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+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -133:sc= -0.718 USER MOD Single : A 23 THR OG1 : rot 171:sc= 0.123 USER MOD Single : A 28 SER OG : rot 57:sc= 0.118 USER MOD Single : A 36 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.29) 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 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -71:sc= 0.0637 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.328 F(o=-1.6,f=-0.33) USER MOD Single : A 65 ASN : amide:sc= -0.0742 K(o=-0.074,f=-1.8!) USER MOD Single : A 66 TYR OH : rot -50:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 2.466 -9.202 3.452 1.00 0.00 N ATOM 166 CA LYS A 12 2.516 -8.602 4.780 1.00 0.00 C ATOM 167 C LYS A 12 1.591 -9.338 5.745 1.00 0.00 C ATOM 168 O LYS A 12 0.457 -9.671 5.401 1.00 0.00 O ATOM 169 CB LYS A 12 2.124 -7.125 4.710 1.00 0.00 C ATOM 170 CG LYS A 12 3.290 -6.201 4.399 1.00 0.00 C ATOM 171 CD LYS A 12 3.599 -6.174 2.912 1.00 0.00 C ATOM 172 CE LYS A 12 5.056 -5.824 2.652 1.00 0.00 C ATOM 173 NZ LYS A 12 5.319 -4.370 2.840 1.00 0.00 N ATOM 0 HA LYS A 12 3.538 -8.684 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.356 -6.997 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.681 -6.830 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.058 -5.193 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.172 -6.529 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.374 -7.147 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.955 -5.446 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.693 -6.398 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.323 -6.113 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.323 -4.172 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.730 -3.823 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.088 -4.099 3.817 1.00 0.00 H new ATOM 187 N TYR A 13 2.083 -9.589 6.953 1.00 0.00 N ATOM 188 CA TYR A 13 1.301 -10.286 7.967 1.00 0.00 C ATOM 189 C TYR A 13 1.020 -9.377 9.159 1.00 0.00 C ATOM 190 O TYR A 13 1.898 -8.647 9.619 1.00 0.00 O ATOM 191 CB TYR A 13 2.037 -11.544 8.433 1.00 0.00 C ATOM 192 CG TYR A 13 1.960 -12.690 7.450 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.827 -13.491 7.374 1.00 0.00 C ATOM 194 CD2 TYR A 13 3.019 -12.971 6.596 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.753 -14.540 6.478 1.00 0.00 C ATOM 196 CE2 TYR A 13 2.953 -14.017 5.695 1.00 0.00 C ATOM 197 CZ TYR A 13 1.818 -14.798 5.641 1.00 0.00 C ATOM 198 OH TYR A 13 1.747 -15.841 4.746 1.00 0.00 O ATOM 0 H TYR A 13 3.020 -9.320 7.254 1.00 0.00 H new ATOM 0 HA TYR A 13 0.349 -10.574 7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.084 -11.298 8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.620 -11.866 9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.010 -13.290 8.026 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.910 -12.361 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.134 -15.155 6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.785 -14.221 5.037 1.00 0.00 H new ATOM 0 HH TYR A 13 2.579 -15.887 4.230 1.00 0.00 H new ATOM 208 N VAL A 14 -0.212 -9.427 9.656 1.00 0.00 N ATOM 209 CA VAL A 14 -0.611 -8.610 10.796 1.00 0.00 C ATOM 210 C VAL A 14 -1.373 -9.437 11.825 1.00 0.00 C ATOM 211 O VAL A 14 -2.227 -10.250 11.474 1.00 0.00 O ATOM 212 CB VAL A 14 -1.487 -7.423 10.356 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.116 -6.746 11.565 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.670 -6.429 9.544 1.00 0.00 C ATOM 0 H VAL A 14 -0.951 -10.025 9.287 1.00 0.00 H new ATOM 0 HA VAL A 14 0.304 -8.228 11.248 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.289 -7.802 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.732 -5.909 11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.737 -7.463 12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.331 -6.380 12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.306 -5.597 9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.154 -6.054 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.273 -6.923 8.657 1.00 0.00 H new ATOM 224 N GLY A 15 -1.060 -9.222 13.099 1.00 0.00 N ATOM 225 CA GLY A 15 -1.725 -9.955 14.160 1.00 0.00 C ATOM 226 C GLY A 15 -0.826 -10.183 15.359 1.00 0.00 C ATOM 227 O GLY A 15 -0.749 -11.294 15.885 1.00 0.00 O ATOM 0 H GLY A 15 -0.358 -8.553 13.415 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.613 -9.407 14.475 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.064 -10.917 13.776 1.00 0.00 H new ATOM 231 N LEU A 16 -0.142 -9.129 15.793 1.00 0.00 N ATOM 232 CA LEU A 16 0.758 -9.220 16.937 1.00 0.00 C ATOM 233 C LEU A 16 0.469 -8.113 17.946 1.00 0.00 C ATOM 234 O LEU A 16 1.220 -7.143 18.050 1.00 0.00 O ATOM 235 CB LEU A 16 2.213 -9.136 16.474 1.00 0.00 C ATOM 236 CG LEU A 16 2.906 -10.469 16.192 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.091 -11.298 15.211 1.00 0.00 C ATOM 238 CD2 LEU A 16 4.312 -10.238 15.657 1.00 0.00 C ATOM 0 H LEU A 16 -0.194 -8.202 15.370 1.00 0.00 H new ATOM 0 HA LEU A 16 0.593 -10.182 17.423 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.251 -8.531 15.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.785 -8.606 17.235 1.00 0.00 H new ATOM 0 HG LEU A 16 2.981 -11.021 17.129 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.600 -12.243 15.023 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.105 -11.495 15.632 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.983 -10.751 14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.790 -11.198 15.462 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.259 -9.664 14.732 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.895 -9.686 16.394 1.00 0.00 H new ATOM 250 N TRP A 17 -0.623 -8.265 18.687 1.00 0.00 N ATOM 251 CA TRP A 17 -1.009 -7.279 19.689 1.00 0.00 C ATOM 252 C TRP A 17 0.185 -6.878 20.547 1.00 0.00 C ATOM 253 O TRP A 17 1.201 -7.572 20.577 1.00 0.00 O ATOM 254 CB TRP A 17 -2.126 -7.834 20.575 1.00 0.00 C ATOM 255 CG TRP A 17 -3.031 -6.773 21.124 1.00 0.00 C ATOM 256 CD1 TRP A 17 -3.928 -6.018 20.424 1.00 0.00 C ATOM 257 CD2 TRP A 17 -3.125 -6.348 22.488 1.00 0.00 C ATOM 258 NE1 TRP A 17 -4.574 -5.150 21.270 1.00 0.00 N ATOM 259 CE2 TRP A 17 -4.100 -5.333 22.542 1.00 0.00 C ATOM 260 CE3 TRP A 17 -2.482 -6.727 23.669 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -4.444 -4.694 23.731 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -2.824 -6.092 24.848 1.00 0.00 C ATOM 263 CH2 TRP A 17 -3.798 -5.085 24.872 1.00 0.00 C ATOM 0 H TRP A 17 -1.256 -9.061 18.613 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.372 -6.392 19.169 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.719 -8.544 19.998 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.682 -8.387 21.403 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.104 -6.092 19.361 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.291 -4.478 20.996 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.731 -7.503 23.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -5.194 -3.917 23.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.332 -6.377 25.766 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -4.044 -4.608 25.809 1.00 0.00 H new ATOM 274 N ASP A 18 0.057 -5.754 21.244 1.00 0.00 N ATOM 275 CA ASP A 18 1.126 -5.261 22.104 1.00 0.00 C ATOM 276 C ASP A 18 1.645 -6.369 23.015 1.00 0.00 C ATOM 277 O ASP A 18 1.023 -6.699 24.025 1.00 0.00 O ATOM 278 CB ASP A 18 0.631 -4.083 22.944 1.00 0.00 C ATOM 279 CG ASP A 18 1.759 -3.165 23.375 1.00 0.00 C ATOM 280 OD1 ASP A 18 2.111 -2.252 22.600 1.00 0.00 O ATOM 281 OD2 ASP A 18 2.289 -3.360 24.489 1.00 0.00 O ATOM 0 H ASP A 18 -0.777 -5.167 21.230 1.00 0.00 H new ATOM 0 HA ASP A 18 1.945 -4.925 21.468 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.099 -3.512 22.370 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.116 -4.461 23.827 1.00 0.00 H new ATOM 286 N PHE A 19 2.788 -6.940 22.650 1.00 0.00 N ATOM 287 CA PHE A 19 3.390 -8.013 23.434 1.00 0.00 C ATOM 288 C PHE A 19 4.912 -7.980 23.322 1.00 0.00 C ATOM 289 O PHE A 19 5.469 -8.102 22.231 1.00 0.00 O ATOM 290 CB PHE A 19 2.863 -9.372 22.967 1.00 0.00 C ATOM 291 CG PHE A 19 1.602 -9.797 23.663 1.00 0.00 C ATOM 292 CD1 PHE A 19 1.602 -10.059 25.024 1.00 0.00 C ATOM 293 CD2 PHE A 19 0.418 -9.934 22.958 1.00 0.00 C ATOM 294 CE1 PHE A 19 0.443 -10.451 25.667 1.00 0.00 C ATOM 295 CE2 PHE A 19 -0.744 -10.326 23.596 1.00 0.00 C ATOM 296 CZ PHE A 19 -0.732 -10.584 24.952 1.00 0.00 C ATOM 0 H PHE A 19 3.316 -6.678 21.817 1.00 0.00 H new ATOM 0 HA PHE A 19 3.116 -7.864 24.478 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.680 -9.332 21.893 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.632 -10.127 23.132 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.517 -9.956 25.588 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.402 -9.732 21.897 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.456 -10.653 26.728 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.660 -10.430 23.034 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.639 -10.889 25.453 1.00 0.00 H new ATOM 306 N LYS A 20 5.579 -7.813 24.459 1.00 0.00 N ATOM 307 CA LYS A 20 7.035 -7.764 24.493 1.00 0.00 C ATOM 308 C LYS A 20 7.597 -8.873 25.376 1.00 0.00 C ATOM 309 O LYS A 20 7.573 -8.775 26.603 1.00 0.00 O ATOM 310 CB LYS A 20 7.509 -6.401 25.004 1.00 0.00 C ATOM 311 CG LYS A 20 7.315 -5.275 24.003 1.00 0.00 C ATOM 312 CD LYS A 20 5.938 -4.645 24.133 1.00 0.00 C ATOM 313 CE LYS A 20 5.668 -3.660 23.006 1.00 0.00 C ATOM 314 NZ LYS A 20 6.327 -2.347 23.247 1.00 0.00 N ATOM 0 H LYS A 20 5.133 -7.709 25.370 1.00 0.00 H new ATOM 0 HA LYS A 20 7.402 -7.912 23.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.970 -6.158 25.920 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.566 -6.467 25.264 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.080 -4.514 24.157 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.446 -5.659 22.992 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.177 -5.426 24.126 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.860 -4.133 25.092 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.025 -4.078 22.065 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.593 -3.513 22.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.119 -1.704 22.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.968 -1.936 24.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.355 -2.483 23.321 1.00 0.00 H new ATOM 328 N SER A 21 8.104 -9.927 24.744 1.00 0.00 N ATOM 329 CA SER A 21 8.670 -11.056 25.474 1.00 0.00 C ATOM 330 C SER A 21 10.184 -10.915 25.603 1.00 0.00 C ATOM 331 O SER A 21 10.775 -9.960 25.099 1.00 0.00 O ATOM 332 CB SER A 21 8.328 -12.370 24.768 1.00 0.00 C ATOM 333 OG SER A 21 7.058 -12.851 25.175 1.00 0.00 O ATOM 0 H SER A 21 8.134 -10.023 23.729 1.00 0.00 H new ATOM 0 HA SER A 21 8.236 -11.065 26.474 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.335 -12.219 23.689 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.091 -13.116 24.990 1.00 0.00 H new ATOM 0 HG SER A 21 7.123 -13.805 25.388 1.00 0.00 H new ATOM 339 N ARG A 22 10.805 -11.874 26.282 1.00 0.00 N ATOM 340 CA ARG A 22 12.249 -11.857 26.480 1.00 0.00 C ATOM 341 C ARG A 22 12.892 -13.113 25.900 1.00 0.00 C ATOM 342 O ARG A 22 13.960 -13.539 26.342 1.00 0.00 O ATOM 343 CB ARG A 22 12.581 -11.743 27.969 1.00 0.00 C ATOM 344 CG ARG A 22 11.747 -12.659 28.850 1.00 0.00 C ATOM 345 CD ARG A 22 12.186 -14.109 28.718 1.00 0.00 C ATOM 346 NE ARG A 22 11.881 -14.885 29.918 1.00 0.00 N ATOM 347 CZ ARG A 22 10.666 -15.331 30.215 1.00 0.00 C ATOM 348 NH1 ARG A 22 9.648 -15.081 29.404 1.00 0.00 N ATOM 349 NH2 ARG A 22 10.468 -16.030 31.325 1.00 0.00 N ATOM 0 H ARG A 22 10.331 -12.672 26.704 1.00 0.00 H new ATOM 0 HA ARG A 22 12.651 -10.989 25.958 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.636 -11.973 28.116 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.432 -10.711 28.288 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.835 -12.344 29.890 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.695 -12.570 28.577 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.691 -14.561 27.859 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.258 -14.147 28.524 1.00 0.00 H new ATOM 0 HE ARG A 22 12.643 -15.096 30.563 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.797 -14.545 28.549 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.716 -15.425 29.635 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.249 -16.225 31.951 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.534 -16.372 31.552 1.00 0.00 H new ATOM 363 N THR A 23 12.234 -13.704 24.907 1.00 0.00 N ATOM 364 CA THR A 23 12.740 -14.912 24.268 1.00 0.00 C ATOM 365 C THR A 23 12.464 -14.897 22.768 1.00 0.00 C ATOM 366 O THR A 23 11.585 -14.177 22.297 1.00 0.00 O ATOM 367 CB THR A 23 12.112 -16.178 24.881 1.00 0.00 C ATOM 368 OG1 THR A 23 10.758 -15.914 25.268 1.00 0.00 O ATOM 369 CG2 THR A 23 12.908 -16.645 26.090 1.00 0.00 C ATOM 0 H THR A 23 11.350 -13.365 24.528 1.00 0.00 H new ATOM 0 HA THR A 23 13.817 -14.931 24.437 1.00 0.00 H new ATOM 0 HB THR A 23 12.128 -16.967 24.129 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.318 -16.755 25.514 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.446 -17.540 26.506 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.930 -16.872 25.787 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.919 -15.858 26.844 1.00 0.00 H new ATOM 377 N ASP A 24 13.220 -15.697 22.025 1.00 0.00 N ATOM 378 CA ASP A 24 13.056 -15.777 20.578 1.00 0.00 C ATOM 379 C ASP A 24 11.720 -16.420 20.218 1.00 0.00 C ATOM 380 O ASP A 24 11.161 -16.156 19.154 1.00 0.00 O ATOM 381 CB ASP A 24 14.204 -16.574 19.956 1.00 0.00 C ATOM 382 CG ASP A 24 15.492 -15.778 19.891 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.508 -14.728 19.215 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.485 -16.205 20.516 1.00 0.00 O ATOM 0 H ASP A 24 13.952 -16.299 22.400 1.00 0.00 H new ATOM 0 HA ASP A 24 13.071 -14.763 20.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.370 -17.481 20.537 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.922 -16.887 18.951 1.00 0.00 H new ATOM 389 N GLU A 25 11.216 -17.265 21.111 1.00 0.00 N ATOM 390 CA GLU A 25 9.947 -17.947 20.885 1.00 0.00 C ATOM 391 C GLU A 25 8.818 -16.941 20.677 1.00 0.00 C ATOM 392 O GLU A 25 7.790 -17.261 20.083 1.00 0.00 O ATOM 393 CB GLU A 25 9.617 -18.863 22.066 1.00 0.00 C ATOM 394 CG GLU A 25 9.074 -18.123 23.277 1.00 0.00 C ATOM 395 CD GLU A 25 8.907 -19.025 24.484 1.00 0.00 C ATOM 396 OE1 GLU A 25 8.389 -20.149 24.319 1.00 0.00 O ATOM 397 OE2 GLU A 25 9.294 -18.606 25.595 1.00 0.00 O ATOM 0 H GLU A 25 11.666 -17.494 21.997 1.00 0.00 H new ATOM 0 HA GLU A 25 10.044 -18.550 19.982 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.885 -19.605 21.746 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.516 -19.406 22.356 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.748 -17.304 23.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.112 -17.678 23.025 1.00 0.00 H new ATOM 404 N GLU A 26 9.020 -15.724 21.172 1.00 0.00 N ATOM 405 CA GLU A 26 8.019 -14.671 21.041 1.00 0.00 C ATOM 406 C GLU A 26 8.620 -13.425 20.397 1.00 0.00 C ATOM 407 O GLU A 26 9.834 -13.218 20.434 1.00 0.00 O ATOM 408 CB GLU A 26 7.435 -14.319 22.411 1.00 0.00 C ATOM 409 CG GLU A 26 6.227 -15.158 22.792 1.00 0.00 C ATOM 410 CD GLU A 26 5.227 -14.392 23.635 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.777 -13.315 23.189 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.894 -14.867 24.741 1.00 0.00 O ATOM 0 H GLU A 26 9.866 -15.443 21.667 1.00 0.00 H new ATOM 0 HA GLU A 26 7.221 -15.042 20.398 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.208 -14.445 23.169 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.152 -13.266 22.416 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.736 -15.513 21.886 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.560 -16.039 23.341 1.00 0.00 H new ATOM 419 N LEU A 27 7.763 -12.600 19.806 1.00 0.00 N ATOM 420 CA LEU A 27 8.208 -11.374 19.153 1.00 0.00 C ATOM 421 C LEU A 27 8.056 -10.175 20.083 1.00 0.00 C ATOM 422 O LEU A 27 7.163 -10.143 20.930 1.00 0.00 O ATOM 423 CB LEU A 27 7.413 -11.141 17.867 1.00 0.00 C ATOM 424 CG LEU A 27 7.881 -11.921 16.638 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.317 -11.561 16.291 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.747 -13.418 16.873 1.00 0.00 C ATOM 0 H LEU A 27 6.756 -12.758 19.766 1.00 0.00 H new ATOM 0 HA LEU A 27 9.264 -11.486 18.905 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.370 -11.394 18.058 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.445 -10.077 17.631 1.00 0.00 H new ATOM 0 HG LEU A 27 7.246 -11.647 15.795 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.632 -12.126 15.414 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.383 -10.494 16.078 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.966 -11.804 17.132 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.085 -13.957 15.988 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.357 -13.708 17.729 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.704 -13.663 17.071 1.00 0.00 H new ATOM 438 N SER A 28 8.932 -9.189 19.917 1.00 0.00 N ATOM 439 CA SER A 28 8.897 -7.988 20.743 1.00 0.00 C ATOM 440 C SER A 28 8.473 -6.775 19.920 1.00 0.00 C ATOM 441 O SER A 28 9.302 -5.948 19.541 1.00 0.00 O ATOM 442 CB SER A 28 10.267 -7.737 21.375 1.00 0.00 C ATOM 443 OG SER A 28 11.299 -7.829 20.407 1.00 0.00 O ATOM 0 H SER A 28 9.675 -9.198 19.218 1.00 0.00 H new ATOM 0 HA SER A 28 8.164 -8.143 21.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.283 -6.749 21.836 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.443 -8.462 22.169 1.00 0.00 H new ATOM 0 HG SER A 28 11.123 -7.196 19.680 1.00 0.00 H new ATOM 449 N PHE A 29 7.176 -6.678 19.646 1.00 0.00 N ATOM 450 CA PHE A 29 6.641 -5.567 18.867 1.00 0.00 C ATOM 451 C PHE A 29 5.143 -5.408 19.106 1.00 0.00 C ATOM 452 O PHE A 29 4.485 -6.313 19.620 1.00 0.00 O ATOM 453 CB PHE A 29 6.911 -5.786 17.377 1.00 0.00 C ATOM 454 CG PHE A 29 8.070 -4.986 16.854 1.00 0.00 C ATOM 455 CD1 PHE A 29 7.924 -3.639 16.562 1.00 0.00 C ATOM 456 CD2 PHE A 29 9.305 -5.581 16.653 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.989 -2.900 16.082 1.00 0.00 C ATOM 458 CE2 PHE A 29 10.373 -4.847 16.173 1.00 0.00 C ATOM 459 CZ PHE A 29 10.214 -3.506 15.886 1.00 0.00 C ATOM 0 H PHE A 29 6.477 -7.355 19.952 1.00 0.00 H new ATOM 0 HA PHE A 29 7.141 -4.654 19.190 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.102 -6.845 17.202 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.016 -5.526 16.812 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.967 -3.161 16.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.434 -6.630 16.874 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.863 -1.850 15.861 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.331 -5.322 16.023 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.047 -2.932 15.509 1.00 0.00 H new ATOM 469 N ARG A 30 4.610 -4.250 18.730 1.00 0.00 N ATOM 470 CA ARG A 30 3.189 -3.970 18.905 1.00 0.00 C ATOM 471 C ARG A 30 2.408 -4.313 17.640 1.00 0.00 C ATOM 472 O ARG A 30 2.992 -4.561 16.585 1.00 0.00 O ATOM 473 CB ARG A 30 2.978 -2.498 19.263 1.00 0.00 C ATOM 474 CG ARG A 30 3.244 -1.545 18.109 1.00 0.00 C ATOM 475 CD ARG A 30 3.111 -0.094 18.543 1.00 0.00 C ATOM 476 NE ARG A 30 3.384 0.832 17.447 1.00 0.00 N ATOM 477 CZ ARG A 30 3.596 2.132 17.618 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.566 2.657 18.836 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.838 2.910 16.571 1.00 0.00 N ATOM 0 H ARG A 30 5.140 -3.491 18.302 1.00 0.00 H new ATOM 0 HA ARG A 30 2.819 -4.592 19.720 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.953 -2.360 19.608 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.632 -2.238 20.095 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.246 -1.718 17.716 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.544 -1.749 17.298 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.104 0.080 18.922 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.800 0.103 19.364 1.00 0.00 H new ATOM 0 HE ARG A 30 3.413 0.460 16.498 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.380 2.062 19.643 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.729 3.656 18.965 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.861 2.510 15.633 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.001 3.908 16.704 1.00 0.00 H new ATOM 493 N ALA A 31 1.084 -4.326 17.754 1.00 0.00 N ATOM 494 CA ALA A 31 0.223 -4.637 16.620 1.00 0.00 C ATOM 495 C ALA A 31 0.271 -3.529 15.573 1.00 0.00 C ATOM 496 O ALA A 31 0.792 -2.444 15.828 1.00 0.00 O ATOM 497 CB ALA A 31 -1.207 -4.860 17.089 1.00 0.00 C ATOM 0 H ALA A 31 0.585 -4.125 18.620 1.00 0.00 H new ATOM 0 HA ALA A 31 0.590 -5.553 16.158 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.839 -5.091 16.232 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.233 -5.691 17.794 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.575 -3.958 17.578 1.00 0.00 H new ATOM 503 N GLY A 32 -0.274 -3.811 14.393 1.00 0.00 N ATOM 504 CA GLY A 32 -0.281 -2.828 13.326 1.00 0.00 C ATOM 505 C GLY A 32 0.974 -2.884 12.478 1.00 0.00 C ATOM 506 O GLY A 32 1.039 -2.271 11.412 1.00 0.00 O ATOM 0 H GLY A 32 -0.710 -4.702 14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.152 -2.991 12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.382 -1.831 13.755 1.00 0.00 H new ATOM 510 N ASP A 33 1.974 -3.619 12.952 1.00 0.00 N ATOM 511 CA ASP A 33 3.234 -3.753 12.230 1.00 0.00 C ATOM 512 C ASP A 33 3.135 -4.834 11.158 1.00 0.00 C ATOM 513 O ASP A 33 2.333 -5.761 11.270 1.00 0.00 O ATOM 514 CB ASP A 33 4.370 -4.081 13.200 1.00 0.00 C ATOM 515 CG ASP A 33 5.070 -2.839 13.714 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.401 -1.792 13.845 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.286 -2.914 13.987 1.00 0.00 O ATOM 0 H ASP A 33 1.937 -4.131 13.833 1.00 0.00 H new ATOM 0 HA ASP A 33 3.447 -2.802 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.972 -4.645 14.043 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.096 -4.723 12.701 1.00 0.00 H new ATOM 522 N VAL A 34 3.954 -4.707 10.120 1.00 0.00 N ATOM 523 CA VAL A 34 3.959 -5.673 9.027 1.00 0.00 C ATOM 524 C VAL A 34 5.198 -6.560 9.083 1.00 0.00 C ATOM 525 O VAL A 34 6.301 -6.088 9.360 1.00 0.00 O ATOM 526 CB VAL A 34 3.905 -4.972 7.657 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.596 -4.213 7.497 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.095 -4.039 7.489 1.00 0.00 C ATOM 0 H VAL A 34 4.623 -3.945 10.012 1.00 0.00 H new ATOM 0 HA VAL A 34 3.068 -6.290 9.146 1.00 0.00 H new ATOM 0 HB VAL A 34 3.955 -5.732 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.576 -3.724 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.760 -4.909 7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.513 -3.461 8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.041 -3.552 6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.078 -3.283 8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.019 -4.613 7.557 1.00 0.00 H new ATOM 538 N PHE A 35 5.009 -7.848 8.819 1.00 0.00 N ATOM 539 CA PHE A 35 6.112 -8.803 8.839 1.00 0.00 C ATOM 540 C PHE A 35 5.892 -9.910 7.812 1.00 0.00 C ATOM 541 O PHE A 35 4.785 -10.091 7.306 1.00 0.00 O ATOM 542 CB PHE A 35 6.263 -9.410 10.236 1.00 0.00 C ATOM 543 CG PHE A 35 4.952 -9.727 10.896 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.275 -8.759 11.622 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.396 -10.992 10.793 1.00 0.00 C ATOM 546 CE1 PHE A 35 3.068 -9.047 12.231 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.190 -11.285 11.399 1.00 0.00 C ATOM 548 CZ PHE A 35 2.525 -10.312 12.120 1.00 0.00 C ATOM 0 H PHE A 35 4.103 -8.255 8.589 1.00 0.00 H new ATOM 0 HA PHE A 35 7.027 -8.269 8.581 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.855 -10.322 10.165 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.820 -8.717 10.866 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.696 -7.768 11.713 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.912 -11.758 10.232 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.550 -8.284 12.793 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.767 -12.275 11.309 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.583 -10.540 12.596 1.00 0.00 H new ATOM 558 N HIS A 36 6.956 -10.647 7.509 1.00 0.00 N ATOM 559 CA HIS A 36 6.881 -11.736 6.542 1.00 0.00 C ATOM 560 C HIS A 36 7.239 -13.068 7.195 1.00 0.00 C ATOM 561 O HIS A 36 7.861 -13.103 8.257 1.00 0.00 O ATOM 562 CB HIS A 36 7.816 -11.465 5.363 1.00 0.00 C ATOM 563 CG HIS A 36 7.589 -12.378 4.197 1.00 0.00 C ATOM 564 ND1 HIS A 36 6.394 -12.444 3.513 1.00 0.00 N ATOM 565 CD2 HIS A 36 8.415 -13.265 3.594 1.00 0.00 C ATOM 566 CE1 HIS A 36 6.493 -13.333 2.541 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.710 -13.845 2.568 1.00 0.00 N ATOM 0 H HIS A 36 7.880 -10.510 7.919 1.00 0.00 H new ATOM 0 HA HIS A 36 5.856 -11.794 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.686 -10.433 5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.848 -11.566 5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.438 -13.477 3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.712 -13.596 1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.068 -14.556 1.930 1.00 0.00 H new ATOM 575 N VAL A 37 6.842 -14.162 6.553 1.00 0.00 N ATOM 576 CA VAL A 37 7.122 -15.496 7.071 1.00 0.00 C ATOM 577 C VAL A 37 8.411 -16.056 6.481 1.00 0.00 C ATOM 578 O VAL A 37 8.539 -16.198 5.265 1.00 0.00 O ATOM 579 CB VAL A 37 5.967 -16.469 6.769 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.730 -16.097 7.573 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.660 -16.484 5.279 1.00 0.00 C ATOM 0 H VAL A 37 6.326 -14.151 5.673 1.00 0.00 H new ATOM 0 HA VAL A 37 7.233 -15.399 8.151 1.00 0.00 H new ATOM 0 HB VAL A 37 6.274 -17.472 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.925 -16.796 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.961 -16.142 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.417 -15.086 7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.842 -17.177 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.373 -15.483 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.545 -16.803 4.728 1.00 0.00 H new ATOM 591 N ALA A 38 9.365 -16.372 7.350 1.00 0.00 N ATOM 592 CA ALA A 38 10.644 -16.919 6.916 1.00 0.00 C ATOM 593 C ALA A 38 10.511 -18.389 6.534 1.00 0.00 C ATOM 594 O ALA A 38 11.253 -18.890 5.688 1.00 0.00 O ATOM 595 CB ALA A 38 11.690 -16.748 8.008 1.00 0.00 C ATOM 0 H ALA A 38 9.276 -16.258 8.360 1.00 0.00 H new ATOM 0 HA ALA A 38 10.965 -16.368 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.640 -17.161 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.814 -15.688 8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.366 -17.272 8.907 1.00 0.00 H new ATOM 601 N ARG A 39 9.563 -19.076 7.163 1.00 0.00 N ATOM 602 CA ARG A 39 9.335 -20.490 6.890 1.00 0.00 C ATOM 603 C ARG A 39 7.923 -20.901 7.297 1.00 0.00 C ATOM 604 O ARG A 39 7.437 -20.522 8.363 1.00 0.00 O ATOM 605 CB ARG A 39 10.362 -21.347 7.632 1.00 0.00 C ATOM 606 CG ARG A 39 10.499 -22.753 7.073 1.00 0.00 C ATOM 607 CD ARG A 39 11.531 -22.811 5.958 1.00 0.00 C ATOM 608 NE ARG A 39 10.934 -22.568 4.647 1.00 0.00 N ATOM 609 CZ ARG A 39 11.631 -22.197 3.579 1.00 0.00 C ATOM 610 NH1 ARG A 39 12.943 -22.028 3.666 1.00 0.00 N ATOM 611 NH2 ARG A 39 11.016 -21.996 2.421 1.00 0.00 N ATOM 0 H ARG A 39 8.940 -18.676 7.865 1.00 0.00 H new ATOM 0 HA ARG A 39 9.446 -20.650 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.333 -20.853 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.080 -21.409 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.786 -23.437 7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.534 -23.091 6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.309 -22.071 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.014 -23.788 5.961 1.00 0.00 H new ATOM 0 HE ARG A 39 9.926 -22.690 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.419 -22.183 4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.476 -21.743 2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.007 -22.126 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.552 -21.711 1.601 1.00 0.00 H new ATOM 625 N LYS A 40 7.269 -21.679 6.442 1.00 0.00 N ATOM 626 CA LYS A 40 5.913 -22.144 6.711 1.00 0.00 C ATOM 627 C LYS A 40 5.901 -23.637 7.020 1.00 0.00 C ATOM 628 O LYS A 40 6.108 -24.465 6.133 1.00 0.00 O ATOM 629 CB LYS A 40 5.005 -21.852 5.515 1.00 0.00 C ATOM 630 CG LYS A 40 5.618 -22.232 4.178 1.00 0.00 C ATOM 631 CD LYS A 40 4.557 -22.663 3.180 1.00 0.00 C ATOM 632 CE LYS A 40 5.042 -22.503 1.747 1.00 0.00 C ATOM 633 NZ LYS A 40 6.084 -23.508 1.399 1.00 0.00 N ATOM 0 H LYS A 40 7.656 -22.002 5.555 1.00 0.00 H new ATOM 0 HA LYS A 40 5.538 -21.608 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.067 -22.392 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.762 -20.789 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.173 -21.384 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.334 -23.042 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.288 -23.704 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.654 -22.070 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.198 -22.604 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.445 -21.500 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.389 -23.366 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.900 -23.396 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.692 -24.465 1.505 1.00 0.00 H new ATOM 647 N GLU A 41 5.657 -23.974 8.283 1.00 0.00 N ATOM 648 CA GLU A 41 5.618 -25.369 8.707 1.00 0.00 C ATOM 649 C GLU A 41 4.194 -25.789 9.063 1.00 0.00 C ATOM 650 O GLU A 41 3.322 -24.947 9.273 1.00 0.00 O ATOM 651 CB GLU A 41 6.541 -25.587 9.907 1.00 0.00 C ATOM 652 CG GLU A 41 7.186 -26.962 9.938 1.00 0.00 C ATOM 653 CD GLU A 41 7.961 -27.271 8.672 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.105 -26.788 8.544 1.00 0.00 O ATOM 655 OE2 GLU A 41 7.423 -27.996 7.808 1.00 0.00 O ATOM 0 H GLU A 41 5.484 -23.301 9.029 1.00 0.00 H new ATOM 0 HA GLU A 41 5.964 -25.985 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.324 -24.828 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.970 -25.442 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.857 -27.025 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.414 -27.718 10.081 1.00 0.00 H new ATOM 662 N GLU A 42 3.969 -27.098 9.126 1.00 0.00 N ATOM 663 CA GLU A 42 2.652 -27.630 9.455 1.00 0.00 C ATOM 664 C GLU A 42 2.326 -27.404 10.929 1.00 0.00 C ATOM 665 O GLU A 42 1.159 -27.350 11.315 1.00 0.00 O ATOM 666 CB GLU A 42 2.585 -29.124 9.130 1.00 0.00 C ATOM 667 CG GLU A 42 3.360 -29.994 10.105 1.00 0.00 C ATOM 668 CD GLU A 42 3.236 -31.473 9.793 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.925 -31.811 8.632 1.00 0.00 O ATOM 670 OE2 GLU A 42 3.450 -32.292 10.712 1.00 0.00 O ATOM 0 H GLU A 42 4.681 -27.808 8.954 1.00 0.00 H new ATOM 0 HA GLU A 42 1.914 -27.101 8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.542 -29.440 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.972 -29.286 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.412 -29.709 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.000 -29.809 11.117 1.00 0.00 H new ATOM 677 N GLN A 43 3.366 -27.273 11.746 1.00 0.00 N ATOM 678 CA GLN A 43 3.191 -27.055 13.177 1.00 0.00 C ATOM 679 C GLN A 43 3.205 -25.565 13.505 1.00 0.00 C ATOM 680 O GLN A 43 2.169 -24.981 13.824 1.00 0.00 O ATOM 681 CB GLN A 43 4.290 -27.772 13.962 1.00 0.00 C ATOM 682 CG GLN A 43 4.308 -29.277 13.746 1.00 0.00 C ATOM 683 CD GLN A 43 5.163 -30.003 14.766 1.00 0.00 C ATOM 684 OE1 GLN A 43 4.651 -30.729 15.618 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.475 -29.810 14.684 1.00 0.00 N ATOM 0 H GLN A 43 4.339 -27.314 11.441 1.00 0.00 H new ATOM 0 HA GLN A 43 2.223 -27.464 13.466 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.258 -27.360 13.675 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.159 -27.567 15.025 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.288 -29.659 13.794 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.682 -29.492 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.856 -29.199 13.961 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.101 -30.272 15.344 1.00 0.00 H new ATOM 694 N TRP A 44 4.383 -24.958 13.426 1.00 0.00 N ATOM 695 CA TRP A 44 4.532 -23.537 13.716 1.00 0.00 C ATOM 696 C TRP A 44 5.097 -22.792 12.512 1.00 0.00 C ATOM 697 O TRP A 44 5.874 -23.348 11.736 1.00 0.00 O ATOM 698 CB TRP A 44 5.441 -23.335 14.930 1.00 0.00 C ATOM 699 CG TRP A 44 5.097 -24.227 16.084 1.00 0.00 C ATOM 700 CD1 TRP A 44 5.433 -25.542 16.231 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.350 -23.868 17.252 1.00 0.00 C ATOM 702 NE1 TRP A 44 4.939 -26.023 17.420 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.272 -25.016 18.065 1.00 0.00 C ATOM 704 CE3 TRP A 44 3.741 -22.689 17.690 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.608 -25.016 19.289 1.00 0.00 C ATOM 706 CZ3 TRP A 44 3.082 -22.692 18.905 1.00 0.00 C ATOM 707 CH2 TRP A 44 3.021 -23.848 19.693 1.00 0.00 C ATOM 0 H TRP A 44 5.249 -25.428 13.163 1.00 0.00 H new ATOM 0 HA TRP A 44 3.545 -23.132 13.939 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.475 -23.516 14.635 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.379 -22.296 15.252 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.003 -26.119 15.518 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.051 -26.976 17.766 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.784 -21.792 17.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.558 -25.907 19.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.606 -21.787 19.253 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.500 -23.817 20.639 1.00 0.00 H new ATOM 718 N TRP A 45 4.703 -21.532 12.363 1.00 0.00 N ATOM 719 CA TRP A 45 5.172 -20.711 11.253 1.00 0.00 C ATOM 720 C TRP A 45 6.215 -19.703 11.723 1.00 0.00 C ATOM 721 O TRP A 45 6.030 -19.034 12.740 1.00 0.00 O ATOM 722 CB TRP A 45 3.998 -19.981 10.599 1.00 0.00 C ATOM 723 CG TRP A 45 3.079 -20.892 9.843 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.092 -21.138 8.499 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.012 -21.677 10.386 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.097 -22.028 8.174 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.421 -22.375 9.314 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.499 -21.860 11.673 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.343 -23.238 9.492 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.430 -22.717 11.848 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.138 -23.399 10.763 1.00 0.00 C ATOM 0 H TRP A 45 4.060 -21.057 12.997 1.00 0.00 H new ATOM 0 HA TRP A 45 5.636 -21.369 10.518 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.429 -19.460 11.369 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.385 -19.221 9.920 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.783 -20.698 7.795 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.894 -22.374 7.236 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.931 -21.341 12.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.098 -23.762 8.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.025 -22.864 12.838 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.971 -24.064 10.933 1.00 0.00 H new ATOM 742 N TRP A 46 7.309 -19.599 10.978 1.00 0.00 N ATOM 743 CA TRP A 46 8.381 -18.671 11.320 1.00 0.00 C ATOM 744 C TRP A 46 8.071 -17.269 10.810 1.00 0.00 C ATOM 745 O TRP A 46 7.884 -17.062 9.611 1.00 0.00 O ATOM 746 CB TRP A 46 9.710 -19.157 10.738 1.00 0.00 C ATOM 747 CG TRP A 46 10.268 -20.353 11.448 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.571 -21.266 12.188 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.638 -20.764 11.487 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.427 -22.220 12.684 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.700 -21.935 12.268 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.819 -20.259 10.937 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.896 -22.604 12.512 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.006 -20.924 11.180 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.037 -22.087 11.961 1.00 0.00 C ATOM 0 H TRP A 46 7.477 -20.145 10.133 1.00 0.00 H new ATOM 0 HA TRP A 46 8.461 -18.632 12.406 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.569 -19.401 9.685 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.436 -18.345 10.783 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.505 -21.242 12.358 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.158 -23.012 13.268 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.805 -19.364 10.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.923 -23.500 13.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.925 -20.541 10.761 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.980 -22.585 12.131 1.00 0.00 H new ATOM 766 N ALA A 47 8.018 -16.308 11.726 1.00 0.00 N ATOM 767 CA ALA A 47 7.732 -14.924 11.367 1.00 0.00 C ATOM 768 C ALA A 47 8.858 -13.998 11.815 1.00 0.00 C ATOM 769 O ALA A 47 9.407 -14.152 12.907 1.00 0.00 O ATOM 770 CB ALA A 47 6.409 -14.483 11.976 1.00 0.00 C ATOM 0 H ALA A 47 8.169 -16.462 12.723 1.00 0.00 H new ATOM 0 HA ALA A 47 7.657 -14.864 10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.208 -13.448 11.700 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.607 -15.120 11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.463 -14.565 13.062 1.00 0.00 H new ATOM 776 N THR A 48 9.198 -13.034 10.965 1.00 0.00 N ATOM 777 CA THR A 48 10.259 -12.083 11.273 1.00 0.00 C ATOM 778 C THR A 48 9.739 -10.650 11.246 1.00 0.00 C ATOM 779 O THR A 48 9.108 -10.226 10.276 1.00 0.00 O ATOM 780 CB THR A 48 11.431 -12.210 10.282 1.00 0.00 C ATOM 781 OG1 THR A 48 11.890 -13.566 10.237 1.00 0.00 O ATOM 782 CG2 THR A 48 12.579 -11.295 10.681 1.00 0.00 C ATOM 0 H THR A 48 8.754 -12.891 10.058 1.00 0.00 H new ATOM 0 HA THR A 48 10.613 -12.319 12.277 1.00 0.00 H new ATOM 0 HB THR A 48 11.076 -11.913 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.634 -13.639 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.395 -11.402 9.966 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.235 -10.261 10.686 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.931 -11.566 11.677 1.00 0.00 H new ATOM 790 N LEU A 49 10.006 -9.909 12.315 1.00 0.00 N ATOM 791 CA LEU A 49 9.565 -8.522 12.413 1.00 0.00 C ATOM 792 C LEU A 49 10.495 -7.598 11.633 1.00 0.00 C ATOM 793 O LEU A 49 11.693 -7.524 11.912 1.00 0.00 O ATOM 794 CB LEU A 49 9.509 -8.087 13.879 1.00 0.00 C ATOM 795 CG LEU A 49 8.123 -7.732 14.421 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.669 -6.384 13.883 1.00 0.00 C ATOM 797 CD2 LEU A 49 7.118 -8.817 14.065 1.00 0.00 C ATOM 0 H LEU A 49 10.525 -10.245 13.126 1.00 0.00 H new ATOM 0 HA LEU A 49 8.567 -8.453 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.922 -8.889 14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.159 -7.222 14.006 1.00 0.00 H new ATOM 0 HG LEU A 49 8.184 -7.664 15.507 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.681 -6.148 14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.376 -5.613 14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.624 -6.423 12.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.138 -8.548 14.458 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.059 -8.917 12.981 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.436 -9.764 14.500 1.00 0.00 H new ATOM 809 N LEU A 50 9.936 -6.893 10.656 1.00 0.00 N ATOM 810 CA LEU A 50 10.714 -5.971 9.835 1.00 0.00 C ATOM 811 C LEU A 50 10.214 -4.539 10.002 1.00 0.00 C ATOM 812 O LEU A 50 9.100 -4.311 10.473 1.00 0.00 O ATOM 813 CB LEU A 50 10.641 -6.381 8.364 1.00 0.00 C ATOM 814 CG LEU A 50 10.474 -7.876 8.091 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.360 -8.137 6.597 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.636 -8.660 8.684 1.00 0.00 C ATOM 0 H LEU A 50 8.947 -6.942 10.413 1.00 0.00 H new ATOM 0 HA LEU A 50 11.752 -6.015 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.808 -5.852 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.550 -6.041 7.867 1.00 0.00 H new ATOM 0 HG LEU A 50 9.554 -8.212 8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.242 -9.206 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.494 -7.607 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.262 -7.785 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.500 -9.722 8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.570 -8.321 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.671 -8.499 9.761 1.00 0.00 H new ATOM 828 N ASP A 51 11.045 -3.579 9.610 1.00 0.00 N ATOM 829 CA ASP A 51 10.686 -2.169 9.713 1.00 0.00 C ATOM 830 C ASP A 51 9.626 -1.802 8.679 1.00 0.00 C ATOM 831 O ASP A 51 9.167 -2.653 7.917 1.00 0.00 O ATOM 832 CB ASP A 51 11.924 -1.291 9.526 1.00 0.00 C ATOM 833 CG ASP A 51 12.700 -1.644 8.272 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.159 -1.447 7.164 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.849 -2.116 8.399 1.00 0.00 O ATOM 0 H ASP A 51 11.971 -3.751 9.218 1.00 0.00 H new ATOM 0 HA ASP A 51 10.274 -1.996 10.707 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.620 -0.245 9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.575 -1.396 10.394 1.00 0.00 H new ATOM 840 N GLU A 52 9.241 -0.530 8.659 1.00 0.00 N ATOM 841 CA GLU A 52 8.234 -0.051 7.720 1.00 0.00 C ATOM 842 C GLU A 52 8.676 -0.290 6.279 1.00 0.00 C ATOM 843 O GLU A 52 7.854 -0.553 5.402 1.00 0.00 O ATOM 844 CB GLU A 52 7.964 1.439 7.942 1.00 0.00 C ATOM 845 CG GLU A 52 8.160 1.885 9.381 1.00 0.00 C ATOM 846 CD GLU A 52 7.233 3.019 9.772 1.00 0.00 C ATOM 847 OE1 GLU A 52 6.033 2.949 9.434 1.00 0.00 O ATOM 848 OE2 GLU A 52 7.708 3.978 10.416 1.00 0.00 O ATOM 0 H GLU A 52 9.611 0.187 9.282 1.00 0.00 H new ATOM 0 HA GLU A 52 7.315 -0.609 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.624 2.019 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.942 1.664 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.992 1.038 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.194 2.201 9.522 1.00 0.00 H new ATOM 855 N ALA A 53 9.981 -0.195 6.044 1.00 0.00 N ATOM 856 CA ALA A 53 10.533 -0.402 4.711 1.00 0.00 C ATOM 857 C ALA A 53 10.596 -1.886 4.367 1.00 0.00 C ATOM 858 O ALA A 53 10.958 -2.260 3.252 1.00 0.00 O ATOM 859 CB ALA A 53 11.916 0.224 4.610 1.00 0.00 C ATOM 0 H ALA A 53 10.675 0.024 6.759 1.00 0.00 H new ATOM 0 HA ALA A 53 9.873 0.083 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.317 0.062 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.846 1.294 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.578 -0.235 5.344 1.00 0.00 H new ATOM 865 N GLY A 54 10.241 -2.729 5.332 1.00 0.00 N ATOM 866 CA GLY A 54 10.266 -4.163 5.111 1.00 0.00 C ATOM 867 C GLY A 54 11.659 -4.745 5.236 1.00 0.00 C ATOM 868 O GLY A 54 11.976 -5.756 4.610 1.00 0.00 O ATOM 0 H GLY A 54 9.937 -2.444 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.607 -4.650 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.872 -4.381 4.118 1.00 0.00 H new ATOM 872 N GLY A 55 12.497 -4.105 6.047 1.00 0.00 N ATOM 873 CA GLY A 55 13.855 -4.579 6.235 1.00 0.00 C ATOM 874 C GLY A 55 13.935 -5.739 7.208 1.00 0.00 C ATOM 875 O GLY A 55 13.741 -6.892 6.825 1.00 0.00 O ATOM 0 H GLY A 55 12.259 -3.267 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.266 -4.887 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.475 -3.760 6.599 1.00 0.00 H new ATOM 879 N ALA A 56 14.222 -5.433 8.469 1.00 0.00 N ATOM 880 CA ALA A 56 14.327 -6.460 9.499 1.00 0.00 C ATOM 881 C ALA A 56 14.630 -5.842 10.860 1.00 0.00 C ATOM 882 O ALA A 56 15.290 -4.807 10.950 1.00 0.00 O ATOM 883 CB ALA A 56 15.398 -7.474 9.126 1.00 0.00 C ATOM 0 H ALA A 56 14.386 -4.483 8.802 1.00 0.00 H new ATOM 0 HA ALA A 56 13.367 -6.972 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.465 -8.235 9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.138 -7.946 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.359 -6.969 9.028 1.00 0.00 H new ATOM 889 N VAL A 57 14.144 -6.485 11.917 1.00 0.00 N ATOM 890 CA VAL A 57 14.364 -5.999 13.274 1.00 0.00 C ATOM 891 C VAL A 57 14.523 -7.156 14.253 1.00 0.00 C ATOM 892 O VAL A 57 15.607 -7.386 14.788 1.00 0.00 O ATOM 893 CB VAL A 57 13.204 -5.100 13.743 1.00 0.00 C ATOM 894 CG1 VAL A 57 13.560 -4.408 15.050 1.00 0.00 C ATOM 895 CG2 VAL A 57 12.852 -4.081 12.670 1.00 0.00 C ATOM 0 H VAL A 57 13.596 -7.343 11.860 1.00 0.00 H new ATOM 0 HA VAL A 57 15.283 -5.414 13.255 1.00 0.00 H new ATOM 0 HB VAL A 57 12.329 -5.727 13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.729 -3.777 15.366 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.758 -5.157 15.816 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.448 -3.793 14.906 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.031 -3.455 13.018 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.721 -3.457 12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.551 -4.600 11.760 1.00 0.00 H new ATOM 905 N ALA A 58 13.434 -7.883 14.484 1.00 0.00 N ATOM 906 CA ALA A 58 13.454 -9.019 15.397 1.00 0.00 C ATOM 907 C ALA A 58 12.990 -10.293 14.698 1.00 0.00 C ATOM 908 O ALA A 58 12.377 -10.238 13.632 1.00 0.00 O ATOM 909 CB ALA A 58 12.583 -8.735 16.612 1.00 0.00 C ATOM 0 H ALA A 58 12.528 -7.705 14.051 1.00 0.00 H new ATOM 0 HA ALA A 58 14.482 -9.170 15.727 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.607 -9.592 17.285 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.960 -7.854 17.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.557 -8.555 16.290 1.00 0.00 H new ATOM 915 N GLN A 59 13.286 -11.437 15.305 1.00 0.00 N ATOM 916 CA GLN A 59 12.900 -12.725 14.739 1.00 0.00 C ATOM 917 C GLN A 59 12.278 -13.623 15.804 1.00 0.00 C ATOM 918 O GLN A 59 12.718 -13.637 16.953 1.00 0.00 O ATOM 919 CB GLN A 59 14.114 -13.417 14.117 1.00 0.00 C ATOM 920 CG GLN A 59 14.820 -12.577 13.065 1.00 0.00 C ATOM 921 CD GLN A 59 16.325 -12.757 13.088 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.856 -13.718 12.532 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.023 -11.830 13.734 1.00 0.00 N ATOM 0 H GLN A 59 13.792 -11.499 16.189 1.00 0.00 H new ATOM 0 HA GLN A 59 12.157 -12.544 13.963 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.823 -13.667 14.906 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.795 -14.356 13.666 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.441 -12.844 12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.581 -11.526 13.225 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.543 -11.049 14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.040 -11.899 13.783 1.00 0.00 H new ATOM 932 N GLY A 60 11.251 -14.371 15.413 1.00 0.00 N ATOM 933 CA GLY A 60 10.585 -15.261 16.346 1.00 0.00 C ATOM 934 C GLY A 60 9.647 -16.230 15.654 1.00 0.00 C ATOM 935 O GLY A 60 9.553 -16.244 14.426 1.00 0.00 O ATOM 0 H GLY A 60 10.868 -14.377 14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.334 -15.822 16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.023 -14.670 17.069 1.00 0.00 H new ATOM 939 N TYR A 61 8.952 -17.043 16.442 1.00 0.00 N ATOM 940 CA TYR A 61 8.019 -18.023 15.897 1.00 0.00 C ATOM 941 C TYR A 61 6.673 -17.948 16.610 1.00 0.00 C ATOM 942 O TYR A 61 6.610 -17.803 17.830 1.00 0.00 O ATOM 943 CB TYR A 61 8.598 -19.433 16.022 1.00 0.00 C ATOM 944 CG TYR A 61 10.065 -19.520 15.666 1.00 0.00 C ATOM 945 CD1 TYR A 61 10.548 -18.962 14.489 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.967 -20.159 16.507 1.00 0.00 C ATOM 947 CE1 TYR A 61 11.887 -19.040 14.159 1.00 0.00 C ATOM 948 CE2 TYR A 61 12.309 -20.240 16.186 1.00 0.00 C ATOM 949 CZ TYR A 61 12.764 -19.679 15.011 1.00 0.00 C ATOM 950 OH TYR A 61 14.099 -19.758 14.686 1.00 0.00 O ATOM 0 H TYR A 61 9.017 -17.043 17.460 1.00 0.00 H new ATOM 0 HA TYR A 61 7.864 -17.793 14.843 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.460 -19.784 17.045 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.035 -20.106 15.375 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.865 -18.459 13.821 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.614 -20.600 17.427 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.246 -18.603 13.239 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.997 -20.740 16.851 1.00 0.00 H new ATOM 0 HH TYR A 61 14.217 -20.379 13.937 1.00 0.00 H new ATOM 960 N VAL A 62 5.595 -18.048 15.837 1.00 0.00 N ATOM 961 CA VAL A 62 4.248 -17.994 16.393 1.00 0.00 C ATOM 962 C VAL A 62 3.262 -18.759 15.518 1.00 0.00 C ATOM 963 O VAL A 62 3.476 -18.954 14.322 1.00 0.00 O ATOM 964 CB VAL A 62 3.762 -16.541 16.546 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.388 -15.894 17.772 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.077 -15.740 15.291 1.00 0.00 C ATOM 0 H VAL A 62 5.629 -18.167 14.825 1.00 0.00 H new ATOM 0 HA VAL A 62 4.293 -18.460 17.378 1.00 0.00 H new ATOM 0 HB VAL A 62 2.681 -16.550 16.683 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.033 -14.868 17.863 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.108 -16.456 18.663 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.473 -15.894 17.669 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.727 -14.715 15.416 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.154 -15.737 15.122 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.576 -16.193 14.435 1.00 0.00 H new ATOM 976 N PRO A 63 2.153 -19.204 16.127 1.00 0.00 N ATOM 977 CA PRO A 63 1.109 -19.955 15.422 1.00 0.00 C ATOM 978 C PRO A 63 0.337 -19.086 14.435 1.00 0.00 C ATOM 979 O PRO A 63 0.217 -17.874 14.621 1.00 0.00 O ATOM 980 CB PRO A 63 0.190 -20.429 16.550 1.00 0.00 C ATOM 981 CG PRO A 63 0.395 -19.441 17.646 1.00 0.00 C ATOM 982 CD PRO A 63 1.831 -19.008 17.551 1.00 0.00 C ATOM 0 HA PRO A 63 1.524 -20.766 14.823 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.851 -20.453 16.229 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.447 -21.438 16.873 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.277 -18.590 17.535 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.186 -19.888 18.618 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.958 -17.968 17.852 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.475 -19.607 18.195 1.00 0.00 H new ATOM 990 N HIS A 64 -0.186 -19.712 13.386 1.00 0.00 N ATOM 991 CA HIS A 64 -0.948 -18.996 12.369 1.00 0.00 C ATOM 992 C HIS A 64 -2.142 -18.277 12.992 1.00 0.00 C ATOM 993 O HIS A 64 -2.590 -17.248 12.489 1.00 0.00 O ATOM 994 CB HIS A 64 -1.428 -19.962 11.286 1.00 0.00 C ATOM 995 CG HIS A 64 -2.419 -20.971 11.779 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.425 -21.732 12.898 1.00 0.00 N flip ATOM 997 CD2 HIS A 64 -3.570 -21.293 11.092 1.00 0.00 C flip ATOM 998 CE1 HIS A 64 -3.568 -22.492 12.868 1.00 0.00 C flip ATOM 999 NE2 HIS A 64 -4.242 -22.208 11.768 1.00 0.00 N flip ATOM 0 H HIS A 64 -0.096 -20.714 13.218 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.293 -18.252 11.916 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.878 -19.390 10.474 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.567 -20.484 10.869 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.875 -20.864 10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.867 -23.206 13.621 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.130 -22.624 11.488 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.652 -18.828 14.088 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.795 -18.241 14.778 1.00 0.00 C ATOM 1009 C ASN A 65 -3.425 -16.895 15.395 1.00 0.00 C ATOM 1010 O ASN A 65 -4.295 -16.079 15.697 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.305 -19.190 15.864 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.748 -18.917 16.240 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -6.494 -18.301 15.478 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.149 -19.375 17.420 1.00 0.00 N ATOM 0 H ASN A 65 -2.292 -19.680 14.518 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.586 -18.080 14.046 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.212 -20.219 15.517 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.677 -19.094 16.750 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.109 -19.221 17.727 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.497 -19.880 18.019 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.128 -16.672 15.579 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.642 -15.427 16.162 1.00 0.00 C ATOM 1023 C TYR A 66 -1.603 -14.315 15.118 1.00 0.00 C ATOM 1024 O TYR A 66 -2.291 -13.302 15.246 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.249 -15.629 16.760 1.00 0.00 C ATOM 1026 CG TYR A 66 0.066 -14.680 17.895 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -0.778 -14.575 18.994 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.208 -13.890 17.868 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -0.494 -13.709 20.032 1.00 0.00 C ATOM 1030 CE2 TYR A 66 1.500 -13.022 18.903 1.00 0.00 C ATOM 1031 CZ TYR A 66 0.646 -12.935 19.982 1.00 0.00 C ATOM 1032 OH TYR A 66 0.933 -12.072 21.015 1.00 0.00 O ATOM 0 H TYR A 66 -1.395 -17.337 15.333 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.331 -15.133 16.954 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.162 -16.654 17.120 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.496 -15.503 15.975 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.671 -15.181 19.037 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.879 -13.955 17.024 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.161 -13.639 20.878 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.393 -12.415 18.867 1.00 0.00 H new ATOM 0 HH TYR A 66 0.146 -11.522 21.210 1.00 0.00 H new ATOM 1042 N LEU A 67 -0.793 -14.513 14.083 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.663 -13.529 13.014 1.00 0.00 C ATOM 1044 C LEU A 67 -1.472 -13.945 11.790 1.00 0.00 C ATOM 1045 O LEU A 67 -1.527 -15.124 11.441 1.00 0.00 O ATOM 1046 CB LEU A 67 0.808 -13.353 12.632 1.00 0.00 C ATOM 1047 CG LEU A 67 1.459 -14.533 11.909 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.432 -14.316 10.404 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.886 -14.734 12.395 1.00 0.00 C ATOM 0 H LEU A 67 -0.217 -15.346 13.962 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.053 -12.579 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.895 -12.471 11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.377 -13.150 13.539 1.00 0.00 H new ATOM 0 HG LEU A 67 0.889 -15.434 12.136 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.899 -15.165 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.399 -14.222 10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.978 -13.405 10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.334 -15.578 11.870 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.468 -13.834 12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.881 -14.935 13.466 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.097 -12.968 11.141 1.00 0.00 N ATOM 1062 CA ALA A 68 -2.900 -13.232 9.953 1.00 0.00 C ATOM 1063 C ALA A 68 -2.517 -12.295 8.812 1.00 0.00 C ATOM 1064 O ALA A 68 -2.315 -11.099 9.021 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.380 -13.097 10.275 1.00 0.00 C ATOM 0 H ALA A 68 -2.063 -11.987 11.418 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.702 -14.254 9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.967 -13.297 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.650 -13.812 11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.585 -12.085 10.625 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.419 -12.846 7.607 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.058 -12.058 6.434 1.00 0.00 C ATOM 1073 C GLU A 69 -3.015 -10.882 6.254 1.00 0.00 C ATOM 1074 O GLU A 69 -4.234 -11.051 6.277 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.068 -12.935 5.180 1.00 0.00 C ATOM 1076 CG GLU A 69 -3.460 -13.372 4.754 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.120 -12.383 3.813 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.501 -11.340 3.518 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.256 -12.654 3.370 1.00 0.00 O ATOM 0 H GLU A 69 -2.584 -13.834 7.417 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.052 -11.666 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.601 -12.388 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.458 -13.820 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.398 -14.345 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.084 -13.498 5.639 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.452 -9.692 6.075 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.254 -8.488 5.893 1.00 0.00 C ATOM 1088 C ARG A 70 -2.789 -7.705 4.668 1.00 0.00 C ATOM 1089 O ARG A 70 -2.132 -6.673 4.793 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.174 -7.602 7.138 1.00 0.00 C ATOM 1091 CG ARG A 70 -4.318 -7.819 8.114 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.629 -6.553 8.897 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.539 -6.808 10.011 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.853 -6.939 9.872 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.409 -6.839 8.672 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.614 -7.170 10.933 1.00 0.00 N ATOM 0 H ARG A 70 -1.444 -9.536 6.052 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.289 -8.792 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.230 -7.793 7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.164 -6.557 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.206 -8.139 7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.061 -8.622 8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.702 -6.125 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.071 -5.813 8.230 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.143 -6.890 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.827 -6.661 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.419 -6.940 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.190 -7.247 11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.623 -7.270 10.825 1.00 0.00 H new