A 12 2.735 -7.011 4.790 1.00 0.00 C ATOM 170 CG LYS A 12 4.120 -6.406 4.644 1.00 0.00 C ATOM 171 CD LYS A 12 4.623 -6.501 3.213 1.00 0.00 C ATOM 172 CE LYS A 12 5.982 -5.836 3.055 1.00 0.00 C ATOM 173 NZ LYS A 12 6.372 -5.706 1.623 1.00 0.00 N ATOM 0 HA LYS A 12 3.654 -8.952 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.048 -6.489 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.381 -6.844 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.096 -5.361 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.814 -6.919 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.693 -7.548 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.905 -6.029 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.959 -4.849 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.735 -6.418 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.304 -5.248 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.418 -6.650 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.667 -5.129 1.122 1.00 0.00 H new ATOM 187 N TYR A 13 1.964 -9.382 6.629 1.00 0.00 N ATOM 188 CA TYR A 13 1.047 -10.016 7.569 1.00 0.00 C ATOM 189 C TYR A 13 0.816 -9.129 8.788 1.00 0.00 C ATOM 190 O TYR A 13 1.673 -8.326 9.157 1.00 0.00 O ATOM 191 CB TYR A 13 1.593 -11.375 8.009 1.00 0.00 C ATOM 192 CG TYR A 13 1.531 -12.431 6.928 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.353 -12.358 5.810 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.651 -13.501 7.025 1.00 0.00 C ATOM 195 CE1 TYR A 13 2.300 -13.320 4.820 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.592 -14.469 6.040 1.00 0.00 C ATOM 197 CZ TYR A 13 1.418 -14.373 4.940 1.00 0.00 C ATOM 198 OH TYR A 13 1.361 -15.334 3.957 1.00 0.00 O ATOM 0 H TYR A 13 2.862 -9.114 7.032 1.00 0.00 H new ATOM 0 HA TYR A 13 0.093 -10.162 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.628 -11.255 8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.029 -11.720 8.876 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.045 -11.535 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.002 -13.578 7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.946 -13.248 3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.097 -15.296 6.131 1.00 0.00 H new ATOM 0 HH TYR A 13 0.689 -16.006 4.195 1.00 0.00 H new ATOM 208 N VAL A 14 -0.348 -9.281 9.411 1.00 0.00 N ATOM 209 CA VAL A 14 -0.693 -8.496 10.590 1.00 0.00 C ATOM 210 C VAL A 14 -1.446 -9.340 11.612 1.00 0.00 C ATOM 211 O VAL A 14 -2.275 -10.175 11.252 1.00 0.00 O ATOM 212 CB VAL A 14 -1.551 -7.272 10.219 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.117 -6.617 11.470 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.735 -6.276 9.408 1.00 0.00 C ATOM 0 H VAL A 14 -1.069 -9.941 9.119 1.00 0.00 H new ATOM 0 HA VAL A 14 0.245 -8.153 11.027 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.386 -7.608 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.720 -5.754 11.188 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.738 -7.334 12.007 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.299 -6.293 12.113 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.357 -5.417 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.121 -5.943 9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.384 -6.753 8.493 1.00 0.00 H new ATOM 224 N GLY A 15 -1.153 -9.116 12.889 1.00 0.00 N ATOM 225 CA GLY A 15 -1.812 -9.863 13.944 1.00 0.00 C ATOM 226 C GLY A 15 -0.882 -10.179 15.099 1.00 0.00 C ATOM 227 O GLY A 15 -0.651 -11.346 15.419 1.00 0.00 O ATOM 0 H GLY A 15 -0.471 -8.430 13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.663 -9.291 14.313 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.207 -10.793 13.535 1.00 0.00 H new ATOM 231 N LEU A 16 -0.346 -9.138 15.726 1.00 0.00 N ATOM 232 CA LEU A 16 0.566 -9.309 16.851 1.00 0.00 C ATOM 233 C LEU A 16 0.300 -8.265 17.931 1.00 0.00 C ATOM 234 O LEU A 16 1.041 -7.290 18.061 1.00 0.00 O ATOM 235 CB LEU A 16 2.017 -9.211 16.377 1.00 0.00 C ATOM 236 CG LEU A 16 2.476 -10.289 15.395 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.904 -10.026 14.943 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.360 -11.669 16.024 1.00 0.00 C ATOM 0 H LEU A 16 -0.527 -8.166 15.474 1.00 0.00 H new ATOM 0 HA LEU A 16 0.396 -10.298 17.277 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.161 -8.237 15.909 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.667 -9.244 17.251 1.00 0.00 H new ATOM 0 HG LEU A 16 1.827 -10.255 14.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.214 -10.803 14.244 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.957 -9.055 14.452 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.566 -10.031 15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.691 -12.423 15.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.984 -11.716 16.917 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.322 -11.858 16.297 1.00 0.00 H new ATOM 250 N TRP A 17 -0.759 -8.477 18.704 1.00 0.00 N ATOM 251 CA TRP A 17 -1.121 -7.555 19.774 1.00 0.00 C ATOM 252 C TRP A 17 0.097 -7.199 20.621 1.00 0.00 C ATOM 253 O TRP A 17 1.119 -7.883 20.573 1.00 0.00 O ATOM 254 CB TRP A 17 -2.209 -8.168 20.657 1.00 0.00 C ATOM 255 CG TRP A 17 -2.995 -7.149 21.425 1.00 0.00 C ATOM 256 CD1 TRP A 17 -2.869 -6.844 22.750 1.00 0.00 C ATOM 257 CD2 TRP A 17 -4.030 -6.302 20.913 1.00 0.00 C ATOM 258 NE1 TRP A 17 -3.764 -5.859 23.093 1.00 0.00 N ATOM 259 CE2 TRP A 17 -4.487 -5.508 21.984 1.00 0.00 C ATOM 260 CE3 TRP A 17 -4.614 -6.135 19.654 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -5.500 -4.565 21.832 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -5.620 -5.199 19.506 1.00 0.00 C ATOM 263 CH2 TRP A 17 -6.054 -4.423 20.589 1.00 0.00 C ATOM 0 H TRP A 17 -1.382 -9.279 18.610 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.504 -6.642 19.319 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.890 -8.747 20.033 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.749 -8.865 21.358 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -2.169 -7.308 23.429 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -3.872 -5.455 24.023 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.285 -6.727 18.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -5.837 -3.967 22.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.080 -5.063 18.538 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.841 -3.699 20.440 1.00 0.00 H new ATOM 274 N ASP A 18 -0.020 -6.125 21.394 1.00 0.00 N ATOM 275 CA ASP A 18 1.072 -5.679 22.252 1.00 0.00 C ATOM 276 C ASP A 18 1.606 -6.832 23.095 1.00 0.00 C ATOM 277 O ASP A 18 0.998 -7.220 24.093 1.00 0.00 O ATOM 278 CB ASP A 18 0.602 -4.542 23.161 1.00 0.00 C ATOM 279 CG ASP A 18 1.395 -3.267 22.950 1.00 0.00 C ATOM 280 OD1 ASP A 18 2.532 -3.185 23.459 1.00 0.00 O ATOM 281 OD2 ASP A 18 0.878 -2.351 22.276 1.00 0.00 O ATOM 0 H ASP A 18 -0.859 -5.547 21.444 1.00 0.00 H new ATOM 0 HA ASP A 18 1.878 -5.315 21.614 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.454 -4.345 22.975 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.690 -4.853 24.202 1.00 0.00 H new ATOM 286 N PHE A 19 2.747 -7.378 22.686 1.00 0.00 N ATOM 287 CA PHE A 19 3.363 -8.489 23.403 1.00 0.00 C ATOM 288 C PHE A 19 4.883 -8.436 23.285 1.00 0.00 C ATOM 289 O PHE A 19 5.435 -8.487 22.186 1.00 0.00 O ATOM 290 CB PHE A 19 2.844 -9.823 22.861 1.00 0.00 C ATOM 291 CG PHE A 19 2.809 -10.916 23.891 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.948 -11.246 24.608 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.638 -11.612 24.142 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.918 -12.251 25.556 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.603 -12.619 25.088 1.00 0.00 C ATOM 296 CZ PHE A 19 2.744 -12.938 25.797 1.00 0.00 C ATOM 0 H PHE A 19 3.263 -7.069 21.862 1.00 0.00 H new ATOM 0 HA PHE A 19 3.095 -8.403 24.456 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.840 -9.678 22.462 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.475 -10.138 22.030 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.869 -10.712 24.424 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.742 -11.365 23.592 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.812 -12.499 26.108 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.684 -13.156 25.272 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.719 -13.723 26.538 1.00 0.00 H new ATOM 306 N LYS A 20 5.555 -8.333 24.426 1.00 0.00 N ATOM 307 CA LYS A 20 7.012 -8.273 24.454 1.00 0.00 C ATOM 308 C LYS A 20 7.588 -9.426 25.270 1.00 0.00 C ATOM 309 O LYS A 20 7.604 -9.382 26.500 1.00 0.00 O ATOM 310 CB LYS A 20 7.477 -6.938 25.040 1.00 0.00 C ATOM 311 CG LYS A 20 6.777 -5.732 24.437 1.00 0.00 C ATOM 312 CD LYS A 20 6.967 -5.673 22.931 1.00 0.00 C ATOM 313 CE LYS A 20 7.452 -4.302 22.484 1.00 0.00 C ATOM 314 NZ LYS A 20 6.546 -3.215 22.950 1.00 0.00 N ATOM 0 H LYS A 20 5.114 -8.289 25.345 1.00 0.00 H new ATOM 0 HA LYS A 20 7.374 -8.359 23.429 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.308 -6.945 26.117 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.552 -6.838 24.887 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.713 -5.774 24.669 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.166 -4.820 24.890 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.686 -6.432 22.624 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.025 -5.907 22.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.456 -4.128 22.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.520 -4.277 21.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.610 -2.407 22.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.567 -3.565 22.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.828 -2.913 23.904 1.00 0.00 H new ATOM 328 N SER A 21 8.062 -10.456 24.577 1.00 0.00 N ATOM 329 CA SER A 21 8.637 -11.622 25.237 1.00 0.00 C ATOM 330 C SER A 21 10.160 -11.539 25.257 1.00 0.00 C ATOM 331 O SER A 21 10.814 -12.132 26.115 1.00 0.00 O ATOM 332 CB SER A 21 8.194 -12.905 24.530 1.00 0.00 C ATOM 333 OG SER A 21 6.782 -13.022 24.524 1.00 0.00 O ATOM 0 H SER A 21 8.059 -10.507 23.558 1.00 0.00 H new ATOM 0 HA SER A 21 8.278 -11.640 26.266 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.567 -12.907 23.506 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.632 -13.769 25.030 1.00 0.00 H new ATOM 0 HG SER A 21 6.392 -12.306 25.068 1.00 0.00 H new ATOM 339 N ARG A 22 10.719 -10.799 24.304 1.00 0.00 N ATOM 340 CA ARG A 22 12.165 -10.638 24.211 1.00 0.00 C ATOM 341 C ARG A 22 12.856 -11.993 24.091 1.00 0.00 C ATOM 342 O ARG A 22 14.028 -12.139 24.440 1.00 0.00 O ATOM 343 CB ARG A 22 12.696 -9.889 25.434 1.00 0.00 C ATOM 344 CG ARG A 22 11.836 -8.705 25.844 1.00 0.00 C ATOM 345 CD ARG A 22 11.817 -7.632 24.767 1.00 0.00 C ATOM 346 NE ARG A 22 13.159 -7.305 24.296 1.00 0.00 N ATOM 347 CZ ARG A 22 13.985 -6.486 24.938 1.00 0.00 C ATOM 348 NH1 ARG A 22 13.608 -5.915 26.073 1.00 0.00 N ATOM 349 NH2 ARG A 22 15.192 -6.238 24.445 1.00 0.00 N ATOM 0 H ARG A 22 10.192 -10.302 23.586 1.00 0.00 H new ATOM 0 HA ARG A 22 12.384 -10.057 23.315 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.767 -10.583 26.272 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.706 -9.538 25.224 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.819 -9.043 26.040 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.216 -8.282 26.774 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.211 -7.972 23.927 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.342 -6.733 25.159 1.00 0.00 H new ATOM 0 HE ARG A 22 13.481 -7.729 23.426 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.682 -6.104 26.456 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.244 -5.287 26.564 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.486 -6.676 23.572 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.825 -5.609 24.939 1.00 0.00 H new ATOM 363 N THR A 23 12.121 -12.985 23.594 1.00 0.00 N ATOM 364 CA THR A 23 12.662 -14.328 23.430 1.00 0.00 C ATOM 365 C THR A 23 12.684 -14.735 21.961 1.00 0.00 C ATOM 366 O THR A 23 12.105 -14.059 21.111 1.00 0.00 O ATOM 367 CB THR A 23 11.846 -15.363 24.226 1.00 0.00 C ATOM 368 OG1 THR A 23 10.473 -15.323 23.820 1.00 0.00 O ATOM 369 CG2 THR A 23 11.946 -15.098 25.720 1.00 0.00 C ATOM 0 H THR A 23 11.150 -12.882 23.299 1.00 0.00 H new ATOM 0 HA THR A 23 13.682 -14.308 23.814 1.00 0.00 H new ATOM 0 HB THR A 23 12.256 -16.352 24.020 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.962 -15.985 24.330 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.361 -15.842 26.261 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.989 -15.159 26.031 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.559 -14.103 25.940 1.00 0.00 H new ATOM 377 N ASP A 24 13.355 -15.844 21.670 1.00 0.00 N ATOM 378 CA ASP A 24 13.451 -16.343 20.303 1.00 0.00 C ATOM 379 C ASP A 24 12.124 -16.943 19.849 1.00 0.00 C ATOM 380 O ASP A 24 11.879 -17.098 18.653 1.00 0.00 O ATOM 381 CB ASP A 24 14.561 -17.389 20.196 1.00 0.00 C ATOM 382 CG ASP A 24 14.492 -18.423 21.303 1.00 0.00 C ATOM 383 OD1 ASP A 24 13.582 -19.277 21.260 1.00 0.00 O ATOM 384 OD2 ASP A 24 15.346 -18.377 22.213 1.00 0.00 O ATOM 0 H ASP A 24 13.840 -16.415 22.362 1.00 0.00 H new ATOM 0 HA ASP A 24 13.691 -15.502 19.652 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.492 -17.890 19.230 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.530 -16.891 20.228 1.00 0.00 H new ATOM 389 N GLU A 25 11.272 -17.279 20.812 1.00 0.00 N ATOM 390 CA GLU A 25 9.971 -17.864 20.511 1.00 0.00 C ATOM 391 C GLU A 25 8.984 -16.791 20.059 1.00 0.00 C ATOM 392 O GLU A 25 8.436 -16.862 18.959 1.00 0.00 O ATOM 393 CB GLU A 25 9.419 -18.596 21.736 1.00 0.00 C ATOM 394 CG GLU A 25 10.446 -19.472 22.434 1.00 0.00 C ATOM 395 CD GLU A 25 9.829 -20.706 23.063 1.00 0.00 C ATOM 396 OE1 GLU A 25 8.916 -21.294 22.445 1.00 0.00 O ATOM 397 OE2 GLU A 25 10.259 -21.084 24.173 1.00 0.00 O ATOM 0 H GLU A 25 11.459 -17.156 21.807 1.00 0.00 H new ATOM 0 HA GLU A 25 10.102 -18.579 19.699 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.037 -17.862 22.446 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.575 -19.214 21.430 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.207 -19.777 21.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.951 -18.890 23.205 1.00 0.00 H new ATOM 404 N GLU A 26 8.763 -15.799 20.916 1.00 0.00 N ATOM 405 CA GLU A 26 7.841 -14.713 20.606 1.00 0.00 C ATOM 406 C GLU A 26 8.601 -13.452 20.205 1.00 0.00 C ATOM 407 O GLU A 26 9.769 -13.279 20.558 1.00 0.00 O ATOM 408 CB GLU A 26 6.941 -14.419 21.808 1.00 0.00 C ATOM 409 CG GLU A 26 5.678 -15.263 21.843 1.00 0.00 C ATOM 410 CD GLU A 26 4.641 -14.722 22.808 1.00 0.00 C ATOM 411 OE1 GLU A 26 3.873 -13.821 22.409 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.598 -15.198 23.962 1.00 0.00 O ATOM 0 H GLU A 26 9.210 -15.725 21.830 1.00 0.00 H new ATOM 0 HA GLU A 26 7.221 -15.026 19.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.506 -14.588 22.725 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.663 -13.365 21.794 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.248 -15.309 20.842 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.935 -16.284 22.127 1.00 0.00 H new ATOM 419 N LEU A 27 7.932 -12.575 19.466 1.00 0.00 N ATOM 420 CA LEU A 27 8.543 -11.329 19.016 1.00 0.00 C ATOM 421 C LEU A 27 8.175 -10.176 19.944 1.00 0.00 C ATOM 422 O LEU A 27 7.126 -10.194 20.587 1.00 0.00 O ATOM 423 CB LEU A 27 8.103 -11.009 17.587 1.00 0.00 C ATOM 424 CG LEU A 27 8.384 -12.088 16.540 1.00 0.00 C ATOM 425 CD1 LEU A 27 7.218 -13.060 16.449 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.662 -11.456 15.184 1.00 0.00 C ATOM 0 H LEU A 27 6.966 -12.703 19.165 1.00 0.00 H new ATOM 0 HA LEU A 27 9.625 -11.456 19.036 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.032 -10.809 17.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.597 -10.089 17.273 1.00 0.00 H new ATOM 0 HG LEU A 27 9.270 -12.644 16.847 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.436 -13.820 15.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.066 -13.538 17.417 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.315 -12.519 16.166 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.860 -12.239 14.452 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.795 -10.875 14.869 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.530 -10.801 15.259 1.00 0.00 H new ATOM 438 N SER A 28 9.045 -9.173 20.007 1.00 0.00 N ATOM 439 CA SER A 28 8.813 -8.011 20.857 1.00 0.00 C ATOM 440 C SER A 28 8.351 -6.815 20.029 1.00 0.00 C ATOM 441 O SER A 28 9.155 -5.970 19.637 1.00 0.00 O ATOM 442 CB SER A 28 10.085 -7.652 21.627 1.00 0.00 C ATOM 443 OG SER A 28 11.121 -7.257 20.743 1.00 0.00 O ATOM 0 H SER A 28 9.917 -9.142 19.479 1.00 0.00 H new ATOM 0 HA SER A 28 8.027 -8.264 21.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.874 -6.845 22.329 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.412 -8.509 22.216 1.00 0.00 H new ATOM 0 HG SER A 28 10.754 -6.665 20.053 1.00 0.00 H new ATOM 449 N PHE A 29 7.050 -6.752 19.767 1.00 0.00 N ATOM 450 CA PHE A 29 6.480 -5.662 18.985 1.00 0.00 C ATOM 451 C PHE A 29 4.980 -5.537 19.238 1.00 0.00 C ATOM 452 O PHE A 29 4.350 -6.456 19.761 1.00 0.00 O ATOM 453 CB PHE A 29 6.740 -5.885 17.494 1.00 0.00 C ATOM 454 CG PHE A 29 7.893 -5.085 16.960 1.00 0.00 C ATOM 455 CD1 PHE A 29 7.786 -3.713 16.799 1.00 0.00 C ATOM 456 CD2 PHE A 29 9.084 -5.705 16.618 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.846 -2.974 16.308 1.00 0.00 C ATOM 458 CE2 PHE A 29 10.147 -4.971 16.127 1.00 0.00 C ATOM 459 CZ PHE A 29 10.028 -3.604 15.971 1.00 0.00 C ATOM 0 H PHE A 29 6.371 -7.443 20.085 1.00 0.00 H new ATOM 0 HA PHE A 29 6.962 -4.735 19.296 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.932 -6.944 17.321 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.840 -5.629 16.934 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.864 -3.215 17.060 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.183 -6.774 16.736 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.750 -1.905 16.188 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.070 -5.466 15.865 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.857 -3.029 15.586 1.00 0.00 H new ATOM 469 N ARG A 30 4.416 -4.393 18.864 1.00 0.00 N ATOM 470 CA ARG A 30 2.992 -4.146 19.052 1.00 0.00 C ATOM 471 C ARG A 30 2.209 -4.492 17.789 1.00 0.00 C ATOM 472 O ARG A 30 2.791 -4.714 16.728 1.00 0.00 O ATOM 473 CB ARG A 30 2.752 -2.683 19.430 1.00 0.00 C ATOM 474 CG ARG A 30 2.907 -1.720 18.264 1.00 0.00 C ATOM 475 CD ARG A 30 2.595 -0.290 18.677 1.00 0.00 C ATOM 476 NE ARG A 30 2.522 0.608 17.528 1.00 0.00 N ATOM 477 CZ ARG A 30 2.117 1.871 17.607 1.00 0.00 C ATOM 478 NH1 ARG A 30 1.751 2.381 18.775 1.00 0.00 N ATOM 479 NH2 ARG A 30 2.077 2.626 16.517 1.00 0.00 N ATOM 0 H ARG A 30 4.924 -3.623 18.429 1.00 0.00 H new ATOM 0 HA ARG A 30 2.641 -4.785 19.862 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.748 -2.583 19.842 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.450 -2.401 20.219 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.925 -1.775 17.879 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.243 -2.019 17.453 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.648 -0.267 19.216 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.362 0.064 19.366 1.00 0.00 H new ATOM 0 HE ARG A 30 2.797 0.246 16.615 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.780 1.803 19.615 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.440 3.351 18.833 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.357 2.237 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.766 3.595 16.579 1.00 0.00 H new ATOM 493 N ALA A 31 0.886 -4.536 17.912 1.00 0.00 N ATOM 494 CA ALA A 31 0.024 -4.853 16.781 1.00 0.00 C ATOM 495 C ALA A 31 0.061 -3.745 15.734 1.00 0.00 C ATOM 496 O ALA A 31 0.573 -2.655 15.988 1.00 0.00 O ATOM 497 CB ALA A 31 -1.403 -5.087 17.254 1.00 0.00 C ATOM 0 H ALA A 31 0.388 -4.356 18.784 1.00 0.00 H new ATOM 0 HA ALA A 31 0.396 -5.767 16.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.036 -5.323 16.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.421 -5.918 17.959 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.776 -4.188 17.744 1.00 0.00 H new ATOM 503 N GLY A 32 -0.484 -4.031 14.556 1.00 0.00 N ATOM 504 CA GLY A 32 -0.501 -3.048 13.488 1.00 0.00 C ATOM 505 C GLY A 32 0.791 -3.030 12.695 1.00 0.00 C ATOM 506 O GLY A 32 0.906 -2.315 11.700 1.00 0.00 O ATOM 0 H GLY A 32 -0.914 -4.926 14.322 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.333 -3.260 12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.678 -2.059 13.911 1.00 0.00 H new ATOM 510 N ASP A 33 1.765 -3.818 13.137 1.00 0.00 N ATOM 511 CA ASP A 33 3.055 -3.890 12.462 1.00 0.00 C ATOM 512 C ASP A 33 2.998 -4.856 11.282 1.00 0.00 C ATOM 513 O ASP A 33 2.184 -5.779 11.261 1.00 0.00 O ATOM 514 CB ASP A 33 4.144 -4.327 13.443 1.00 0.00 C ATOM 515 CG ASP A 33 4.805 -3.152 14.136 1.00 0.00 C ATOM 516 OD1 ASP A 33 5.232 -2.213 13.434 1.00 0.00 O ATOM 517 OD2 ASP A 33 4.895 -3.172 15.382 1.00 0.00 O ATOM 0 H ASP A 33 1.685 -4.416 13.960 1.00 0.00 H new ATOM 0 HA ASP A 33 3.295 -2.896 12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.710 -4.989 14.192 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.900 -4.902 12.909 1.00 0.00 H new ATOM 522 N VAL A 34 3.868 -4.635 10.301 1.00 0.00 N ATOM 523 CA VAL A 34 3.917 -5.486 9.118 1.00 0.00 C ATOM 524 C VAL A 34 5.108 -6.435 9.172 1.00 0.00 C ATOM 525 O VAL A 34 6.206 -6.048 9.574 1.00 0.00 O ATOM 526 CB VAL A 34 4.000 -4.648 7.828 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.841 -3.665 7.754 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.333 -3.920 7.751 1.00 0.00 C ATOM 0 H VAL A 34 4.548 -3.874 10.302 1.00 0.00 H new ATOM 0 HA VAL A 34 2.995 -6.067 9.107 1.00 0.00 H new ATOM 0 HB VAL A 34 3.929 -5.321 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.916 -3.082 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.899 -4.213 7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.877 -2.995 8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.375 -3.333 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.436 -3.258 8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.145 -4.647 7.754 1.00 0.00 H new ATOM 538 N PHE A 35 4.885 -7.680 8.763 1.00 0.00 N ATOM 539 CA PHE A 35 5.941 -8.686 8.765 1.00 0.00 C ATOM 540 C PHE A 35 5.724 -9.704 7.650 1.00 0.00 C ATOM 541 O PHE A 35 4.640 -9.786 7.071 1.00 0.00 O ATOM 542 CB PHE A 35 5.994 -9.397 10.119 1.00 0.00 C ATOM 543 CG PHE A 35 4.638 -9.720 10.680 1.00 0.00 C ATOM 544 CD1 PHE A 35 3.948 -8.788 11.438 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.054 -10.955 10.448 1.00 0.00 C ATOM 546 CE1 PHE A 35 2.700 -9.082 11.956 1.00 0.00 C ATOM 547 CE2 PHE A 35 2.807 -11.254 10.963 1.00 0.00 C ATOM 548 CZ PHE A 35 2.129 -10.317 11.718 1.00 0.00 C ATOM 0 H PHE A 35 3.983 -8.016 8.426 1.00 0.00 H new ATOM 0 HA PHE A 35 6.891 -8.181 8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.564 -10.320 10.014 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.532 -8.769 10.829 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.390 -7.821 11.627 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.579 -11.692 9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.172 -8.347 12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.363 -12.220 10.775 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.155 -10.549 12.121 1.00 0.00 H new ATOM 558 N HIS A 36 6.762 -10.480 7.355 1.00 0.00 N ATOM 559 CA HIS A 36 6.686 -11.494 6.309 1.00 0.00 C ATOM 560 C HIS A 36 6.991 -12.879 6.872 1.00 0.00 C ATOM 561 O HIS A 36 7.656 -13.009 7.900 1.00 0.00 O ATOM 562 CB HIS A 36 7.660 -11.164 5.177 1.00 0.00 C ATOM 563 CG HIS A 36 7.464 -12.007 3.955 1.00 0.00 C ATOM 564 ND1 HIS A 36 6.230 -12.223 3.379 1.00 0.00 N ATOM 565 CD2 HIS A 36 8.355 -12.687 3.196 1.00 0.00 C ATOM 566 CE1 HIS A 36 6.370 -13.001 2.321 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.651 -13.296 2.187 1.00 0.00 N ATOM 0 H HIS A 36 7.666 -10.426 7.825 1.00 0.00 H new ATOM 0 HA HIS A 36 5.670 -11.498 5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.548 -10.114 4.906 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.681 -11.293 5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.422 -12.741 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.573 -13.339 1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.051 -13.881 1.454 1.00 0.00 H new ATOM 575 N VAL A 37 6.501 -13.910 6.192 1.00 0.00 N ATOM 576 CA VAL A 37 6.721 -15.285 6.624 1.00 0.00 C ATOM 577 C VAL A 37 7.979 -15.866 5.988 1.00 0.00 C ATOM 578 O VAL A 37 8.143 -15.831 4.769 1.00 0.00 O ATOM 579 CB VAL A 37 5.520 -16.183 6.273 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.305 -15.797 7.102 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.210 -16.101 4.786 1.00 0.00 C ATOM 0 H VAL A 37 5.949 -13.819 5.339 1.00 0.00 H new ATOM 0 HA VAL A 37 6.842 -15.261 7.707 1.00 0.00 H new ATOM 0 HB VAL A 37 5.778 -17.215 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.466 -16.442 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.535 -15.913 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.041 -14.759 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.359 -16.742 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.971 -15.071 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.078 -16.431 4.215 1.00 0.00 H new ATOM 591 N ALA A 38 8.865 -16.400 6.822 1.00 0.00 N ATOM 592 CA ALA A 38 10.108 -16.991 6.341 1.00 0.00 C ATOM 593 C ALA A 38 9.940 -18.483 6.076 1.00 0.00 C ATOM 594 O ALA A 38 10.568 -19.037 5.175 1.00 0.00 O ATOM 595 CB ALA A 38 11.228 -16.754 7.344 1.00 0.00 C ATOM 0 H ALA A 38 8.745 -16.436 7.834 1.00 0.00 H new ATOM 0 HA ALA A 38 10.370 -16.509 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.150 -17.201 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.373 -15.682 7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.964 -17.209 8.299 1.00 0.00 H new ATOM 601 N ARG A 39 9.088 -19.127 6.867 1.00 0.00 N ATOM 602 CA ARG A 39 8.839 -20.556 6.719 1.00 0.00 C ATOM 603 C ARG A 39 7.562 -20.964 7.448 1.00 0.00 C ATOM 604 O ARG A 39 7.289 -20.496 8.554 1.00 0.00 O ATOM 605 CB ARG A 39 10.025 -21.361 7.255 1.00 0.00 C ATOM 606 CG ARG A 39 9.971 -22.837 6.897 1.00 0.00 C ATOM 607 CD ARG A 39 10.814 -23.672 7.849 1.00 0.00 C ATOM 608 NE ARG A 39 11.158 -24.971 7.278 1.00 0.00 N ATOM 609 CZ ARG A 39 11.882 -25.885 7.915 1.00 0.00 C ATOM 610 NH1 ARG A 39 12.335 -25.643 9.137 1.00 0.00 N ATOM 611 NH2 ARG A 39 12.154 -27.044 7.329 1.00 0.00 N ATOM 0 H ARG A 39 8.559 -18.682 7.617 1.00 0.00 H new ATOM 0 HA ARG A 39 8.715 -20.769 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.949 -20.935 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.061 -21.260 8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.937 -23.182 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.325 -22.978 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.727 -23.130 8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.270 -23.819 8.782 1.00 0.00 H new ATOM 0 HE ARG A 39 10.824 -25.189 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.128 -24.753 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.891 -26.347 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.807 -27.234 6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.710 -27.745 7.819 1.00 0.00 H new ATOM 625 N LYS A 40 6.783 -21.839 6.822 1.00 0.00 N ATOM 626 CA LYS A 40 5.535 -22.311 7.410 1.00 0.00 C ATOM 627 C LYS A 40 5.574 -23.820 7.628 1.00 0.00 C ATOM 628 O LYS A 40 5.562 -24.595 6.672 1.00 0.00 O ATOM 629 CB LYS A 40 4.353 -21.946 6.510 1.00 0.00 C ATOM 630 CG LYS A 40 4.590 -22.249 5.040 1.00 0.00 C ATOM 631 CD LYS A 40 3.394 -21.857 4.190 1.00 0.00 C ATOM 632 CE LYS A 40 2.229 -22.814 4.392 1.00 0.00 C ATOM 633 NZ LYS A 40 2.360 -24.034 3.547 1.00 0.00 N ATOM 0 H LYS A 40 6.994 -22.236 5.906 1.00 0.00 H new ATOM 0 HA LYS A 40 5.411 -21.824 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.470 -22.489 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.136 -20.884 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.474 -21.713 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.793 -23.313 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.082 -20.844 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.681 -21.848 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.174 -23.103 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.295 -22.305 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.547 -24.661 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.386 -23.760 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.238 -24.534 3.793 1.00 0.00 H new ATOM 647 N GLU A 41 5.619 -24.230 8.892 1.00 0.00 N ATOM 648 CA GLU A 41 5.659 -25.647 9.235 1.00 0.00 C ATOM 649 C GLU A 41 4.343 -26.091 9.867 1.00 0.00 C ATOM 650 O GLU A 41 3.535 -25.264 10.289 1.00 0.00 O ATOM 651 CB GLU A 41 6.818 -25.931 10.192 1.00 0.00 C ATOM 652 CG GLU A 41 7.619 -27.169 9.827 1.00 0.00 C ATOM 653 CD GLU A 41 7.063 -28.430 10.459 1.00 0.00 C ATOM 654 OE1 GLU A 41 6.666 -28.377 11.642 1.00 0.00 O ATOM 655 OE2 GLU A 41 7.024 -29.471 9.770 1.00 0.00 O ATOM 0 H GLU A 41 5.629 -23.601 9.695 1.00 0.00 H new ATOM 0 HA GLU A 41 5.810 -26.213 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.485 -25.069 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.424 -26.048 11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.629 -27.284 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.653 -27.034 10.143 1.00 0.00 H new ATOM 662 N GLU A 42 4.135 -27.402 9.927 1.00 0.00 N ATOM 663 CA GLU A 42 2.917 -27.956 10.506 1.00 0.00 C ATOM 664 C GLU A 42 2.812 -27.608 11.988 1.00 0.00 C ATOM 665 O GLU A 42 1.715 -27.429 12.517 1.00 0.00 O ATOM 666 CB GLU A 42 2.884 -29.475 10.324 1.00 0.00 C ATOM 667 CG GLU A 42 3.852 -30.218 11.229 1.00 0.00 C ATOM 668 CD GLU A 42 3.754 -31.723 11.078 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.123 -32.182 10.103 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.310 -32.443 11.934 1.00 0.00 O ATOM 0 H GLU A 42 4.794 -28.100 9.582 1.00 0.00 H new ATOM 0 HA GLU A 42 2.066 -27.517 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.873 -29.833 10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.115 -29.713 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.870 -29.900 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.654 -29.947 12.266 1.00 0.00 H new ATOM 677 N GLN A 43 3.960 -27.516 12.651 1.00 0.00 N ATOM 678 CA GLN A 43 3.997 -27.191 14.072 1.00 0.00 C ATOM 679 C GLN A 43 3.785 -25.697 14.295 1.00 0.00 C ATOM 680 O GLN A 43 2.715 -25.270 14.729 1.00 0.00 O ATOM 681 CB GLN A 43 5.332 -27.624 14.681 1.00 0.00 C ATOM 682 CG GLN A 43 5.516 -29.132 14.731 1.00 0.00 C ATOM 683 CD GLN A 43 6.370 -29.578 15.901 1.00 0.00 C ATOM 684 OE1 GLN A 43 7.587 -29.392 15.903 1.00 0.00 O ATOM 685 NE2 GLN A 43 5.735 -30.169 16.907 1.00 0.00 N ATOM 0 H GLN A 43 4.876 -27.662 12.227 1.00 0.00 H new ATOM 0 HA GLN A 43 3.188 -27.732 14.563 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.145 -27.186 14.102 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.408 -27.223 15.692 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.539 -29.611 14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.975 -29.469 13.802 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.725 -30.303 16.864 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.258 -30.489 17.723 1.00 0.00 H new ATOM 694 N TRP A 44 4.810 -24.908 13.995 1.00 0.00 N ATOM 695 CA TRP A 44 4.735 -23.461 14.163 1.00 0.00 C ATOM 696 C TRP A 44 5.198 -22.741 12.901 1.00 0.00 C ATOM 697 O TRP A 44 5.950 -23.297 12.100 1.00 0.00 O ATOM 698 CB TRP A 44 5.584 -23.021 15.357 1.00 0.00 C ATOM 699 CG TRP A 44 5.353 -23.846 16.586 1.00 0.00 C ATOM 700 CD1 TRP A 44 6.038 -24.967 16.961 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.369 -23.617 17.600 1.00 0.00 C ATOM 702 NE1 TRP A 44 5.538 -25.448 18.147 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.515 -24.637 18.561 1.00 0.00 C ATOM 704 CE3 TRP A 44 3.380 -22.648 17.792 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.707 -24.714 19.692 1.00 0.00 C ATOM 706 CZ3 TRP A 44 2.580 -22.726 18.915 1.00 0.00 C ATOM 707 CH2 TRP A 44 2.747 -23.753 19.854 1.00 0.00 C ATOM 0 H TRP A 44 5.703 -25.245 13.634 1.00 0.00 H new ATOM 0 HA TRP A 44 3.694 -23.195 14.349 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.638 -23.076 15.084 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.367 -21.977 15.583 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.852 -25.410 16.407 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.874 -26.275 18.640 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.244 -21.852 17.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.834 -25.505 20.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.812 -21.983 19.072 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.105 -23.786 20.722 1.00 0.00 H new ATOM 718 N TRP A 45 4.745 -21.505 12.730 1.00 0.00 N ATOM 719 CA TRP A 45 5.115 -20.710 11.565 1.00 0.00 C ATOM 720 C TRP A 45 6.130 -19.635 11.938 1.00 0.00 C ATOM 721 O TRP A 45 5.962 -18.929 12.932 1.00 0.00 O ATOM 722 CB TRP A 45 3.873 -20.063 10.948 1.00 0.00 C ATOM 723 CG TRP A 45 3.041 -21.019 10.148 1.00 0.00 C ATOM 724 CD1 TRP A 45 2.951 -22.371 10.321 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.183 -20.696 9.049 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.089 -22.907 9.395 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.604 -21.900 8.604 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.845 -19.506 8.399 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.709 -21.947 7.538 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.957 -19.553 7.341 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.396 -20.767 6.920 1.00 0.00 C ATOM 0 H TRP A 45 4.121 -21.031 13.383 1.00 0.00 H new ATOM 0 HA TRP A 45 5.572 -21.376 10.833 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.261 -19.637 11.743 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.182 -19.237 10.307 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.480 -22.936 11.075 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.849 -23.895 9.310 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.270 -18.566 8.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.277 -22.881 7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.691 -18.639 6.830 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.297 -20.771 6.092 1.00 0.00 H new ATOM 742 N TRP A 46 7.182 -19.517 11.136 1.00 0.00 N ATOM 743 CA TRP A 46 8.224 -18.528 11.383 1.00 0.00 C ATOM 744 C TRP A 46 7.833 -17.170 10.811 1.00 0.00 C ATOM 745 O TRP A 46 7.407 -17.070 9.661 1.00 0.00 O ATOM 746 CB TRP A 46 9.549 -18.989 10.773 1.00 0.00 C ATOM 747 CG TRP A 46 10.234 -20.053 11.577 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.774 -21.314 11.828 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.502 -19.947 12.234 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.679 -21.998 12.603 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.748 -21.182 12.865 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.453 -18.930 12.350 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.905 -21.424 13.600 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.601 -19.172 13.081 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.820 -20.411 13.697 1.00 0.00 C ATOM 0 H TRP A 46 7.336 -20.094 10.309 1.00 0.00 H new ATOM 0 HA TRP A 46 8.344 -18.426 12.462 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.366 -19.365 9.766 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.215 -18.131 10.677 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.837 -21.715 11.470 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.572 -22.958 12.930 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.294 -17.972 11.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.075 -22.378 14.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.342 -18.392 13.179 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.728 -20.570 14.259 1.00 0.00 H new ATOM 766 N ALA A 47 7.979 -16.127 11.621 1.00 0.00 N ATOM 767 CA ALA A 47 7.643 -14.774 11.194 1.00 0.00 C ATOM 768 C ALA A 47 8.713 -13.779 11.629 1.00 0.00 C ATOM 769 O ALA A 47 9.229 -13.853 12.745 1.00 0.00 O ATOM 770 CB ALA A 47 6.285 -14.368 11.748 1.00 0.00 C ATOM 0 H ALA A 47 8.328 -16.193 12.577 1.00 0.00 H new ATOM 0 HA ALA A 47 7.597 -14.764 10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.047 -13.356 11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.523 -15.056 11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.312 -14.401 12.837 1.00 0.00 H new ATOM 776 N THR A 48 9.043 -12.846 10.741 1.00 0.00 N ATOM 777 CA THR A 48 10.053 -11.836 11.033 1.00 0.00 C ATOM 778 C THR A 48 9.477 -10.431 10.911 1.00 0.00 C ATOM 779 O THR A 48 8.823 -10.100 9.920 1.00 0.00 O ATOM 780 CB THR A 48 11.265 -11.966 10.091 1.00 0.00 C ATOM 781 OG1 THR A 48 11.690 -13.332 10.024 1.00 0.00 O ATOM 782 CG2 THR A 48 12.417 -11.094 10.569 1.00 0.00 C ATOM 0 H THR A 48 8.625 -12.769 9.814 1.00 0.00 H new ATOM 0 HA THR A 48 10.380 -12.003 12.059 1.00 0.00 H new ATOM 0 HB THR A 48 10.963 -11.631 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.460 -13.406 9.422 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.262 -11.202 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.099 -10.051 10.591 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.716 -11.403 11.571 1.00 0.00 H new ATOM 790 N LEU A 49 9.723 -9.605 11.922 1.00 0.00 N ATOM 791 CA LEU A 49 9.228 -8.233 11.928 1.00 0.00 C ATOM 792 C LEU A 49 10.287 -7.270 11.400 1.00 0.00 C ATOM 793 O LEU A 49 11.348 -7.105 12.005 1.00 0.00 O ATOM 794 CB LEU A 49 8.812 -7.826 13.342 1.00 0.00 C ATOM 795 CG LEU A 49 7.352 -8.084 13.713 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.224 -8.395 15.196 1.00 0.00 C ATOM 797 CD2 LEU A 49 6.487 -6.888 13.341 1.00 0.00 C ATOM 0 H LEU A 49 10.263 -9.862 12.749 1.00 0.00 H new ATOM 0 HA LEU A 49 8.359 -8.184 11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.446 -8.357 14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.015 -6.762 13.467 1.00 0.00 H new ATOM 0 HG LEU A 49 7.003 -8.949 13.150 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.177 -8.576 15.441 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.811 -9.282 15.434 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.592 -7.550 15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.451 -7.090 13.613 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.837 -6.005 13.876 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.553 -6.711 12.267 1.00 0.00 H new ATOM 809 N LEU A 50 9.993 -6.637 10.270 1.00 0.00 N ATOM 810 CA LEU A 50 10.919 -5.688 9.661 1.00 0.00 C ATOM 811 C LEU A 50 10.373 -4.266 9.743 1.00 0.00 C ATOM 812 O LEU A 50 9.179 -4.060 9.961 1.00 0.00 O ATOM 813 CB LEU A 50 11.178 -6.064 8.202 1.00 0.00 C ATOM 814 CG LEU A 50 10.936 -7.527 7.832 1.00 0.00 C ATOM 815 CD1 LEU A 50 11.155 -7.745 6.343 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.842 -8.440 8.645 1.00 0.00 C ATOM 0 H LEU A 50 9.121 -6.763 9.757 1.00 0.00 H new ATOM 0 HA LEU A 50 11.858 -5.729 10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.546 -5.441 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.212 -5.816 7.962 1.00 0.00 H new ATOM 0 HG LEU A 50 9.900 -7.774 8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.978 -8.792 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.464 -7.119 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.180 -7.480 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.656 -9.478 8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.884 -8.192 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.636 -8.305 9.707 1.00 0.00 H new ATOM 828 N ASP A 51 11.255 -3.288 9.565 1.00 0.00 N ATOM 829 CA ASP A 51 10.861 -1.885 9.615 1.00 0.00 C ATOM 830 C ASP A 51 10.164 -1.470 8.323 1.00 0.00 C ATOM 831 O ASP A 51 9.998 -2.277 7.410 1.00 0.00 O ATOM 832 CB ASP A 51 12.084 -0.999 9.857 1.00 0.00 C ATOM 833 CG ASP A 51 11.752 0.235 10.673 1.00 0.00 C ATOM 834 OD1 ASP A 51 10.846 0.155 11.530 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.398 1.281 10.456 1.00 0.00 O ATOM 0 H ASP A 51 12.247 -3.441 9.385 1.00 0.00 H new ATOM 0 HA ASP A 51 10.161 -1.758 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.851 -1.577 10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.504 -0.695 8.898 1.00 0.00 H new ATOM 840 N GLU A 52 9.757 -0.206 8.256 1.00 0.00 N ATOM 841 CA GLU A 52 9.076 0.315 7.077 1.00 0.00 C ATOM 842 C GLU A 52 9.950 0.169 5.835 1.00 0.00 C ATOM 843 O GLU A 52 9.451 -0.068 4.735 1.00 0.00 O ATOM 844 CB GLU A 52 8.705 1.785 7.283 1.00 0.00 C ATOM 845 CG GLU A 52 9.904 2.690 7.509 1.00 0.00 C ATOM 846 CD GLU A 52 9.539 3.975 8.227 1.00 0.00 C ATOM 847 OE1 GLU A 52 8.335 4.192 8.480 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.457 4.764 8.535 1.00 0.00 O ATOM 0 H GLU A 52 9.887 0.475 9.004 1.00 0.00 H new ATOM 0 HA GLU A 52 8.165 -0.265 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.154 2.137 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.034 1.865 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.654 2.154 8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.358 2.932 6.548 1.00 0.00 H new ATOM 855 N ALA A 53 11.259 0.314 6.019 1.00 0.00 N ATOM 856 CA ALA A 53 12.203 0.197 4.915 1.00 0.00 C ATOM 857 C ALA A 53 12.471 -1.265 4.574 1.00 0.00 C ATOM 858 O ALA A 53 12.960 -1.581 3.490 1.00 0.00 O ATOM 859 CB ALA A 53 13.504 0.908 5.255 1.00 0.00 C ATOM 0 H ALA A 53 11.689 0.513 6.922 1.00 0.00 H new ATOM 0 HA ALA A 53 11.760 0.672 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.200 0.812 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.304 1.963 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.942 0.459 6.146 1.00 0.00 H new ATOM 865 N GLY A 54 12.146 -2.155 5.507 1.00 0.00 N ATOM 866 CA GLY A 54 12.360 -3.573 5.286 1.00 0.00 C ATOM 867 C GLY A 54 13.431 -4.147 6.192 1.00 0.00 C ATOM 868 O GLY A 54 13.633 -5.359 6.237 1.00 0.00 O ATOM 0 H GLY A 54 11.738 -1.919 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.425 -4.108 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.642 -3.737 4.246 1.00 0.00 H new ATOM 872 N GLY A 55 14.121 -3.271 6.917 1.00 0.00 N ATOM 873 CA GLY A 55 15.171 -3.716 7.816 1.00 0.00 C ATOM 874 C GLY A 55 14.640 -4.573 8.948 1.00 0.00 C ATOM 875 O GLY A 55 13.872 -4.100 9.786 1.00 0.00 O ATOM 0 H GLY A 55 13.972 -2.262 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.912 -4.283 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.682 -2.847 8.231 1.00 0.00 H new ATOM 879 N ALA A 56 15.048 -5.838 8.972 1.00 0.00 N ATOM 880 CA ALA A 56 14.609 -6.762 10.010 1.00 0.00 C ATOM 881 C ALA A 56 14.829 -6.173 11.399 1.00 0.00 C ATOM 882 O ALA A 56 15.689 -5.314 11.591 1.00 0.00 O ATOM 883 CB ALA A 56 15.338 -8.091 9.876 1.00 0.00 C ATOM 0 H ALA A 56 15.682 -6.246 8.285 1.00 0.00 H new ATOM 0 HA ALA A 56 13.540 -6.932 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.000 -8.772 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.125 -8.526 8.899 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.411 -7.929 9.975 1.00 0.00 H new ATOM 889 N VAL A 57 14.045 -6.640 12.366 1.00 0.00 N ATOM 890 CA VAL A 57 14.155 -6.159 13.738 1.00 0.00 C ATOM 891 C VAL A 57 13.999 -7.302 14.735 1.00 0.00 C ATOM 892 O VAL A 57 14.937 -7.645 15.453 1.00 0.00 O ATOM 893 CB VAL A 57 13.097 -5.081 14.041 1.00 0.00 C ATOM 894 CG1 VAL A 57 13.389 -4.407 15.373 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.043 -4.058 12.917 1.00 0.00 C ATOM 0 H VAL A 57 13.327 -7.351 12.224 1.00 0.00 H new ATOM 0 HA VAL A 57 15.148 -5.723 13.842 1.00 0.00 H new ATOM 0 HB VAL A 57 12.121 -5.562 14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.632 -3.648 15.571 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.373 -5.152 16.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.372 -3.937 15.335 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.290 -3.304 13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.017 -3.579 12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.783 -4.557 11.983 1.00 0.00 H new ATOM 905 N ALA A 58 12.807 -7.889 14.773 1.00 0.00 N ATOM 906 CA ALA A 58 12.528 -8.995 15.679 1.00 0.00 C ATOM 907 C ALA A 58 12.390 -10.309 14.917 1.00 0.00 C ATOM 908 O ALA A 58 11.879 -10.335 13.797 1.00 0.00 O ATOM 909 CB ALA A 58 11.267 -8.714 16.483 1.00 0.00 C ATOM 0 H ALA A 58 12.019 -7.616 14.186 1.00 0.00 H new ATOM 0 HA ALA A 58 13.370 -9.090 16.365 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.071 -9.549 17.156 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.402 -7.803 17.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.423 -8.589 15.804 1.00 0.00 H new ATOM 915 N GLN A 59 12.848 -11.395 15.530 1.00 0.00 N ATOM 916 CA GLN A 59 12.776 -12.711 14.907 1.00 0.00 C ATOM 917 C GLN A 59 12.203 -13.741 15.875 1.00 0.00 C ATOM 918 O GLN A 59 12.658 -13.860 17.012 1.00 0.00 O ATOM 919 CB GLN A 59 14.163 -13.153 14.437 1.00 0.00 C ATOM 920 CG GLN A 59 14.933 -12.064 13.708 1.00 0.00 C ATOM 921 CD GLN A 59 15.812 -11.249 14.637 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.713 -10.023 14.687 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.679 -11.928 15.379 1.00 0.00 N ATOM 0 H GLN A 59 13.273 -11.390 16.457 1.00 0.00 H new ATOM 0 HA GLN A 59 12.113 -12.641 14.045 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.743 -13.481 15.300 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.057 -14.015 13.778 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.552 -12.518 12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.229 -11.401 13.205 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.727 -12.944 15.305 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.297 -11.433 16.023 1.00 0.00 H new ATOM 932 N GLY A 60 11.200 -14.484 15.416 1.00 0.00 N ATOM 933 CA GLY A 60 10.580 -15.493 16.255 1.00 0.00 C ATOM 934 C GLY A 60 9.545 -16.311 15.508 1.00 0.00 C ATOM 935 O GLY A 60 9.195 -15.994 14.371 1.00 0.00 O ATOM 0 H GLY A 60 10.806 -14.405 14.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.350 -16.158 16.648 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.109 -15.010 17.111 1.00 0.00 H new ATOM 939 N TYR A 61 9.055 -17.368 16.147 1.00 0.00 N ATOM 940 CA TYR A 61 8.057 -18.236 15.535 1.00 0.00 C ATOM 941 C TYR A 61 6.748 -18.199 16.318 1.00 0.00 C ATOM 942 O TYR A 61 6.746 -18.240 17.548 1.00 0.00 O ATOM 943 CB TYR A 61 8.578 -19.673 15.459 1.00 0.00 C ATOM 944 CG TYR A 61 9.142 -20.182 16.766 1.00 0.00 C ATOM 945 CD1 TYR A 61 8.318 -20.770 17.718 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.498 -20.075 17.049 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.828 -21.236 18.914 1.00 0.00 C ATOM 948 CE2 TYR A 61 11.017 -20.540 18.242 1.00 0.00 C ATOM 949 CZ TYR A 61 10.178 -21.120 19.171 1.00 0.00 C ATOM 950 OH TYR A 61 10.691 -21.583 20.361 1.00 0.00 O ATOM 0 H TYR A 61 9.333 -17.644 17.089 1.00 0.00 H new ATOM 0 HA TYR A 61 7.866 -17.871 14.526 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.766 -20.329 15.143 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.351 -19.730 14.692 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.261 -20.864 17.519 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.157 -19.621 16.324 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.173 -21.689 19.644 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.074 -20.450 18.446 1.00 0.00 H new ATOM 0 HH TYR A 61 9.960 -21.902 20.930 1.00 0.00 H new ATOM 960 N VAL A 62 5.636 -18.121 15.594 1.00 0.00 N ATOM 961 CA VAL A 62 4.319 -18.079 16.219 1.00 0.00 C ATOM 962 C VAL A 62 3.300 -18.870 15.407 1.00 0.00 C ATOM 963 O VAL A 62 3.456 -19.079 14.203 1.00 0.00 O ATOM 964 CB VAL A 62 3.819 -16.631 16.379 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.498 -15.960 17.563 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.056 -15.842 15.101 1.00 0.00 C ATOM 0 H VAL A 62 5.621 -18.086 14.575 1.00 0.00 H new ATOM 0 HA VAL A 62 4.423 -18.531 17.206 1.00 0.00 H new ATOM 0 HB VAL A 62 2.746 -16.654 16.571 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.132 -14.938 17.661 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.273 -16.515 18.474 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.576 -15.946 17.404 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.697 -14.821 15.232 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.122 -15.825 14.876 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.519 -16.313 14.278 1.00 0.00 H new ATOM 976 N PRO A 63 2.230 -19.321 16.077 1.00 0.00 N ATOM 977 CA PRO A 63 1.162 -20.095 15.437 1.00 0.00 C ATOM 978 C PRO A 63 0.329 -19.251 14.479 1.00 0.00 C ATOM 979 O PRO A 63 0.202 -18.038 14.653 1.00 0.00 O ATOM 980 CB PRO A 63 0.308 -20.565 16.617 1.00 0.00 C ATOM 981 CG PRO A 63 0.554 -19.559 17.688 1.00 0.00 C ATOM 982 CD PRO A 63 1.978 -19.108 17.513 1.00 0.00 C ATOM 0 HA PRO A 63 1.557 -20.909 14.829 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.748 -20.608 16.349 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.596 -21.565 16.940 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.135 -18.719 17.600 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.401 -19.995 18.675 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.105 -18.062 17.792 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.662 -19.689 18.131 1.00 0.00 H new ATOM 990 N HIS A 64 -0.239 -19.899 13.467 1.00 0.00 N ATOM 991 CA HIS A 64 -1.062 -19.208 12.481 1.00 0.00 C ATOM 992 C HIS A 64 -2.211 -18.466 13.157 1.00 0.00 C ATOM 993 O HIS A 64 -2.719 -17.477 12.630 1.00 0.00 O ATOM 994 CB HIS A 64 -1.613 -20.201 11.458 1.00 0.00 C ATOM 995 CG HIS A 64 -2.259 -19.548 10.275 1.00 0.00 C ATOM 996 ND1 HIS A 64 -3.546 -19.829 9.869 1.00 0.00 N ATOM 997 CD2 HIS A 64 -1.788 -18.619 9.411 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.838 -19.104 8.805 1.00 0.00 C ATOM 999 NE2 HIS A 64 -2.788 -18.360 8.506 1.00 0.00 N ATOM 0 H HIS A 64 -0.144 -20.902 13.308 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.434 -18.480 11.967 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.801 -20.840 11.111 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.341 -20.848 11.948 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.808 -18.166 9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.776 -19.117 8.270 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.730 -17.701 7.730 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.616 -18.951 14.326 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.706 -18.335 15.074 1.00 0.00 C ATOM 1009 C ASN A 65 -3.285 -16.978 15.629 1.00 0.00 C ATOM 1010 O ASN A 65 -4.127 -16.143 15.962 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.151 -19.250 16.216 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.170 -18.589 17.123 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -6.338 -18.443 16.761 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -4.732 -18.186 18.310 1.00 0.00 N ATOM 0 H ASN A 65 -2.206 -19.769 14.776 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.543 -18.185 14.391 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.577 -20.164 15.801 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.281 -19.542 16.804 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.372 -17.735 18.964 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.755 -18.327 18.568 1.00 0.00 H new ATOM 1021 N TYR A 66 -1.978 -16.764 15.726 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.445 -15.509 16.243 1.00 0.00 C ATOM 1023 C TYR A 66 -1.614 -14.385 15.225 1.00 0.00 C ATOM 1024 O TYR A 66 -2.355 -13.429 15.455 1.00 0.00 O ATOM 1025 CB TYR A 66 0.033 -15.668 16.603 1.00 0.00 C ATOM 1026 CG TYR A 66 0.381 -15.149 17.980 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -0.327 -15.566 19.100 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.417 -14.241 18.160 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -0.013 -15.093 20.360 1.00 0.00 C ATOM 1030 CE2 TYR A 66 1.739 -13.764 19.416 1.00 0.00 C ATOM 1031 CZ TYR A 66 1.020 -14.192 20.512 1.00 0.00 C ATOM 1032 OH TYR A 66 1.336 -13.720 21.766 1.00 0.00 O ATOM 0 H TYR A 66 -1.268 -17.443 15.453 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.005 -15.249 17.141 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.301 -16.723 16.543 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.637 -15.143 15.863 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.136 -16.272 18.984 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.980 -13.902 17.303 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.573 -15.427 21.221 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.549 -13.060 19.539 1.00 0.00 H new ATOM 0 HH TYR A 66 2.175 -14.128 22.067 1.00 0.00 H new ATOM 1042 N LEU A 67 -0.921 -14.507 14.098 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.993 -13.503 13.043 1.00 0.00 C ATOM 1044 C LEU A 67 -2.013 -13.901 11.981 1.00 0.00 C ATOM 1045 O LEU A 67 -2.231 -15.086 11.729 1.00 0.00 O ATOM 1046 CB LEU A 67 0.382 -13.311 12.399 1.00 0.00 C ATOM 1047 CG LEU A 67 0.979 -14.540 11.714 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.826 -14.437 10.204 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.444 -14.703 12.093 1.00 0.00 C ATOM 0 H LEU A 67 -0.303 -15.292 13.892 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.312 -12.562 13.492 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.308 -12.510 11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.077 -12.975 13.168 1.00 0.00 H new ATOM 0 HG LEU A 67 0.436 -15.421 12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.257 -15.321 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.232 -14.369 9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.343 -13.547 9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.853 -15.583 11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.001 -13.819 11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.529 -14.824 13.173 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.634 -12.903 11.361 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.628 -13.149 10.323 1.00 0.00 C ATOM 1063 C ALA A 68 -3.287 -12.390 9.045 1.00 0.00 C ATOM 1064 O ALA A 68 -3.204 -11.163 9.046 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.014 -12.760 10.817 1.00 0.00 C ATOM 0 H ALA A 68 -2.466 -11.917 11.559 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.622 -14.215 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.746 -12.949 10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.265 -13.351 11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.024 -11.701 11.076 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.089 -13.130 7.958 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.755 -12.525 6.674 1.00 0.00 C ATOM 1073 C GLU A 69 -3.748 -11.422 6.318 1.00 0.00 C ATOM 1074 O GLU A 69 -4.949 -11.668 6.200 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.739 -13.588 5.574 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.066 -14.310 5.405 1.00 0.00 C ATOM 1077 CD GLU A 69 -3.897 -15.730 4.903 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -2.821 -16.041 4.351 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -4.842 -16.532 5.064 1.00 0.00 O ATOM 0 H GLU A 69 -3.154 -14.148 7.941 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.762 -12.083 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.469 -13.117 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.963 -14.320 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.591 -14.326 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.692 -13.754 4.707 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.237 -10.207 6.147 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.079 -9.066 5.806 1.00 0.00 C ATOM 1088 C ARG A 70 -3.458 -8.253 4.674 1.00 0.00 C ATOM 1089 O ARG A 70 -2.450 -7.574 4.865 1.00 0.00 O ATOM 1090 CB ARG A 70 -4.289 -8.176 7.032 1.00 0.00 C ATOM 1091 CG ARG A 70 -5.483 -8.581 7.881 1.00 0.00 C ATOM 1092 CD ARG A 70 -5.382 -8.016 9.289 1.00 0.00 C ATOM 1093 NE ARG A 70 -6.533 -7.183 9.628 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.691 -5.937 9.195 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -5.777 -5.384 8.410 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.765 -5.242 9.547 1.00 0.00 N ATOM 0 H ARG A 70 -2.245 -9.987 6.239 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.045 -9.445 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.390 -8.203 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.420 -7.145 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.401 -8.228 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.546 -9.668 7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.304 -8.835 10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.469 -7.427 9.379 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.255 -7.580 10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.950 -5.915 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.901 -4.427 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.470 -5.664 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.885 -4.285 9.214 1.00 0.00 H new