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+ 155:sc= -0.0599 (180deg=-0.472) USER MOD Single : A 21 SER OG : rot 110:sc= 0.472 USER MOD Single : A 23 THR OG1 : rot -170:sc= -0.0855 USER MOD Single : A 28 SER OG : rot 180:sc= -0.978 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 43 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.26) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.57) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.069) USER MOD Single : A 65 ASN : amide:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 66 TYR OH : rot 163:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 1.146 -8.951 3.515 1.00 0.00 N ATOM 166 CA LYS A 12 1.889 -8.857 4.766 1.00 0.00 C ATOM 167 C LYS A 12 1.091 -9.457 5.919 1.00 0.00 C ATOM 168 O LYS A 12 -0.106 -9.715 5.791 1.00 0.00 O ATOM 169 CB LYS A 12 2.229 -7.397 5.073 1.00 0.00 C ATOM 170 CG LYS A 12 3.551 -6.943 4.478 1.00 0.00 C ATOM 171 CD LYS A 12 3.568 -7.102 2.967 1.00 0.00 C ATOM 172 CE LYS A 12 4.927 -6.747 2.384 1.00 0.00 C ATOM 173 NZ LYS A 12 5.143 -7.384 1.055 1.00 0.00 N ATOM 0 HA LYS A 12 2.814 -9.423 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.431 -6.759 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.260 -7.259 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.728 -5.899 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.365 -7.522 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.316 -8.130 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.803 -6.464 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.009 -5.665 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.711 -7.065 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.080 -7.118 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.090 -8.418 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.410 -7.061 0.392 1.00 0.00 H new ATOM 187 N TYR A 13 1.761 -9.675 7.045 1.00 0.00 N ATOM 188 CA TYR A 13 1.115 -10.246 8.221 1.00 0.00 C ATOM 189 C TYR A 13 1.094 -9.244 9.371 1.00 0.00 C ATOM 190 O TYR A 13 2.097 -8.590 9.660 1.00 0.00 O ATOM 191 CB TYR A 13 1.835 -11.523 8.656 1.00 0.00 C ATOM 192 CG TYR A 13 1.388 -12.756 7.904 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.845 -13.013 6.617 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.508 -13.665 8.480 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.439 -14.138 5.926 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.098 -14.793 7.797 1.00 0.00 C ATOM 197 CZ TYR A 13 0.566 -15.025 6.520 1.00 0.00 C ATOM 198 OH TYR A 13 0.158 -16.147 5.836 1.00 0.00 O ATOM 0 H TYR A 13 2.751 -9.465 7.168 1.00 0.00 H new ATOM 0 HA TYR A 13 0.086 -10.490 7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.908 -11.391 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.670 -11.678 9.722 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.530 -12.321 6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.139 -13.486 9.479 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.803 -14.322 4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.585 -15.490 8.260 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.455 -16.667 6.396 1.00 0.00 H new ATOM 208 N VAL A 14 -0.057 -9.129 10.026 1.00 0.00 N ATOM 209 CA VAL A 14 -0.211 -8.208 11.146 1.00 0.00 C ATOM 210 C VAL A 14 -1.083 -8.814 12.240 1.00 0.00 C ATOM 211 O VAL A 14 -2.020 -9.561 11.959 1.00 0.00 O ATOM 212 CB VAL A 14 -0.828 -6.871 10.694 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.312 -7.039 10.407 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.598 -5.796 11.745 1.00 0.00 C ATOM 0 H VAL A 14 -0.897 -9.662 9.800 1.00 0.00 H new ATOM 0 HA VAL A 14 0.787 -8.023 11.542 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.337 -6.557 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.731 -6.085 10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.448 -7.777 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.821 -7.376 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.040 -4.858 11.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.061 -6.100 12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.473 -5.658 11.896 1.00 0.00 H new ATOM 224 N GLY A 15 -0.769 -8.486 13.490 1.00 0.00 N ATOM 225 CA GLY A 15 -1.535 -9.006 14.608 1.00 0.00 C ATOM 226 C GLY A 15 -0.870 -8.733 15.942 1.00 0.00 C ATOM 227 O GLY A 15 -0.109 -7.774 16.080 1.00 0.00 O ATOM 0 H GLY A 15 0.002 -7.870 13.748 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.529 -8.559 14.603 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.668 -10.081 14.485 1.00 0.00 H new ATOM 231 N LEU A 16 -1.159 -9.574 16.929 1.00 0.00 N ATOM 232 CA LEU A 16 -0.586 -9.417 18.261 1.00 0.00 C ATOM 233 C LEU A 16 -0.993 -8.082 18.875 1.00 0.00 C ATOM 234 O LEU A 16 -0.251 -7.102 18.801 1.00 0.00 O ATOM 235 CB LEU A 16 0.939 -9.519 18.196 1.00 0.00 C ATOM 236 CG LEU A 16 1.533 -10.896 18.491 1.00 0.00 C ATOM 237 CD1 LEU A 16 1.425 -11.218 19.973 1.00 0.00 C ATOM 238 CD2 LEU A 16 0.840 -11.965 17.659 1.00 0.00 C ATOM 0 H LEU A 16 -1.787 -10.372 16.832 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.971 -10.218 18.893 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.261 -9.212 17.201 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.361 -8.804 18.903 1.00 0.00 H new ATOM 0 HG LEU A 16 2.589 -10.881 18.220 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.853 -12.202 20.164 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.968 -10.468 20.549 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.376 -11.215 20.271 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.276 -12.939 17.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.223 -11.980 17.898 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.970 -11.743 16.600 1.00 0.00 H new ATOM 250 N TRP A 17 -2.173 -8.051 19.483 1.00 0.00 N ATOM 251 CA TRP A 17 -2.677 -6.836 20.113 1.00 0.00 C ATOM 252 C TRP A 17 -1.794 -6.424 21.285 1.00 0.00 C ATOM 253 O TRP A 17 -1.904 -6.976 22.380 1.00 0.00 O ATOM 254 CB TRP A 17 -4.116 -7.043 20.589 1.00 0.00 C ATOM 255 CG TRP A 17 -5.136 -6.815 19.515 1.00 0.00 C ATOM 256 CD1 TRP A 17 -5.481 -5.620 18.952 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.945 -7.810 18.877 1.00 0.00 C ATOM 258 NE1 TRP A 17 -6.455 -5.811 18.002 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.756 -7.145 17.936 1.00 0.00 C ATOM 260 CE3 TRP A 17 -6.061 -9.196 19.006 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.670 -7.822 17.133 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.968 -9.866 18.208 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.763 -9.179 17.281 1.00 0.00 C ATOM 0 H TRP A 17 -2.799 -8.853 19.553 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.659 -6.037 19.371 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.222 -8.058 20.971 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.317 -6.367 21.420 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.051 -4.665 19.215 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.884 -5.078 17.437 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.452 -9.734 19.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.284 -7.294 16.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.066 -10.938 18.300 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.463 -9.731 16.671 1.00 0.00 H new ATOM 274 N ASP A 18 -0.921 -5.452 21.049 1.00 0.00 N ATOM 275 CA ASP A 18 -0.020 -4.965 22.088 1.00 0.00 C ATOM 276 C ASP A 18 0.519 -6.120 22.926 1.00 0.00 C ATOM 277 O ASP A 18 0.088 -6.332 24.059 1.00 0.00 O ATOM 278 CB ASP A 18 -0.739 -3.958 22.987 1.00 0.00 C ATOM 279 CG ASP A 18 -2.033 -4.510 23.554 1.00 0.00 C ATOM 280 OD1 ASP A 18 -3.056 -4.475 22.839 1.00 0.00 O ATOM 281 OD2 ASP A 18 -2.021 -4.977 24.712 1.00 0.00 O ATOM 0 H ASP A 18 -0.817 -4.985 20.148 1.00 0.00 H new ATOM 0 HA ASP A 18 0.820 -4.470 21.602 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.080 -3.671 23.806 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.952 -3.053 22.417 1.00 0.00 H new ATOM 286 N PHE A 19 1.462 -6.866 22.360 1.00 0.00 N ATOM 287 CA PHE A 19 2.058 -8.001 23.054 1.00 0.00 C ATOM 288 C PHE A 19 3.559 -8.074 22.789 1.00 0.00 C ATOM 289 O PHE A 19 3.996 -8.160 21.641 1.00 0.00 O ATOM 290 CB PHE A 19 1.388 -9.304 22.613 1.00 0.00 C ATOM 291 CG PHE A 19 0.299 -9.762 23.541 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.590 -10.126 24.846 1.00 0.00 C ATOM 293 CD2 PHE A 19 -1.016 -9.828 23.109 1.00 0.00 C ATOM 294 CE1 PHE A 19 -0.409 -10.548 25.702 1.00 0.00 C ATOM 295 CE2 PHE A 19 -2.020 -10.249 23.961 1.00 0.00 C ATOM 296 CZ PHE A 19 -1.716 -10.609 25.259 1.00 0.00 C ATOM 0 H PHE A 19 1.830 -6.705 21.422 1.00 0.00 H new ATOM 0 HA PHE A 19 1.902 -7.863 24.124 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.971 -9.169 21.615 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.144 -10.085 22.540 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.610 -10.079 25.198 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.259 -9.547 22.095 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.168 -10.830 26.716 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.041 -10.296 23.612 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.499 -10.938 25.927 1.00 0.00 H new ATOM 306 N LYS A 20 4.345 -8.038 23.860 1.00 0.00 N ATOM 307 CA LYS A 20 5.797 -8.100 23.747 1.00 0.00 C ATOM 308 C LYS A 20 6.362 -9.228 24.604 1.00 0.00 C ATOM 309 O LYS A 20 6.222 -9.221 25.827 1.00 0.00 O ATOM 310 CB LYS A 20 6.419 -6.766 24.166 1.00 0.00 C ATOM 311 CG LYS A 20 5.719 -5.556 23.573 1.00 0.00 C ATOM 312 CD LYS A 20 5.899 -5.489 22.066 1.00 0.00 C ATOM 313 CE LYS A 20 5.790 -4.061 21.554 1.00 0.00 C ATOM 314 NZ LYS A 20 6.917 -3.213 22.031 1.00 0.00 N ATOM 0 H LYS A 20 4.000 -7.966 24.817 1.00 0.00 H new ATOM 0 HA LYS A 20 6.047 -8.299 22.705 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.398 -6.691 25.253 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.467 -6.753 23.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.656 -5.596 23.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.113 -4.647 24.028 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.872 -5.900 21.796 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.145 -6.109 21.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.776 -4.066 20.464 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.845 -3.628 21.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.061 -2.423 21.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.694 -2.838 22.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.784 -3.785 22.081 1.00 0.00 H new ATOM 328 N SER A 21 7.002 -10.195 23.954 1.00 0.00 N ATOM 329 CA SER A 21 7.587 -11.331 24.657 1.00 0.00 C ATOM 330 C SER A 21 9.013 -11.021 25.101 1.00 0.00 C ATOM 331 O SER A 21 9.523 -9.925 24.866 1.00 0.00 O ATOM 332 CB SER A 21 7.577 -12.572 23.762 1.00 0.00 C ATOM 333 OG SER A 21 6.484 -13.418 24.074 1.00 0.00 O ATOM 0 H SER A 21 7.129 -10.215 22.942 1.00 0.00 H new ATOM 0 HA SER A 21 6.984 -11.527 25.544 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.520 -12.269 22.716 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.511 -13.120 23.884 1.00 0.00 H new ATOM 0 HG SER A 21 5.834 -13.396 23.341 1.00 0.00 H new ATOM 339 N ARG A 22 9.652 -11.994 25.742 1.00 0.00 N ATOM 340 CA ARG A 22 11.019 -11.825 26.220 1.00 0.00 C ATOM 341 C ARG A 22 11.869 -13.044 25.876 1.00 0.00 C ATOM 342 O ARG A 22 12.827 -13.366 26.580 1.00 0.00 O ATOM 343 CB ARG A 22 11.028 -11.593 27.732 1.00 0.00 C ATOM 344 CG ARG A 22 10.634 -12.820 28.538 1.00 0.00 C ATOM 345 CD ARG A 22 9.425 -12.543 29.418 1.00 0.00 C ATOM 346 NE ARG A 22 9.643 -11.404 30.306 1.00 0.00 N ATOM 347 CZ ARG A 22 8.659 -10.728 30.889 1.00 0.00 C ATOM 348 NH1 ARG A 22 7.397 -11.075 30.680 1.00 0.00 N ATOM 349 NH2 ARG A 22 8.938 -9.703 31.684 1.00 0.00 N ATOM 0 H ARG A 22 9.245 -12.908 25.942 1.00 0.00 H new ATOM 0 HA ARG A 22 11.446 -10.954 25.724 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.025 -11.273 28.036 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.345 -10.777 27.970 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.412 -13.645 27.861 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.473 -13.134 29.159 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.556 -12.351 28.789 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.199 -13.428 30.013 1.00 0.00 H new ATOM 0 HE ARG A 22 10.603 -11.112 30.488 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.179 -11.863 30.070 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.644 -10.554 31.129 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.908 -9.434 31.848 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.182 -9.184 32.131 1.00 0.00 H new ATOM 363 N THR A 23 11.513 -13.720 24.788 1.00 0.00 N ATOM 364 CA THR A 23 12.241 -14.905 24.351 1.00 0.00 C ATOM 365 C THR A 23 12.250 -15.015 22.831 1.00 0.00 C ATOM 366 O THR A 23 11.446 -14.380 22.148 1.00 0.00 O ATOM 367 CB THR A 23 11.632 -16.189 24.944 1.00 0.00 C ATOM 368 OG1 THR A 23 10.204 -16.083 24.980 1.00 0.00 O ATOM 369 CG2 THR A 23 12.162 -16.442 26.347 1.00 0.00 C ATOM 0 H THR A 23 10.724 -13.467 24.193 1.00 0.00 H new ATOM 0 HA THR A 23 13.264 -14.798 24.711 1.00 0.00 H new ATOM 0 HB THR A 23 11.918 -17.027 24.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.834 -16.828 25.498 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.717 -17.354 26.745 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.246 -16.552 26.312 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.903 -15.601 26.991 1.00 0.00 H new ATOM 377 N ASP A 24 13.163 -15.825 22.307 1.00 0.00 N ATOM 378 CA ASP A 24 13.275 -16.020 20.866 1.00 0.00 C ATOM 379 C ASP A 24 12.092 -16.822 20.332 1.00 0.00 C ATOM 380 O ASP A 24 11.805 -16.801 19.136 1.00 0.00 O ATOM 381 CB ASP A 24 14.585 -16.733 20.526 1.00 0.00 C ATOM 382 CG ASP A 24 15.731 -16.293 21.417 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.402 -15.298 21.072 1.00 0.00 O ATOM 384 OD2 ASP A 24 15.955 -16.943 22.459 1.00 0.00 O ATOM 0 H ASP A 24 13.836 -16.357 22.858 1.00 0.00 H new ATOM 0 HA ASP A 24 13.270 -15.039 20.391 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.445 -17.810 20.623 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.842 -16.538 19.485 1.00 0.00 H new ATOM 389 N GLU A 25 11.411 -17.529 21.228 1.00 0.00 N ATOM 390 CA GLU A 25 10.260 -18.340 20.846 1.00 0.00 C ATOM 391 C GLU A 25 9.063 -17.458 20.504 1.00 0.00 C ATOM 392 O GLU A 25 8.046 -17.940 20.006 1.00 0.00 O ATOM 393 CB GLU A 25 9.891 -19.305 21.975 1.00 0.00 C ATOM 394 CG GLU A 25 9.725 -18.628 23.325 1.00 0.00 C ATOM 395 CD GLU A 25 8.697 -19.317 24.201 1.00 0.00 C ATOM 396 OE1 GLU A 25 7.497 -19.264 23.860 1.00 0.00 O ATOM 397 OE2 GLU A 25 9.093 -19.909 25.227 1.00 0.00 O ATOM 0 H GLU A 25 11.636 -17.557 22.223 1.00 0.00 H new ATOM 0 HA GLU A 25 10.530 -18.915 19.960 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.963 -19.815 21.717 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.663 -20.070 22.054 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.685 -18.614 23.841 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.430 -17.590 23.173 1.00 0.00 H new ATOM 404 N GLU A 26 9.192 -16.163 20.776 1.00 0.00 N ATOM 405 CA GLU A 26 8.120 -15.214 20.499 1.00 0.00 C ATOM 406 C GLU A 26 8.686 -13.873 20.039 1.00 0.00 C ATOM 407 O GLU A 26 9.841 -13.546 20.317 1.00 0.00 O ATOM 408 CB GLU A 26 7.251 -15.014 21.742 1.00 0.00 C ATOM 409 CG GLU A 26 6.320 -16.180 22.028 1.00 0.00 C ATOM 410 CD GLU A 26 5.086 -15.765 22.805 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.638 -14.612 22.633 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.569 -16.592 23.585 1.00 0.00 O ATOM 0 H GLU A 26 10.028 -15.747 21.188 1.00 0.00 H new ATOM 0 HA GLU A 26 7.505 -15.624 19.698 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.897 -14.856 22.605 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.658 -14.108 21.618 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.015 -16.636 21.086 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.860 -16.941 22.591 1.00 0.00 H new ATOM 419 N LEU A 27 7.866 -13.102 19.334 1.00 0.00 N ATOM 420 CA LEU A 27 8.283 -11.796 18.835 1.00 0.00 C ATOM 421 C LEU A 27 7.769 -10.679 19.737 1.00 0.00 C ATOM 422 O LEU A 27 6.725 -10.813 20.376 1.00 0.00 O ATOM 423 CB LEU A 27 7.776 -11.589 17.407 1.00 0.00 C ATOM 424 CG LEU A 27 7.780 -12.825 16.507 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.426 -13.515 16.542 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.150 -12.445 15.081 1.00 0.00 C ATOM 0 H LEU A 27 6.908 -13.358 19.095 1.00 0.00 H new ATOM 0 HA LEU A 27 9.373 -11.765 18.835 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.757 -11.204 17.457 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.385 -10.818 16.935 1.00 0.00 H new ATOM 0 HG LEU A 27 8.530 -13.522 16.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.448 -14.392 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.200 -13.822 17.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.657 -12.826 16.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.148 -13.337 14.455 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.424 -11.729 14.695 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.143 -11.996 15.070 1.00 0.00 H new ATOM 438 N SER A 28 8.508 -9.575 19.782 1.00 0.00 N ATOM 439 CA SER A 28 8.128 -8.434 20.607 1.00 0.00 C ATOM 440 C SER A 28 7.738 -7.242 19.738 1.00 0.00 C ATOM 441 O SER A 28 8.595 -6.489 19.275 1.00 0.00 O ATOM 442 CB SER A 28 9.277 -8.046 21.539 1.00 0.00 C ATOM 443 OG SER A 28 9.028 -6.798 22.163 1.00 0.00 O ATOM 0 H SER A 28 9.373 -9.446 19.257 1.00 0.00 H new ATOM 0 HA SER A 28 7.265 -8.722 21.207 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.409 -8.816 22.299 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.207 -7.994 20.973 1.00 0.00 H new ATOM 0 HG SER A 28 9.776 -6.573 22.755 1.00 0.00 H new ATOM 449 N PHE A 29 6.437 -7.076 19.521 1.00 0.00 N ATOM 450 CA PHE A 29 5.932 -5.977 18.707 1.00 0.00 C ATOM 451 C PHE A 29 4.473 -5.677 19.042 1.00 0.00 C ATOM 452 O PHE A 29 3.787 -6.492 19.660 1.00 0.00 O ATOM 453 CB PHE A 29 6.067 -6.311 17.220 1.00 0.00 C ATOM 454 CG PHE A 29 5.163 -7.424 16.772 1.00 0.00 C ATOM 455 CD1 PHE A 29 5.487 -8.745 17.034 1.00 0.00 C ATOM 456 CD2 PHE A 29 3.990 -7.149 16.088 1.00 0.00 C ATOM 457 CE1 PHE A 29 4.658 -9.772 16.622 1.00 0.00 C ATOM 458 CE2 PHE A 29 3.157 -8.171 15.674 1.00 0.00 C ATOM 459 CZ PHE A 29 3.492 -9.484 15.941 1.00 0.00 C ATOM 0 H PHE A 29 5.714 -7.689 19.898 1.00 0.00 H new ATOM 0 HA PHE A 29 6.527 -5.091 18.929 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.849 -5.418 16.634 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.101 -6.586 17.010 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.398 -8.976 17.566 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.724 -6.124 15.876 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.922 -10.798 16.833 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.245 -7.943 15.142 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.843 -10.284 15.618 1.00 0.00 H new ATOM 469 N ARG A 30 4.007 -4.503 18.632 1.00 0.00 N ATOM 470 CA ARG A 30 2.632 -4.094 18.889 1.00 0.00 C ATOM 471 C ARG A 30 1.756 -4.327 17.662 1.00 0.00 C ATOM 472 O ARG A 30 2.259 -4.492 16.551 1.00 0.00 O ATOM 473 CB ARG A 30 2.582 -2.619 19.292 1.00 0.00 C ATOM 474 CG ARG A 30 3.032 -1.672 18.191 1.00 0.00 C ATOM 475 CD ARG A 30 4.464 -1.209 18.406 1.00 0.00 C ATOM 476 NE ARG A 30 4.679 0.151 17.918 1.00 0.00 N ATOM 477 CZ ARG A 30 4.319 1.238 18.591 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.731 1.126 19.774 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.548 2.442 18.081 1.00 0.00 N ATOM 0 H ARG A 30 4.562 -3.817 18.120 1.00 0.00 H new ATOM 0 HA ARG A 30 2.247 -4.701 19.709 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.563 -2.365 19.584 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.212 -2.469 20.169 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.951 -2.170 17.225 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.369 -0.807 18.160 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.704 -1.255 19.468 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.145 -1.889 17.895 1.00 0.00 H new ATOM 0 HE ARG A 30 5.130 0.272 17.011 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.554 0.203 20.170 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.456 1.963 20.288 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.001 2.533 17.172 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.271 3.276 18.599 1.00 0.00 H new ATOM 493 N ALA A 31 0.444 -4.341 17.871 1.00 0.00 N ATOM 494 CA ALA A 31 -0.501 -4.552 16.782 1.00 0.00 C ATOM 495 C ALA A 31 -0.375 -3.460 15.726 1.00 0.00 C ATOM 496 O ALA A 31 -0.118 -2.300 16.046 1.00 0.00 O ATOM 497 CB ALA A 31 -1.923 -4.606 17.320 1.00 0.00 C ATOM 0 H ALA A 31 0.011 -4.209 18.785 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.266 -5.506 16.310 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.618 -4.764 16.495 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.012 -5.427 18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.159 -3.666 17.819 1.00 0.00 H new ATOM 503 N GLY A 32 -0.557 -3.838 14.464 1.00 0.00 N ATOM 504 CA GLY A 32 -0.458 -2.879 13.380 1.00 0.00 C ATOM 505 C GLY A 32 0.839 -3.010 12.606 1.00 0.00 C ATOM 506 O GLY A 32 0.911 -2.636 11.435 1.00 0.00 O ATOM 0 H GLY A 32 -0.771 -4.792 14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.299 -3.016 12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.536 -1.870 13.784 1.00 0.00 H new ATOM 510 N ASP A 33 1.865 -3.542 13.260 1.00 0.00 N ATOM 511 CA ASP A 33 3.166 -3.721 12.626 1.00 0.00 C ATOM 512 C ASP A 33 3.076 -4.718 11.474 1.00 0.00 C ATOM 513 O ASP A 33 2.288 -5.663 11.517 1.00 0.00 O ATOM 514 CB ASP A 33 4.195 -4.199 13.651 1.00 0.00 C ATOM 515 CG ASP A 33 4.958 -3.051 14.284 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.368 -1.961 14.440 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.144 -3.243 14.624 1.00 0.00 O ATOM 0 H ASP A 33 1.821 -3.857 14.229 1.00 0.00 H new ATOM 0 HA ASP A 33 3.484 -2.758 12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.689 -4.769 14.430 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.899 -4.876 13.167 1.00 0.00 H new ATOM 522 N VAL A 34 3.889 -4.500 10.445 1.00 0.00 N ATOM 523 CA VAL A 34 3.901 -5.379 9.282 1.00 0.00 C ATOM 524 C VAL A 34 4.926 -6.495 9.447 1.00 0.00 C ATOM 525 O VAL A 34 6.001 -6.287 10.009 1.00 0.00 O ATOM 526 CB VAL A 34 4.214 -4.597 7.991 1.00 0.00 C ATOM 527 CG1 VAL A 34 3.192 -3.492 7.776 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.624 -4.029 8.042 1.00 0.00 C ATOM 0 H VAL A 34 4.547 -3.723 10.393 1.00 0.00 H new ATOM 0 HA VAL A 34 2.904 -5.813 9.203 1.00 0.00 H new ATOM 0 HB VAL A 34 4.154 -5.283 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.429 -2.951 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.197 -3.928 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.217 -2.804 8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.829 -3.480 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.714 -3.356 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.341 -4.844 8.145 1.00 0.00 H new ATOM 538 N PHE A 35 4.586 -7.681 8.954 1.00 0.00 N ATOM 539 CA PHE A 35 5.476 -8.832 9.048 1.00 0.00 C ATOM 540 C PHE A 35 5.474 -9.629 7.746 1.00 0.00 C ATOM 541 O PHE A 35 4.570 -9.490 6.921 1.00 0.00 O ATOM 542 CB PHE A 35 5.058 -9.734 10.211 1.00 0.00 C ATOM 543 CG PHE A 35 5.576 -9.272 11.543 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.083 -8.118 12.131 1.00 0.00 C ATOM 545 CD2 PHE A 35 6.556 -9.992 12.208 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.558 -7.691 13.356 1.00 0.00 C ATOM 547 CE2 PHE A 35 7.035 -9.570 13.434 1.00 0.00 C ATOM 548 CZ PHE A 35 6.535 -8.418 14.009 1.00 0.00 C ATOM 0 H PHE A 35 3.700 -7.870 8.485 1.00 0.00 H new ATOM 0 HA PHE A 35 6.486 -8.464 9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.970 -9.782 10.250 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.415 -10.746 10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.319 -7.546 11.626 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.950 -10.894 11.763 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.166 -6.789 13.803 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.799 -10.140 13.942 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.907 -8.086 14.967 1.00 0.00 H new ATOM 558 N HIS A 36 6.493 -10.464 7.569 1.00 0.00 N ATOM 559 CA HIS A 36 6.609 -11.284 6.368 1.00 0.00 C ATOM 560 C HIS A 36 7.076 -12.694 6.716 1.00 0.00 C ATOM 561 O HIS A 36 8.032 -12.874 7.470 1.00 0.00 O ATOM 562 CB HIS A 36 7.582 -10.641 5.378 1.00 0.00 C ATOM 563 CG HIS A 36 7.547 -11.261 4.015 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.544 -12.084 3.537 1.00 0.00 N ATOM 565 CD2 HIS A 36 6.626 -11.175 3.027 1.00 0.00 C ATOM 566 CE1 HIS A 36 8.239 -12.477 2.313 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.079 -11.939 1.980 1.00 0.00 N ATOM 0 H HIS A 36 7.250 -10.591 8.241 1.00 0.00 H new ATOM 0 HA HIS A 36 5.624 -11.350 5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.350 -9.579 5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.594 -10.715 5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.706 -10.610 3.057 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.836 -13.127 1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.598 -12.070 1.090 1.00 0.00 H new ATOM 575 N VAL A 37 6.395 -13.691 6.161 1.00 0.00 N ATOM 576 CA VAL A 37 6.740 -15.085 6.412 1.00 0.00 C ATOM 577 C VAL A 37 7.922 -15.523 5.553 1.00 0.00 C ATOM 578 O VAL A 37 7.958 -15.261 4.351 1.00 0.00 O ATOM 579 CB VAL A 37 5.546 -16.018 6.136 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.367 -15.654 7.026 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.154 -15.960 4.668 1.00 0.00 C ATOM 0 H VAL A 37 5.601 -13.559 5.534 1.00 0.00 H new ATOM 0 HA VAL A 37 7.013 -15.158 7.465 1.00 0.00 H new ATOM 0 HB VAL A 37 5.844 -17.040 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.533 -16.324 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.657 -15.751 8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.065 -14.626 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.309 -16.625 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.874 -14.940 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.998 -16.274 4.053 1.00 0.00 H new ATOM 591 N ALA A 38 8.886 -16.191 6.178 1.00 0.00 N ATOM 592 CA ALA A 38 10.068 -16.667 5.470 1.00 0.00 C ATOM 593 C ALA A 38 10.086 -18.190 5.396 1.00 0.00 C ATOM 594 O ALA A 38 10.711 -18.770 4.507 1.00 0.00 O ATOM 595 CB ALA A 38 11.330 -16.154 6.147 1.00 0.00 C ATOM 0 H ALA A 38 8.872 -16.415 7.173 1.00 0.00 H new ATOM 0 HA ALA A 38 10.033 -16.280 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.205 -16.517 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.328 -15.064 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.363 -16.513 7.176 1.00 0.00 H new ATOM 601 N ARG A 39 9.399 -18.832 6.335 1.00 0.00 N ATOM 602 CA ARG A 39 9.339 -20.288 6.376 1.00 0.00 C ATOM 603 C ARG A 39 8.018 -20.761 6.978 1.00 0.00 C ATOM 604 O ARG A 39 7.669 -20.396 8.101 1.00 0.00 O ATOM 605 CB ARG A 39 10.510 -20.845 7.188 1.00 0.00 C ATOM 606 CG ARG A 39 11.744 -21.141 6.353 1.00 0.00 C ATOM 607 CD ARG A 39 11.535 -22.356 5.462 1.00 0.00 C ATOM 608 NE ARG A 39 12.801 -22.962 5.057 1.00 0.00 N ATOM 609 CZ ARG A 39 12.912 -24.214 4.627 1.00 0.00 C ATOM 610 NH1 ARG A 39 11.839 -24.988 4.544 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.099 -24.693 4.276 1.00 0.00 N ATOM 0 H ARG A 39 8.876 -18.367 7.077 1.00 0.00 H new ATOM 0 HA ARG A 39 9.406 -20.659 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.773 -20.130 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.192 -21.760 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.985 -20.274 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.597 -21.312 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.933 -23.094 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.973 -22.063 4.575 1.00 0.00 H new ATOM 0 HE ARG A 39 13.646 -22.393 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.925 -24.623 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.928 -25.949 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.927 -24.100 4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.184 -25.654 3.946 1.00 0.00 H new ATOM 625 N LYS A 40 7.288 -21.573 6.222 1.00 0.00 N ATOM 626 CA LYS A 40 6.006 -22.098 6.679 1.00 0.00 C ATOM 627 C LYS A 40 6.125 -23.570 7.059 1.00 0.00 C ATOM 628 O LYS A 40 6.441 -24.413 6.220 1.00 0.00 O ATOM 629 CB LYS A 40 4.944 -21.925 5.591 1.00 0.00 C ATOM 630 CG LYS A 40 4.857 -20.510 5.045 1.00 0.00 C ATOM 631 CD LYS A 40 5.779 -20.315 3.853 1.00 0.00 C ATOM 632 CE LYS A 40 5.273 -19.217 2.930 1.00 0.00 C ATOM 633 NZ LYS A 40 4.140 -19.682 2.083 1.00 0.00 N ATOM 0 H LYS A 40 7.562 -21.882 5.289 1.00 0.00 H new ATOM 0 HA LYS A 40 5.706 -21.536 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.161 -22.609 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.972 -22.210 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.830 -20.295 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.119 -19.800 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.780 -20.064 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.860 -21.250 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.954 -18.361 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.088 -18.876 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.869 -18.927 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.430 -20.524 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.329 -19.920 2.689 1.00 0.00 H new ATOM 647 N GLU A 41 5.867 -23.872 8.328 1.00 0.00 N ATOM 648 CA GLU A 41 5.945 -25.243 8.817 1.00 0.00 C ATOM 649 C GLU A 41 4.556 -25.783 9.146 1.00 0.00 C ATOM 650 O GLU A 41 3.589 -25.027 9.229 1.00 0.00 O ATOM 651 CB GLU A 41 6.839 -25.316 10.057 1.00 0.00 C ATOM 652 CG GLU A 41 7.596 -26.627 10.186 1.00 0.00 C ATOM 653 CD GLU A 41 8.430 -26.942 8.959 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.295 -26.115 8.602 1.00 0.00 O ATOM 655 OE2 GLU A 41 8.217 -28.014 8.356 1.00 0.00 O ATOM 0 H GLU A 41 5.602 -23.186 9.035 1.00 0.00 H new ATOM 0 HA GLU A 41 6.378 -25.859 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.555 -24.494 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.225 -25.172 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.245 -26.583 11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.886 -27.437 10.356 1.00 0.00 H new ATOM 662 N GLU A 42 4.467 -27.097 9.330 1.00 0.00 N ATOM 663 CA GLU A 42 3.196 -27.738 9.648 1.00 0.00 C ATOM 664 C GLU A 42 2.771 -27.424 11.079 1.00 0.00 C ATOM 665 O GLU A 42 1.584 -27.446 11.403 1.00 0.00 O ATOM 666 CB GLU A 42 3.302 -29.252 9.456 1.00 0.00 C ATOM 667 CG GLU A 42 4.164 -29.940 10.502 1.00 0.00 C ATOM 668 CD GLU A 42 4.146 -31.450 10.372 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.075 -32.053 10.597 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.203 -32.029 10.045 1.00 0.00 O ATOM 0 H GLU A 42 5.258 -27.737 9.264 1.00 0.00 H new ATOM 0 HA GLU A 42 2.440 -27.345 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.301 -29.684 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.713 -29.456 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.190 -29.584 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.815 -29.661 11.496 1.00 0.00 H new ATOM 677 N GLN A 43 3.750 -27.133 11.930 1.00 0.00 N ATOM 678 CA GLN A 43 3.477 -26.815 13.327 1.00 0.00 C ATOM 679 C GLN A 43 3.330 -25.310 13.525 1.00 0.00 C ATOM 680 O GLN A 43 2.223 -24.804 13.707 1.00 0.00 O ATOM 681 CB GLN A 43 4.596 -27.352 14.222 1.00 0.00 C ATOM 682 CG GLN A 43 4.728 -28.866 14.188 1.00 0.00 C ATOM 683 CD GLN A 43 5.381 -29.423 15.438 1.00 0.00 C ATOM 684 OE1 GLN A 43 4.991 -29.090 16.557 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.382 -30.276 15.253 1.00 0.00 N ATOM 0 H GLN A 43 4.738 -27.111 11.677 1.00 0.00 H new ATOM 0 HA GLN A 43 2.537 -27.293 13.605 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.542 -26.906 13.914 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.413 -27.034 15.249 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.740 -29.311 14.070 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.314 -29.156 13.316 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.672 -30.524 14.307 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.860 -30.683 16.057 1.00 0.00 H new ATOM 694 N TRP A 44 4.452 -24.601 13.488 1.00 0.00 N ATOM 695 CA TRP A 44 4.448 -23.154 13.664 1.00 0.00 C ATOM 696 C TRP A 44 5.107 -22.459 12.477 1.00 0.00 C ATOM 697 O TRP A 44 5.908 -23.060 11.762 1.00 0.00 O ATOM 698 CB TRP A 44 5.169 -22.774 14.958 1.00 0.00 C ATOM 699 CG TRP A 44 6.553 -23.343 15.055 1.00 0.00 C ATOM 700 CD1 TRP A 44 7.603 -23.092 14.219 1.00 0.00 C ATOM 701 CD2 TRP A 44 7.035 -24.259 16.044 1.00 0.00 C ATOM 702 NE1 TRP A 44 8.709 -23.797 14.628 1.00 0.00 N ATOM 703 CE2 TRP A 44 8.387 -24.520 15.746 1.00 0.00 C ATOM 704 CE3 TRP A 44 6.457 -24.883 17.153 1.00 0.00 C ATOM 705 CZ2 TRP A 44 9.166 -25.379 16.516 1.00 0.00 C ATOM 706 CZ3 TRP A 44 7.232 -25.735 17.916 1.00 0.00 C ATOM 707 CH2 TRP A 44 8.575 -25.976 17.596 1.00 0.00 C ATOM 0 H TRP A 44 5.376 -25.005 13.338 1.00 0.00 H new ATOM 0 HA TRP A 44 3.411 -22.824 13.724 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.224 -21.688 15.029 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.581 -23.120 15.808 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.569 -22.436 13.362 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.622 -23.784 14.173 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.423 -24.702 17.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.200 -25.568 16.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.795 -26.224 18.774 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.155 -26.646 18.214 1.00 0.00 H new ATOM 718 N TRP A 45 4.764 -21.192 12.274 1.00 0.00 N ATOM 719 CA TRP A 45 5.323 -20.416 11.173 1.00 0.00 C ATOM 720 C TRP A 45 6.353 -19.414 11.682 1.00 0.00 C ATOM 721 O TRP A 45 6.158 -18.783 12.721 1.00 0.00 O ATOM 722 CB TRP A 45 4.211 -19.686 10.420 1.00 0.00 C ATOM 723 CG TRP A 45 3.423 -20.580 9.510 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.222 -21.923 9.654 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.734 -20.194 8.316 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.449 -22.396 8.620 1.00 0.00 N ATOM 727 CE2 TRP A 45 2.136 -21.355 7.787 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.562 -18.982 7.643 1.00 0.00 C ATOM 729 CZ2 TRP A 45 1.381 -21.336 6.617 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.812 -18.964 6.482 1.00 0.00 C ATOM 731 CH2 TRP A 45 1.229 -20.135 5.979 1.00 0.00 C ATOM 0 H TRP A 45 4.102 -20.680 12.857 1.00 0.00 H new ATOM 0 HA TRP A 45 5.821 -21.105 10.491 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.535 -19.227 11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.649 -18.878 9.834 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.613 -22.525 10.461 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.156 -23.365 8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.007 -18.075 8.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.931 -22.237 6.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.673 -18.032 5.954 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.648 -20.089 5.070 1.00 0.00 H new ATOM 742 N TRP A 46 7.448 -19.271 10.944 1.00 0.00 N ATOM 743 CA TRP A 46 8.508 -18.343 11.322 1.00 0.00 C ATOM 744 C TRP A 46 8.203 -16.935 10.823 1.00 0.00 C ATOM 745 O TRP A 46 8.032 -16.714 9.625 1.00 0.00 O ATOM 746 CB TRP A 46 9.851 -18.816 10.761 1.00 0.00 C ATOM 747 CG TRP A 46 10.482 -19.906 11.573 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.012 -21.177 11.744 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.698 -19.821 12.324 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.863 -21.887 12.556 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.905 -21.078 12.925 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.633 -18.807 12.546 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.007 -21.344 13.733 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.726 -19.072 13.349 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.906 -20.333 13.934 1.00 0.00 C ATOM 0 H TRP A 46 7.625 -19.785 10.081 1.00 0.00 H new ATOM 0 HA TRP A 46 8.564 -18.318 12.410 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.706 -19.170 9.740 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.534 -17.968 10.710 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.105 -21.566 11.306 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.739 -22.859 12.838 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.504 -17.833 12.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.147 -22.315 14.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.454 -18.294 13.529 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.771 -20.510 14.556 1.00 0.00 H new ATOM 766 N ALA A 47 8.136 -15.985 11.751 1.00 0.00 N ATOM 767 CA ALA A 47 7.853 -14.598 11.404 1.00 0.00 C ATOM 768 C ALA A 47 9.050 -13.702 11.705 1.00 0.00 C ATOM 769 O ALA A 47 9.780 -13.926 12.671 1.00 0.00 O ATOM 770 CB ALA A 47 6.623 -14.107 12.153 1.00 0.00 C ATOM 0 H ALA A 47 8.274 -16.151 12.748 1.00 0.00 H new ATOM 0 HA ALA A 47 7.656 -14.550 10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.423 -13.070 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.764 -14.723 11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.799 -14.176 13.226 1.00 0.00 H new ATOM 776 N THR A 48 9.247 -12.686 10.870 1.00 0.00 N ATOM 777 CA THR A 48 10.357 -11.758 11.046 1.00 0.00 C ATOM 778 C THR A 48 9.873 -10.312 11.022 1.00 0.00 C ATOM 779 O THR A 48 9.043 -9.938 10.193 1.00 0.00 O ATOM 780 CB THR A 48 11.426 -11.947 9.953 1.00 0.00 C ATOM 781 OG1 THR A 48 11.627 -13.342 9.701 1.00 0.00 O ATOM 782 CG2 THR A 48 12.742 -11.306 10.367 1.00 0.00 C ATOM 0 H THR A 48 8.652 -12.485 10.066 1.00 0.00 H new ATOM 0 HA THR A 48 10.799 -11.975 12.018 1.00 0.00 H new ATOM 0 HB THR A 48 11.074 -11.461 9.043 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.307 -13.454 9.004 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.482 -11.452 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.592 -10.239 10.530 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.097 -11.767 11.289 1.00 0.00 H new ATOM 790 N LEU A 49 10.397 -9.503 11.937 1.00 0.00 N ATOM 791 CA LEU A 49 10.019 -8.097 12.020 1.00 0.00 C ATOM 792 C LEU A 49 10.994 -7.223 11.238 1.00 0.00 C ATOM 793 O LEU A 49 12.171 -7.123 11.585 1.00 0.00 O ATOM 794 CB LEU A 49 9.973 -7.647 13.482 1.00 0.00 C ATOM 795 CG LEU A 49 9.930 -6.137 13.718 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.635 -5.549 13.179 1.00 0.00 C ATOM 797 CD2 LEU A 49 10.084 -5.824 15.199 1.00 0.00 C ATOM 0 H LEU A 49 11.084 -9.797 12.631 1.00 0.00 H new ATOM 0 HA LEU A 49 9.028 -7.986 11.580 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.096 -8.093 13.951 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.848 -8.050 13.993 1.00 0.00 H new ATOM 0 HG LEU A 49 10.763 -5.681 13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.622 -4.474 13.356 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.566 -5.741 12.108 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.787 -6.010 13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.051 -4.745 15.348 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.273 -6.292 15.756 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.039 -6.210 15.555 1.00 0.00 H new ATOM 809 N LEU A 50 10.496 -6.590 10.181 1.00 0.00 N ATOM 810 CA LEU A 50 11.323 -5.722 9.350 1.00 0.00 C ATOM 811 C LEU A 50 10.902 -4.263 9.500 1.00 0.00 C ATOM 812 O LEU A 50 9.765 -3.969 9.867 1.00 0.00 O ATOM 813 CB LEU A 50 11.225 -6.144 7.883 1.00 0.00 C ATOM 814 CG LEU A 50 10.722 -7.564 7.625 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.561 -7.811 6.134 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.669 -8.586 8.238 1.00 0.00 C ATOM 0 H LEU A 50 9.524 -6.662 9.879 1.00 0.00 H new ATOM 0 HA LEU A 50 12.357 -5.819 9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.564 -5.447 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.211 -6.041 7.430 1.00 0.00 H new ATOM 0 HG LEU A 50 9.746 -7.674 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.202 -8.827 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.842 -7.102 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.523 -7.682 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.295 -9.591 8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.659 -8.476 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.732 -8.424 9.314 1.00 0.00 H new ATOM 828 N ASP A 51 11.827 -3.354 9.212 1.00 0.00 N ATOM 829 CA ASP A 51 11.552 -1.925 9.312 1.00 0.00 C ATOM 830 C ASP A 51 10.720 -1.448 8.126 1.00 0.00 C ATOM 831 O ASP A 51 10.372 -2.233 7.245 1.00 0.00 O ATOM 832 CB ASP A 51 12.860 -1.136 9.383 1.00 0.00 C ATOM 833 CG ASP A 51 12.746 0.097 10.258 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.182 -0.013 11.367 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.221 1.171 9.834 1.00 0.00 O ATOM 0 H ASP A 51 12.774 -3.581 8.907 1.00 0.00 H new ATOM 0 HA ASP A 51 10.983 -1.753 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.649 -1.781 9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.156 -0.838 8.377 1.00 0.00 H new ATOM 840 N GLU A 52 10.403 -0.157 8.113 1.00 0.00 N ATOM 841 CA GLU A 52 9.610 0.423 7.036 1.00 0.00 C ATOM 842 C GLU A 52 10.293 0.221 5.687 1.00 0.00 C ATOM 843 O GLU A 52 9.634 0.149 4.650 1.00 0.00 O ATOM 844 CB GLU A 52 9.384 1.916 7.286 1.00 0.00 C ATOM 845 CG GLU A 52 10.670 2.705 7.465 1.00 0.00 C ATOM 846 CD GLU A 52 10.471 4.196 7.276 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.899 4.592 6.239 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.887 4.967 8.166 1.00 0.00 O ATOM 0 H GLU A 52 10.683 0.506 8.836 1.00 0.00 H new ATOM 0 HA GLU A 52 8.646 -0.085 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.824 2.335 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.766 2.037 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.070 2.519 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.413 2.348 6.752 1.00 0.00 H new ATOM 855 N ALA A 53 11.619 0.130 5.709 1.00 0.00 N ATOM 856 CA ALA A 53 12.392 -0.065 4.489 1.00 0.00 C ATOM 857 C ALA A 53 12.389 -1.530 4.066 1.00 0.00 C ATOM 858 O ALA A 53 12.689 -1.856 2.918 1.00 0.00 O ATOM 859 CB ALA A 53 13.818 0.428 4.683 1.00 0.00 C ATOM 0 H ALA A 53 12.180 0.188 6.559 1.00 0.00 H new ATOM 0 HA ALA A 53 11.924 0.516 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.384 0.276 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.806 1.490 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.288 -0.128 5.494 1.00 0.00 H new ATOM 865 N GLY A 54 12.050 -2.411 5.002 1.00 0.00 N ATOM 866 CA GLY A 54 12.016 -3.832 4.707 1.00 0.00 C ATOM 867 C GLY A 54 13.171 -4.583 5.339 1.00 0.00 C ATOM 868 O GLY A 54 13.175 -5.813 5.375 1.00 0.00 O ATOM 0 H GLY A 54 11.798 -2.166 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.075 -4.252 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.040 -3.976 3.627 1.00 0.00 H new ATOM 872 N GLY A 55 14.156 -3.841 5.837 1.00 0.00 N ATOM 873 CA GLY A 55 15.309 -4.462 6.462 1.00 0.00 C ATOM 874 C GLY A 55 14.947 -5.221 7.723 1.00 0.00 C ATOM 875 O GLY A 55 14.420 -4.644 8.673 1.00 0.00 O ATOM 0 H GLY A 55 14.176 -2.821 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.779 -5.144 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.045 -3.695 6.702 1.00 0.00 H new ATOM 879 N ALA A 56 15.227 -6.520 7.731 1.00 0.00 N ATOM 880 CA ALA A 56 14.928 -7.359 8.885 1.00 0.00 C ATOM 881 C ALA A 56 15.497 -6.756 10.165 1.00 0.00 C ATOM 882 O ALA A 56 16.456 -5.985 10.127 1.00 0.00 O ATOM 883 CB ALA A 56 15.474 -8.764 8.672 1.00 0.00 C ATOM 0 H ALA A 56 15.661 -7.014 6.951 1.00 0.00 H new ATOM 0 HA ALA A 56 13.845 -7.415 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.244 -9.380 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.015 -9.202 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.555 -8.718 8.536 1.00 0.00 H new ATOM 889 N VAL A 57 14.899 -7.112 11.297 1.00 0.00 N ATOM 890 CA VAL A 57 15.346 -6.606 12.589 1.00 0.00 C ATOM 891 C VAL A 57 15.264 -7.687 13.662 1.00 0.00 C ATOM 892 O VAL A 57 16.285 -8.174 14.146 1.00 0.00 O ATOM 893 CB VAL A 57 14.512 -5.391 13.036 1.00 0.00 C ATOM 894 CG1 VAL A 57 15.114 -4.757 14.280 1.00 0.00 C ATOM 895 CG2 VAL A 57 14.405 -4.375 11.908 1.00 0.00 C ATOM 0 H VAL A 57 14.104 -7.749 11.346 1.00 0.00 H new ATOM 0 HA VAL A 57 16.384 -6.299 12.465 1.00 0.00 H new ATOM 0 HB VAL A 57 13.507 -5.734 13.283 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.511 -3.900 14.580 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.133 -5.488 15.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.130 -4.427 14.065 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.812 -3.523 12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.402 -4.036 11.628 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.923 -4.837 11.046 1.00 0.00 H new ATOM 905 N ALA A 58 14.041 -8.057 14.028 1.00 0.00 N ATOM 906 CA ALA A 58 13.825 -9.083 15.041 1.00 0.00 C ATOM 907 C ALA A 58 13.406 -10.403 14.405 1.00 0.00 C ATOM 908 O ALA A 58 12.887 -10.427 13.289 1.00 0.00 O ATOM 909 CB ALA A 58 12.778 -8.621 16.043 1.00 0.00 C ATOM 0 H ALA A 58 13.185 -7.662 13.638 1.00 0.00 H new ATOM 0 HA ALA A 58 14.767 -9.246 15.565 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.626 -9.396 16.794 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.118 -7.707 16.529 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.838 -8.429 15.525 1.00 0.00 H new ATOM 915 N GLN A 59 13.634 -11.499 15.121 1.00 0.00 N ATOM 916 CA GLN A 59 13.281 -12.824 14.625 1.00 0.00 C ATOM 917 C GLN A 59 12.550 -13.629 15.694 1.00 0.00 C ATOM 918 O GLN A 59 12.919 -13.600 16.867 1.00 0.00 O ATOM 919 CB GLN A 59 14.535 -13.574 14.173 1.00 0.00 C ATOM 920 CG GLN A 59 15.484 -12.726 13.341 1.00 0.00 C ATOM 921 CD GLN A 59 16.560 -12.063 14.178 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.725 -10.843 14.144 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.299 -12.864 14.936 1.00 0.00 N ATOM 0 H GLN A 59 14.062 -11.496 16.047 1.00 0.00 H new ATOM 0 HA GLN A 59 12.614 -12.699 13.772 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.065 -13.942 15.052 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.237 -14.447 13.592 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.953 -13.352 12.582 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.914 -11.960 12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.128 -13.870 14.933 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.038 -12.474 15.521 1.00 0.00 H new ATOM 932 N GLY A 60 11.511 -14.348 15.280 1.00 0.00 N ATOM 933 CA GLY A 60 10.744 -15.150 16.215 1.00 0.00 C ATOM 934 C GLY A 60 9.684 -15.987 15.527 1.00 0.00 C ATOM 935 O GLY A 60 9.050 -15.537 14.573 1.00 0.00 O ATOM 0 H GLY A 60 11.187 -14.389 14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.419 -15.805 16.766 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.268 -14.495 16.945 1.00 0.00 H new ATOM 939 N TYR A 61 9.492 -17.209 16.011 1.00 0.00 N ATOM 940 CA TYR A 61 8.504 -18.113 15.434 1.00 0.00 C ATOM 941 C TYR A 61 7.249 -18.173 16.300 1.00 0.00 C ATOM 942 O TYR A 61 7.327 -18.174 17.528 1.00 0.00 O ATOM 943 CB TYR A 61 9.095 -19.515 15.276 1.00 0.00 C ATOM 944 CG TYR A 61 9.521 -20.144 16.583 1.00 0.00 C ATOM 945 CD1 TYR A 61 8.596 -20.776 17.406 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.847 -20.105 16.996 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.980 -21.352 18.601 1.00 0.00 C ATOM 948 CE2 TYR A 61 11.240 -20.679 18.190 1.00 0.00 C ATOM 949 CZ TYR A 61 10.303 -21.301 18.989 1.00 0.00 C ATOM 950 OH TYR A 61 10.691 -21.873 20.179 1.00 0.00 O ATOM 0 H TYR A 61 10.007 -17.596 16.801 1.00 0.00 H new ATOM 0 HA TYR A 61 8.228 -17.729 14.452 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.358 -20.159 14.796 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.956 -19.464 14.609 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.559 -20.817 17.106 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.583 -19.618 16.373 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.249 -21.840 19.228 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.275 -20.641 18.496 1.00 0.00 H new ATOM 0 HH TYR A 61 11.655 -21.750 20.302 1.00 0.00 H new ATOM 960 N VAL A 62 6.091 -18.224 15.649 1.00 0.00 N ATOM 961 CA VAL A 62 4.818 -18.286 16.357 1.00 0.00 C ATOM 962 C VAL A 62 3.755 -18.984 15.516 1.00 0.00 C ATOM 963 O VAL A 62 3.834 -19.036 14.289 1.00 0.00 O ATOM 964 CB VAL A 62 4.317 -16.880 16.735 1.00 0.00 C ATOM 965 CG1 VAL A 62 5.059 -16.358 17.956 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.471 -15.926 15.560 1.00 0.00 C ATOM 0 H VAL A 62 6.008 -18.224 14.632 1.00 0.00 H new ATOM 0 HA VAL A 62 4.990 -18.859 17.268 1.00 0.00 H new ATOM 0 HB VAL A 62 3.258 -16.946 16.984 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.691 -15.363 18.208 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.893 -17.030 18.798 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.126 -16.306 17.739 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.112 -14.937 15.845 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.522 -15.863 15.278 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.890 -16.293 14.714 1.00 0.00 H new ATOM 976 N PRO A 63 2.733 -19.532 16.190 1.00 0.00 N ATOM 977 CA PRO A 63 1.633 -20.236 15.525 1.00 0.00 C ATOM 978 C PRO A 63 0.733 -19.291 14.737 1.00 0.00 C ATOM 979 O PRO A 63 0.608 -18.112 15.072 1.00 0.00 O ATOM 980 CB PRO A 63 0.860 -20.866 16.687 1.00 0.00 C ATOM 981 CG PRO A 63 1.168 -19.999 17.859 1.00 0.00 C ATOM 982 CD PRO A 63 2.574 -19.508 17.654 1.00 0.00 C ATOM 0 HA PRO A 63 1.995 -20.959 14.794 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.210 -20.891 16.483 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.176 -21.895 16.861 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.469 -19.165 17.922 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.082 -20.558 18.791 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.712 -18.505 18.057 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.301 -20.153 18.148 1.00 0.00 H new ATOM 990 N HIS A 64 0.106 -19.815 13.688 1.00 0.00 N ATOM 991 CA HIS A 64 -0.784 -19.017 12.852 1.00 0.00 C ATOM 992 C HIS A 64 -1.901 -18.397 13.686 1.00 0.00 C ATOM 993 O HIS A 64 -2.476 -17.376 13.310 1.00 0.00 O ATOM 994 CB HIS A 64 -1.381 -19.878 11.739 1.00 0.00 C ATOM 995 CG HIS A 64 -2.020 -21.139 12.234 1.00 0.00 C ATOM 996 ND1 HIS A 64 -1.469 -22.389 12.039 1.00 0.00 N ATOM 997 CD2 HIS A 64 -3.168 -21.339 12.922 1.00 0.00 C ATOM 998 CE1 HIS A 64 -2.253 -23.302 12.584 1.00 0.00 C ATOM 999 NE2 HIS A 64 -3.290 -22.691 13.127 1.00 0.00 N ATOM 0 H HIS A 64 0.198 -20.788 13.397 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.199 -18.213 12.405 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.124 -19.293 11.197 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.596 -20.133 11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.860 -20.577 13.249 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.076 -24.367 12.585 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.057 -23.149 13.619 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.204 -19.022 14.820 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.253 -18.532 15.706 1.00 0.00 C ATOM 1009 C ASN A 65 -2.801 -17.273 16.440 1.00 0.00 C ATOM 1010 O ASN A 65 -3.623 -16.503 16.938 1.00 0.00 O ATOM 1011 CB ASN A 65 -3.642 -19.613 16.717 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.069 -19.459 17.207 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.305 -19.091 18.358 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.028 -19.742 16.333 1.00 0.00 N ATOM 0 H ASN A 65 -1.738 -19.868 15.146 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.122 -18.284 15.097 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.522 -20.595 16.259 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.962 -19.573 17.568 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.007 -19.658 16.605 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.785 -20.044 15.389 1.00 0.00 H new ATOM 1021 N TYR A 66 -1.490 -17.070 16.503 1.00 0.00 N ATOM 1022 CA TYR A 66 -0.928 -15.906 17.177 1.00 0.00 C ATOM 1023 C TYR A 66 -1.110 -14.647 16.334 1.00 0.00 C ATOM 1024 O TYR A 66 -1.812 -13.716 16.731 1.00 0.00 O ATOM 1025 CB TYR A 66 0.557 -16.127 17.469 1.00 0.00 C ATOM 1026 CG TYR A 66 0.937 -15.860 18.908 1.00 0.00 C ATOM 1027 CD1 TYR A 66 0.271 -16.491 19.952 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.964 -14.979 19.224 1.00 0.00 C ATOM 1029 CE1 TYR A 66 0.615 -16.250 21.268 1.00 0.00 C ATOM 1030 CE2 TYR A 66 2.315 -14.732 20.537 1.00 0.00 C ATOM 1031 CZ TYR A 66 1.638 -15.370 21.556 1.00 0.00 C ATOM 1032 OH TYR A 66 1.984 -15.128 22.865 1.00 0.00 O ATOM 0 H TYR A 66 -0.796 -17.697 16.095 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.461 -15.771 18.118 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.819 -17.155 17.217 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.147 -15.480 16.820 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.529 -17.182 19.731 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.497 -14.479 18.429 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.086 -16.748 22.067 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.115 -14.043 20.765 1.00 0.00 H new ATOM 0 HH TYR A 66 2.872 -14.714 22.898 1.00 0.00 H new ATOM 1042 N LEU A 67 -0.473 -14.627 15.169 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.564 -13.483 14.267 1.00 0.00 C ATOM 1044 C LEU A 67 -1.683 -13.680 13.250 1.00 0.00 C ATOM 1045 O LEU A 67 -2.140 -14.800 13.024 1.00 0.00 O ATOM 1046 CB LEU A 67 0.768 -13.272 13.544 1.00 0.00 C ATOM 1047 CG LEU A 67 1.655 -12.150 14.084 1.00 0.00 C ATOM 1048 CD1 LEU A 67 3.116 -12.574 14.075 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.461 -10.879 13.271 1.00 0.00 C ATOM 0 H LEU A 67 0.112 -15.389 14.826 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.791 -12.598 14.862 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.331 -14.204 13.584 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.560 -13.070 12.493 1.00 0.00 H new ATOM 0 HG LEU A 67 1.364 -11.946 15.114 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.733 -11.763 14.463 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.242 -13.457 14.701 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.421 -12.806 13.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.100 -10.091 13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.725 -11.069 12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.419 -10.565 13.330 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.118 -12.584 12.638 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.181 -12.636 11.641 1.00 0.00 C ATOM 1063 C ALA A 68 -2.643 -12.327 10.248 1.00 0.00 C ATOM 1064 O ALA A 68 -1.715 -11.533 10.094 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.295 -11.666 12.006 1.00 0.00 C ATOM 0 H ALA A 68 -1.751 -11.649 12.815 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.585 -13.648 11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.082 -11.715 11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.707 -11.934 12.979 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.896 -10.653 12.048 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.230 -12.960 9.238 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.808 -12.752 7.858 1.00 0.00 C ATOM 1073 C GLU A 69 -3.571 -11.593 7.223 1.00 0.00 C ATOM 1074 O GLU A 69 -4.718 -11.322 7.580 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.020 -14.027 7.039 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.478 -14.439 6.921 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.899 -15.411 8.007 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.368 -16.541 8.030 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.759 -15.041 8.833 1.00 0.00 O ATOM 0 H GLU A 69 -3.999 -13.621 9.349 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.746 -12.504 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.611 -13.879 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.457 -14.841 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.108 -13.551 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.645 -14.895 5.945 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.927 -10.913 6.281 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.544 -9.783 5.597 1.00 0.00 C ATOM 1088 C ARG A 70 -3.254 -9.828 4.100 1.00 0.00 C ATOM 1089 O ARG A 70 -2.686 -8.892 3.540 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.036 -8.465 6.186 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.777 -8.033 7.441 1.00 0.00 C ATOM 1092 CD ARG A 70 -5.153 -7.477 7.112 1.00 0.00 C ATOM 1093 NE ARG A 70 -6.017 -7.422 8.289 1.00 0.00 N ATOM 1094 CZ ARG A 70 -7.313 -7.136 8.237 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.892 -6.882 7.072 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -8.032 -7.106 9.352 1.00 0.00 N ATOM 0 H ARG A 70 -1.978 -11.125 5.974 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.622 -9.848 5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.975 -8.565 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.126 -7.682 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.879 -8.883 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.194 -7.277 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.049 -6.477 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.621 -8.097 6.347 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.602 -7.614 9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.342 -6.906 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.887 -6.663 7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.589 -7.303 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.027 -6.886 9.311 1.00 0.00 H new