USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 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 17 LYS NZ :NH3+ -143:sc= 0.603 (180deg=-1.29!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 24 SER OG : rot -94:sc= 0.421! USER MOD Single : A 27 ASN : amide:sc= -5.51! K(o=-5.5!,f=-1.8) USER MOD Single : A 32 SER OG : rot 180:sc= -1.37 USER MOD Single : A 33 TYR OH : rot 148:sc= 0.123 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.52! C(o=-2.5!,f=-8.7!) USER MOD Single : A 40 GLN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 44 SER OG : rot 88:sc= 0.173 USER MOD Single : A 64 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.28) USER MOD Single : A 67 MET CE :methyl -168:sc=-0.00433 (180deg=-0.191) USER MOD Single : A 70 HIS : no HD1:sc= 1.02 K(o=1,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 202 N VAL A 14 -3.886 3.166 0.668 1.00 0.00 N ATOM 203 CA VAL A 14 -3.188 2.070 1.310 1.00 0.00 C ATOM 204 C VAL A 14 -1.680 2.202 1.147 1.00 0.00 C ATOM 205 O VAL A 14 -1.174 2.514 0.070 1.00 0.00 O ATOM 206 CB VAL A 14 -3.668 0.704 0.762 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.687 0.697 -0.754 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.800 -0.430 1.279 1.00 0.00 C ATOM 0 HA VAL A 14 -3.422 2.116 2.374 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.686 0.550 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.028 -0.275 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.364 1.472 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.683 0.889 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.161 -1.377 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.769 -0.272 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.846 -0.456 2.368 1.00 0.00 H new ATOM 218 N VAL A 15 -0.975 1.996 2.243 1.00 0.00 N ATOM 219 CA VAL A 15 0.471 2.041 2.237 1.00 0.00 C ATOM 220 C VAL A 15 1.043 0.668 1.985 1.00 0.00 C ATOM 221 O VAL A 15 0.768 -0.286 2.718 1.00 0.00 O ATOM 222 CB VAL A 15 1.026 2.600 3.563 1.00 0.00 C ATOM 223 CG1 VAL A 15 2.544 2.553 3.573 1.00 0.00 C ATOM 224 CG2 VAL A 15 0.536 4.021 3.794 1.00 0.00 C ATOM 0 H VAL A 15 -1.386 1.794 3.154 1.00 0.00 H new ATOM 0 HA VAL A 15 0.772 2.710 1.431 1.00 0.00 H new ATOM 0 HB VAL A 15 0.658 1.973 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.914 2.952 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.877 1.521 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.932 3.152 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.939 4.396 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.870 4.659 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.553 4.028 3.838 1.00 0.00 H new ATOM 234 N LEU A 16 1.830 0.575 0.937 1.00 0.00 N ATOM 235 CA LEU A 16 2.506 -0.646 0.600 1.00 0.00 C ATOM 236 C LEU A 16 3.994 -0.467 0.822 1.00 0.00 C ATOM 237 O LEU A 16 4.575 0.532 0.410 1.00 0.00 O ATOM 238 CB LEU A 16 2.212 -1.032 -0.851 1.00 0.00 C ATOM 239 CG LEU A 16 2.677 -2.429 -1.238 1.00 0.00 C ATOM 240 CD1 LEU A 16 1.820 -2.992 -2.354 1.00 0.00 C ATOM 241 CD2 LEU A 16 4.137 -2.426 -1.667 1.00 0.00 C ATOM 0 H LEU A 16 2.016 1.347 0.297 1.00 0.00 H new ATOM 0 HA LEU A 16 2.147 -1.453 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.138 -0.959 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.690 -0.308 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 16 2.575 -3.062 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.171 -3.991 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.783 -3.046 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.889 -2.344 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.439 -3.438 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.262 -1.768 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.757 -2.070 -0.845 1.00 0.00 H new ATOM 253 N LYS A 17 4.605 -1.419 1.491 1.00 0.00 N ATOM 254 CA LYS A 17 6.030 -1.362 1.730 1.00 0.00 C ATOM 255 C LYS A 17 6.695 -2.571 1.099 1.00 0.00 C ATOM 256 O LYS A 17 6.133 -3.666 1.106 1.00 0.00 O ATOM 257 CB LYS A 17 6.331 -1.298 3.233 1.00 0.00 C ATOM 258 CG LYS A 17 5.649 -0.143 3.943 1.00 0.00 C ATOM 259 CD LYS A 17 5.853 -0.234 5.440 1.00 0.00 C ATOM 260 CE LYS A 17 5.164 0.904 6.177 1.00 0.00 C ATOM 261 NZ LYS A 17 5.768 2.234 5.904 1.00 0.00 N ATOM 0 H LYS A 17 4.139 -2.240 1.878 1.00 0.00 H new ATOM 0 HA LYS A 17 6.430 -0.456 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.019 -2.234 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.408 -1.215 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.047 0.802 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.583 -0.150 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.467 -1.187 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.920 -0.217 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.112 0.926 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.202 0.709 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.752 2.807 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.751 2.111 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.224 2.717 5.161 1.00 0.00 H new ATOM 275 N LEU A 18 7.890 -2.367 0.577 1.00 0.00 N ATOM 276 CA LEU A 18 8.643 -3.421 -0.075 1.00 0.00 C ATOM 277 C LEU A 18 9.656 -3.964 0.903 1.00 0.00 C ATOM 278 O LEU A 18 10.225 -3.210 1.681 1.00 0.00 O ATOM 279 CB LEU A 18 9.376 -2.856 -1.290 1.00 0.00 C ATOM 280 CG LEU A 18 8.502 -2.500 -2.491 1.00 0.00 C ATOM 281 CD1 LEU A 18 9.210 -1.485 -3.376 1.00 0.00 C ATOM 282 CD2 LEU A 18 8.180 -3.751 -3.291 1.00 0.00 C ATOM 0 H LEU A 18 8.366 -1.465 0.593 1.00 0.00 H new ATOM 0 HA LEU A 18 7.966 -4.211 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.916 -1.961 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.122 -3.583 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 18 7.572 -2.062 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.576 -1.240 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.412 -0.580 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.150 -1.906 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.556 -3.486 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.106 -4.205 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.646 -4.460 -2.658 1.00 0.00 H new ATOM 294 N TRP A 19 9.862 -5.263 0.878 1.00 0.00 N ATOM 295 CA TRP A 19 10.730 -5.910 1.837 1.00 0.00 C ATOM 296 C TRP A 19 11.733 -6.806 1.132 1.00 0.00 C ATOM 297 O TRP A 19 11.806 -6.824 -0.094 1.00 0.00 O ATOM 298 CB TRP A 19 9.916 -6.767 2.797 1.00 0.00 C ATOM 299 CG TRP A 19 8.744 -6.081 3.401 1.00 0.00 C ATOM 300 CD1 TRP A 19 7.439 -6.334 3.122 1.00 0.00 C ATOM 301 CD2 TRP A 19 8.754 -5.033 4.370 1.00 0.00 C ATOM 302 NE1 TRP A 19 6.633 -5.572 3.912 1.00 0.00 N ATOM 303 CE2 TRP A 19 7.413 -4.754 4.676 1.00 0.00 C ATOM 304 CE3 TRP A 19 9.757 -4.315 5.022 1.00 0.00 C ATOM 305 CZ2 TRP A 19 7.045 -3.804 5.608 1.00 0.00 C ATOM 306 CZ3 TRP A 19 9.389 -3.352 5.942 1.00 0.00 C ATOM 307 CH2 TRP A 19 8.044 -3.108 6.232 1.00 0.00 C ATOM 0 H TRP A 19 9.437 -5.895 0.199 1.00 0.00 H new ATOM 0 HA TRP A 19 11.255 -5.129 2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.567 -7.653 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.570 -7.113 3.598 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.091 -7.038 2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.614 -5.607 3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.799 -4.508 4.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.006 -3.617 5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.153 -2.778 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.788 -2.355 6.963 1.00 0.00 H new ATOM 318 N LYS A 20 12.496 -7.561 1.904 1.00 0.00 N ATOM 319 CA LYS A 20 13.438 -8.502 1.329 1.00 0.00 C ATOM 320 C LYS A 20 12.712 -9.734 0.787 1.00 0.00 C ATOM 321 O LYS A 20 13.075 -10.273 -0.260 1.00 0.00 O ATOM 322 CB LYS A 20 14.512 -8.891 2.358 1.00 0.00 C ATOM 323 CG LYS A 20 13.968 -9.483 3.652 1.00 0.00 C ATOM 324 CD LYS A 20 14.065 -11.001 3.663 1.00 0.00 C ATOM 325 CE LYS A 20 13.539 -11.573 4.969 1.00 0.00 C ATOM 326 NZ LYS A 20 13.912 -12.999 5.158 1.00 0.00 N ATOM 0 H LYS A 20 12.481 -7.540 2.924 1.00 0.00 H new ATOM 0 HA LYS A 20 13.940 -8.019 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.190 -9.612 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.102 -8.007 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.522 -9.077 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.927 -9.184 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.497 -11.411 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.103 -11.303 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.927 -10.986 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.453 -11.479 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.529 -13.341 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.520 -13.566 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.948 -13.089 5.164 1.00 0.00 H new ATOM 340 N SER A 21 11.673 -10.166 1.492 1.00 0.00 N ATOM 341 CA SER A 21 10.898 -11.323 1.071 1.00 0.00 C ATOM 342 C SER A 21 9.783 -10.920 0.113 1.00 0.00 C ATOM 343 O SER A 21 9.592 -11.544 -0.931 1.00 0.00 O ATOM 344 CB SER A 21 10.306 -12.046 2.283 1.00 0.00 C ATOM 345 OG SER A 21 11.318 -12.666 3.058 1.00 0.00 O ATOM 0 H SER A 21 11.349 -9.732 2.356 1.00 0.00 H new ATOM 0 HA SER A 21 11.574 -12.000 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.756 -11.335 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.591 -12.797 1.948 1.00 0.00 H new ATOM 0 HG SER A 21 10.911 -13.118 3.826 1.00 0.00 H new ATOM 351 N GLY A 22 9.054 -9.872 0.462 1.00 0.00 N ATOM 352 CA GLY A 22 7.918 -9.479 -0.335 1.00 0.00 C ATOM 353 C GLY A 22 7.457 -8.074 -0.036 1.00 0.00 C ATOM 354 O GLY A 22 8.263 -7.155 0.022 1.00 0.00 O ATOM 0 H GLY A 22 9.230 -9.290 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.176 -9.556 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.096 -10.173 -0.157 1.00 0.00 H new ATOM 358 N PHE A 23 6.164 -7.903 0.156 1.00 0.00 N ATOM 359 CA PHE A 23 5.600 -6.583 0.388 1.00 0.00 C ATOM 360 C PHE A 23 4.416 -6.685 1.346 1.00 0.00 C ATOM 361 O PHE A 23 3.803 -7.745 1.468 1.00 0.00 O ATOM 362 CB PHE A 23 5.162 -5.960 -0.943 1.00 0.00 C ATOM 363 CG PHE A 23 3.965 -6.631 -1.527 1.00 0.00 C ATOM 364 CD1 PHE A 23 4.091 -7.822 -2.209 1.00 0.00 C ATOM 365 CD2 PHE A 23 2.710 -6.078 -1.369 1.00 0.00 C ATOM 366 CE1 PHE A 23 2.984 -8.447 -2.725 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.599 -6.703 -1.882 1.00 0.00 C ATOM 368 CZ PHE A 23 1.739 -7.890 -2.560 1.00 0.00 C ATOM 0 H PHE A 23 5.481 -8.661 0.156 1.00 0.00 H new ATOM 0 HA PHE A 23 6.359 -5.943 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.942 -4.903 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.987 -6.014 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.067 -8.266 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.600 -5.145 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.091 -9.378 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.621 -6.264 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.869 -8.386 -2.964 1.00 0.00 H new ATOM 378 N SER A 24 4.107 -5.598 2.034 1.00 0.00 N ATOM 379 CA SER A 24 2.970 -5.577 2.946 1.00 0.00 C ATOM 380 C SER A 24 2.027 -4.434 2.604 1.00 0.00 C ATOM 381 O SER A 24 2.467 -3.350 2.211 1.00 0.00 O ATOM 382 CB SER A 24 3.454 -5.439 4.393 1.00 0.00 C ATOM 383 OG SER A 24 4.108 -4.194 4.603 1.00 0.00 O ATOM 0 H SER A 24 4.624 -4.720 1.980 1.00 0.00 H new ATOM 0 HA SER A 24 2.429 -6.517 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.606 -5.526 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.137 -6.255 4.630 1.00 0.00 H new ATOM 0 HG SER A 24 5.073 -4.306 4.474 1.00 0.00 H new ATOM 389 N LEU A 25 0.737 -4.672 2.778 1.00 0.00 N ATOM 390 CA LEU A 25 -0.271 -3.663 2.501 1.00 0.00 C ATOM 391 C LEU A 25 -0.949 -3.264 3.807 1.00 0.00 C ATOM 392 O LEU A 25 -0.392 -3.482 4.881 1.00 0.00 O ATOM 393 CB LEU A 25 -1.322 -4.177 1.504 1.00 0.00 C ATOM 394 CG LEU A 25 -0.802 -5.063 0.368 1.00 0.00 C ATOM 395 CD1 LEU A 25 -0.716 -6.521 0.809 1.00 0.00 C ATOM 396 CD2 LEU A 25 -1.667 -4.912 -0.878 1.00 0.00 C ATOM 0 H LEU A 25 0.363 -5.560 3.112 1.00 0.00 H new ATOM 0 HA LEU A 25 0.219 -2.799 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.074 -4.738 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.826 -3.317 1.064 1.00 0.00 H new ATOM 0 HG LEU A 25 0.206 -4.733 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.344 -7.129 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.037 -6.605 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.706 -6.872 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.278 -5.551 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.692 -5.204 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.651 -3.873 -1.208 1.00 0.00 H new ATOM 408 N ASP A 26 -2.123 -2.666 3.719 1.00 0.00 N ATOM 409 CA ASP A 26 -2.900 -2.335 4.912 1.00 0.00 C ATOM 410 C ASP A 26 -3.741 -3.537 5.324 1.00 0.00 C ATOM 411 O ASP A 26 -4.008 -3.762 6.503 1.00 0.00 O ATOM 412 CB ASP A 26 -3.807 -1.133 4.638 1.00 0.00 C ATOM 413 CG ASP A 26 -4.430 -0.565 5.900 1.00 0.00 C ATOM 414 OD1 ASP A 26 -3.815 0.330 6.511 1.00 0.00 O ATOM 415 OD2 ASP A 26 -5.536 -1.005 6.283 1.00 0.00 O ATOM 0 H ASP A 26 -2.563 -2.398 2.839 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.216 -2.078 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.229 -0.354 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.598 -1.430 3.950 1.00 0.00 H new ATOM 420 N ASN A 27 -4.119 -4.326 4.325 1.00 0.00 N ATOM 421 CA ASN A 27 -4.988 -5.484 4.525 1.00 0.00 C ATOM 422 C ASN A 27 -4.220 -6.663 5.114 1.00 0.00 C ATOM 423 O ASN A 27 -4.793 -7.509 5.799 1.00 0.00 O ATOM 424 CB ASN A 27 -5.609 -5.915 3.187 1.00 0.00 C ATOM 425 CG ASN A 27 -4.564 -6.454 2.222 1.00 0.00 C ATOM 426 OD1 ASN A 27 -4.265 -7.648 2.207 1.00 0.00 O ATOM 427 ND2 ASN A 27 -4.005 -5.576 1.403 1.00 0.00 N ATOM 0 H ASN A 27 -3.834 -4.183 3.356 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.770 -5.190 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.365 -6.680 3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.118 -5.065 2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.301 -5.882 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.278 -4.594 1.444 1.00 0.00 H new ATOM 434 N GLY A 28 -2.921 -6.713 4.844 1.00 0.00 N ATOM 435 CA GLY A 28 -2.140 -7.874 5.208 1.00 0.00 C ATOM 436 C GLY A 28 -0.685 -7.559 5.455 1.00 0.00 C ATOM 437 O GLY A 28 -0.200 -6.472 5.124 1.00 0.00 O ATOM 0 H GLY A 28 -2.398 -5.970 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.565 -8.323 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.214 -8.617 4.414 1.00 0.00 H new ATOM 441 N GLU A 29 0.006 -8.529 6.025 1.00 0.00 N ATOM 442 CA GLU A 29 1.402 -8.385 6.393 1.00 0.00 C ATOM 443 C GLU A 29 2.317 -8.581 5.184 1.00 0.00 C ATOM 444 O GLU A 29 1.867 -8.551 4.037 1.00 0.00 O ATOM 445 CB GLU A 29 1.746 -9.407 7.481 1.00 0.00 C ATOM 446 CG GLU A 29 0.885 -9.277 8.724 1.00 0.00 C ATOM 447 CD GLU A 29 0.930 -10.519 9.584 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.098 -11.422 9.360 1.00 0.00 O ATOM 449 OE2 GLU A 29 1.796 -10.604 10.481 1.00 0.00 O ATOM 0 H GLU A 29 -0.388 -9.443 6.247 1.00 0.00 H new ATOM 0 HA GLU A 29 1.559 -7.375 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.634 -10.412 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.793 -9.291 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.221 -8.420 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.146 -9.078 8.430 1.00 0.00 H new ATOM 456 N LEU A 30 3.603 -8.760 5.459 1.00 0.00 N ATOM 457 CA LEU A 30 4.596 -9.026 4.432 1.00 0.00 C ATOM 458 C LEU A 30 4.275 -10.360 3.750 1.00 0.00 C ATOM 459 O LEU A 30 4.275 -11.413 4.391 1.00 0.00 O ATOM 460 CB LEU A 30 5.994 -9.033 5.108 1.00 0.00 C ATOM 461 CG LEU A 30 7.264 -9.146 4.228 1.00 0.00 C ATOM 462 CD1 LEU A 30 8.489 -9.406 5.082 1.00 0.00 C ATOM 463 CD2 LEU A 30 7.161 -10.208 3.163 1.00 0.00 C ATOM 0 H LEU A 30 3.985 -8.724 6.404 1.00 0.00 H new ATOM 0 HA LEU A 30 4.588 -8.258 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.080 -8.116 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.011 -9.862 5.815 1.00 0.00 H new ATOM 0 HG LEU A 30 7.360 -8.186 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.369 -9.482 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.622 -8.585 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.358 -10.338 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.084 -10.233 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.000 -11.179 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.324 -9.981 2.502 1.00 0.00 H new ATOM 475 N ARG A 31 3.963 -10.295 2.462 1.00 0.00 N ATOM 476 CA ARG A 31 3.817 -11.491 1.644 1.00 0.00 C ATOM 477 C ARG A 31 4.993 -11.576 0.683 1.00 0.00 C ATOM 478 O ARG A 31 5.278 -10.613 -0.026 1.00 0.00 O ATOM 479 CB ARG A 31 2.523 -11.466 0.832 1.00 0.00 C ATOM 480 CG ARG A 31 1.270 -11.149 1.629 1.00 0.00 C ATOM 481 CD ARG A 31 0.029 -11.435 0.802 1.00 0.00 C ATOM 482 NE ARG A 31 -1.192 -10.915 1.412 1.00 0.00 N ATOM 483 CZ ARG A 31 -2.393 -11.453 1.211 1.00 0.00 C ATOM 484 NH1 ARG A 31 -2.490 -12.616 0.576 1.00 0.00 N ATOM 485 NH2 ARG A 31 -3.485 -10.864 1.688 1.00 0.00 N ATOM 0 H ARG A 31 3.806 -9.421 1.960 1.00 0.00 H new ATOM 0 HA ARG A 31 3.788 -12.355 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.625 -10.728 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.394 -12.436 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.252 -11.745 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.279 -10.102 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.150 -10.997 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.070 -12.512 0.664 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.121 -10.100 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.648 -13.089 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.406 -13.036 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.407 -9.993 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.401 -11.283 1.529 1.00 0.00 H new ATOM 499 N SER A 32 5.668 -12.715 0.657 1.00 0.00 N ATOM 500 CA SER A 32 6.869 -12.868 -0.158 1.00 0.00 C ATOM 501 C SER A 32 6.512 -12.989 -1.638 1.00 0.00 C ATOM 502 O SER A 32 5.590 -13.716 -2.002 1.00 0.00 O ATOM 503 CB SER A 32 7.669 -14.081 0.311 1.00 0.00 C ATOM 504 OG SER A 32 7.836 -14.055 1.718 1.00 0.00 O ATOM 0 H SER A 32 5.408 -13.546 1.188 1.00 0.00 H new ATOM 0 HA SER A 32 7.486 -11.977 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.157 -14.997 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.644 -14.091 -0.176 1.00 0.00 H new ATOM 0 HG SER A 32 8.349 -14.840 2.001 1.00 0.00 H new ATOM 510 N TYR A 33 7.282 -12.291 -2.477 1.00 0.00 N ATOM 511 CA TYR A 33 6.940 -12.080 -3.892 1.00 0.00 C ATOM 512 C TYR A 33 6.650 -13.382 -4.647 1.00 0.00 C ATOM 513 O TYR A 33 5.906 -13.376 -5.627 1.00 0.00 O ATOM 514 CB TYR A 33 8.067 -11.333 -4.622 1.00 0.00 C ATOM 515 CG TYR A 33 8.460 -9.999 -4.010 1.00 0.00 C ATOM 516 CD1 TYR A 33 7.549 -8.949 -3.899 1.00 0.00 C ATOM 517 CD2 TYR A 33 9.755 -9.793 -3.547 1.00 0.00 C ATOM 518 CE1 TYR A 33 7.921 -7.738 -3.344 1.00 0.00 C ATOM 519 CE2 TYR A 33 10.133 -8.585 -2.990 1.00 0.00 C ATOM 520 CZ TYR A 33 9.214 -7.564 -2.892 1.00 0.00 C ATOM 521 OH TYR A 33 9.586 -6.365 -2.336 1.00 0.00 O ATOM 0 H TYR A 33 8.161 -11.855 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 33 6.027 -11.484 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.947 -11.975 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.761 -11.165 -5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.537 -9.084 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.479 -10.591 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.205 -6.934 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.143 -8.443 -2.634 1.00 0.00 H new ATOM 0 HH TYR A 33 10.265 -6.521 -1.647 1.00 0.00 H new ATOM 531 N GLN A 34 7.246 -14.488 -4.208 1.00 0.00 N ATOM 532 CA GLN A 34 7.074 -15.771 -4.891 1.00 0.00 C ATOM 533 C GLN A 34 5.679 -16.356 -4.678 1.00 0.00 C ATOM 534 O GLN A 34 5.174 -17.087 -5.530 1.00 0.00 O ATOM 535 CB GLN A 34 8.118 -16.776 -4.417 1.00 0.00 C ATOM 536 CG GLN A 34 9.540 -16.396 -4.793 1.00 0.00 C ATOM 537 CD GLN A 34 10.545 -17.483 -4.477 1.00 0.00 C ATOM 538 OE1 GLN A 34 10.360 -18.271 -3.548 1.00 0.00 O ATOM 539 NE2 GLN A 34 11.622 -17.527 -5.239 1.00 0.00 N ATOM 0 H GLN A 34 7.850 -14.524 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 34 7.203 -15.579 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.051 -16.874 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.888 -17.754 -4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.580 -16.170 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.819 -15.485 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.737 -16.856 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.339 -18.232 -5.068 1.00 0.00 H new ATOM 548 N ASP A 35 5.077 -16.060 -3.535 1.00 0.00 N ATOM 549 CA ASP A 35 3.735 -16.559 -3.219 1.00 0.00 C ATOM 550 C ASP A 35 2.716 -16.115 -4.273 1.00 0.00 C ATOM 551 O ASP A 35 2.606 -14.930 -4.590 1.00 0.00 O ATOM 552 CB ASP A 35 3.303 -16.097 -1.824 1.00 0.00 C ATOM 553 CG ASP A 35 1.802 -16.170 -1.611 1.00 0.00 C ATOM 554 OD1 ASP A 35 1.294 -17.243 -1.231 1.00 0.00 O ATOM 555 OD2 ASP A 35 1.123 -15.140 -1.820 1.00 0.00 O ATOM 0 H ASP A 35 5.492 -15.477 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 35 3.772 -17.648 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.801 -16.712 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.637 -15.071 -1.668 1.00 0.00 H new ATOM 560 N PRO A 36 1.956 -17.075 -4.834 1.00 0.00 N ATOM 561 CA PRO A 36 1.027 -16.815 -5.938 1.00 0.00 C ATOM 562 C PRO A 36 -0.211 -16.010 -5.535 1.00 0.00 C ATOM 563 O PRO A 36 -1.015 -15.644 -6.390 1.00 0.00 O ATOM 564 CB PRO A 36 0.606 -18.218 -6.408 1.00 0.00 C ATOM 565 CG PRO A 36 1.518 -19.175 -5.715 1.00 0.00 C ATOM 566 CD PRO A 36 1.952 -18.496 -4.452 1.00 0.00 C ATOM 0 HA PRO A 36 1.510 -16.208 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.435 -18.418 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.694 -18.310 -7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.006 -20.113 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.376 -19.418 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.264 -18.692 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.938 -18.832 -4.130 1.00 0.00 H new ATOM 574 N SER A 37 -0.372 -15.724 -4.249 1.00 0.00 N ATOM 575 CA SER A 37 -1.542 -14.993 -3.796 1.00 0.00 C ATOM 576 C SER A 37 -1.257 -13.494 -3.820 1.00 0.00 C ATOM 577 O SER A 37 -2.137 -12.690 -4.135 1.00 0.00 O ATOM 578 CB SER A 37 -1.963 -15.455 -2.396 1.00 0.00 C ATOM 579 OG SER A 37 -3.266 -14.994 -2.071 1.00 0.00 O ATOM 0 H SER A 37 0.284 -15.984 -3.513 1.00 0.00 H new ATOM 0 HA SER A 37 -2.372 -15.198 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.937 -16.544 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.250 -15.086 -1.659 1.00 0.00 H new ATOM 0 HG SER A 37 -3.509 -15.305 -1.174 1.00 0.00 H new ATOM 585 N ASN A 38 -0.020 -13.117 -3.508 1.00 0.00 N ATOM 586 CA ASN A 38 0.373 -11.714 -3.578 1.00 0.00 C ATOM 587 C ASN A 38 0.826 -11.359 -4.977 1.00 0.00 C ATOM 588 O ASN A 38 0.872 -10.185 -5.350 1.00 0.00 O ATOM 589 CB ASN A 38 1.465 -11.367 -2.572 1.00 0.00 C ATOM 590 CG ASN A 38 2.799 -12.011 -2.858 1.00 0.00 C ATOM 591 OD1 ASN A 38 3.614 -11.485 -3.612 1.00 0.00 O ATOM 592 ND2 ASN A 38 3.035 -13.142 -2.238 1.00 0.00 N ATOM 0 H ASN A 38 0.718 -13.754 -3.208 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.507 -11.125 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.594 -10.285 -2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.135 -11.667 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.925 -13.621 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.329 -13.542 -1.621 1.00 0.00 H new ATOM 599 N ALA A 39 1.153 -12.384 -5.744 1.00 0.00 N ATOM 600 CA ALA A 39 1.434 -12.223 -7.168 1.00 0.00 C ATOM 601 C ALA A 39 0.308 -11.446 -7.854 1.00 0.00 C ATOM 602 O ALA A 39 0.543 -10.692 -8.800 1.00 0.00 O ATOM 603 CB ALA A 39 1.617 -13.579 -7.829 1.00 0.00 C ATOM 0 H ALA A 39 1.232 -13.343 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 39 2.359 -11.656 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.826 -13.441 -8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.450 -14.103 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.707 -14.167 -7.712 1.00 0.00 H new ATOM 609 N GLN A 40 -0.912 -11.642 -7.352 1.00 0.00 N ATOM 610 CA GLN A 40 -2.078 -10.889 -7.799 1.00 0.00 C ATOM 611 C GLN A 40 -1.814 -9.386 -7.718 1.00 0.00 C ATOM 612 O GLN A 40 -1.979 -8.661 -8.701 1.00 0.00 O ATOM 613 CB GLN A 40 -3.283 -11.245 -6.929 1.00 0.00 C ATOM 614 CG GLN A 40 -4.484 -10.348 -7.159 1.00 0.00 C ATOM 615 CD GLN A 40 -5.097 -9.880 -5.858 1.00 0.00 C ATOM 616 OE1 GLN A 40 -5.990 -10.525 -5.314 1.00 0.00 O ATOM 617 NE2 GLN A 40 -4.612 -8.755 -5.345 1.00 0.00 N ATOM 0 H GLN A 40 -1.116 -12.327 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.284 -11.151 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.569 -12.278 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.993 -11.188 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.183 -9.483 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.233 -10.886 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.870 -8.251 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.982 -8.395 -4.465 1.00 0.00 H new ATOM 626 N PHE A 41 -1.405 -8.931 -6.531 1.00 0.00 N ATOM 627 CA PHE A 41 -1.091 -7.524 -6.304 1.00 0.00 C ATOM 628 C PHE A 41 -0.031 -7.078 -7.285 1.00 0.00 C ATOM 629 O PHE A 41 -0.255 -6.173 -8.079 1.00 0.00 O ATOM 630 CB PHE A 41 -0.553 -7.297 -4.892 1.00 0.00 C ATOM 631 CG PHE A 41 -1.433 -7.788 -3.792 1.00 0.00 C ATOM 632 CD1 PHE A 41 -2.522 -7.060 -3.366 1.00 0.00 C ATOM 633 CD2 PHE A 41 -1.143 -8.980 -3.172 1.00 0.00 C ATOM 634 CE1 PHE A 41 -3.309 -7.522 -2.332 1.00 0.00 C ATOM 635 CE2 PHE A 41 -1.924 -9.454 -2.139 1.00 0.00 C ATOM 636 CZ PHE A 41 -3.011 -8.723 -1.718 1.00 0.00 C ATOM 0 H PHE A 41 -1.284 -9.523 -5.710 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.010 -6.953 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.417 -7.787 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.384 -6.229 -4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.761 -6.122 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.289 -9.555 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.159 -6.944 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.684 -10.393 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.629 -9.087 -0.910 1.00 0.00 H new ATOM 646 N LEU A 42 1.105 -7.762 -7.225 1.00 0.00 N ATOM 647 CA LEU A 42 2.272 -7.455 -8.043 1.00 0.00 C ATOM 648 C LEU A 42 1.896 -7.079 -9.466 1.00 0.00 C ATOM 649 O LEU A 42 2.079 -5.939 -9.892 1.00 0.00 O ATOM 650 CB LEU A 42 3.198 -8.667 -8.081 1.00 0.00 C ATOM 651 CG LEU A 42 4.317 -8.668 -7.052 1.00 0.00 C ATOM 652 CD1 LEU A 42 3.771 -8.950 -5.675 1.00 0.00 C ATOM 653 CD2 LEU A 42 5.393 -9.678 -7.416 1.00 0.00 C ATOM 0 H LEU A 42 1.243 -8.555 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 42 2.771 -6.598 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.598 -9.566 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.642 -8.733 -9.075 1.00 0.00 H new ATOM 0 HG LEU A 42 4.771 -7.677 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.587 -8.947 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.046 -8.182 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.285 -9.926 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.181 -9.658 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.956 -10.676 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.814 -9.426 -8.389 1.00 0.00 H new ATOM 665 N GLU A 43 1.354 -8.047 -10.181 1.00 0.00 N ATOM 666 CA GLU A 43 1.018 -7.877 -11.587 1.00 0.00 C ATOM 667 C GLU A 43 -0.040 -6.797 -11.797 1.00 0.00 C ATOM 668 O GLU A 43 0.156 -5.895 -12.607 1.00 0.00 O ATOM 669 CB GLU A 43 0.558 -9.201 -12.189 1.00 0.00 C ATOM 670 CG GLU A 43 1.660 -10.248 -12.246 1.00 0.00 C ATOM 671 CD GLU A 43 2.817 -9.840 -13.139 1.00 0.00 C ATOM 672 OE1 GLU A 43 2.665 -9.886 -14.379 1.00 0.00 O ATOM 673 OE2 GLU A 43 3.889 -9.482 -12.612 1.00 0.00 O ATOM 0 H GLU A 43 1.134 -8.970 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 43 1.922 -7.549 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.274 -9.590 -11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.182 -9.023 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.033 -10.431 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.243 -11.188 -12.607 1.00 0.00 H new ATOM 680 N SER A 44 -1.142 -6.860 -11.060 1.00 0.00 N ATOM 681 CA SER A 44 -2.213 -5.895 -11.246 1.00 0.00 C ATOM 682 C SER A 44 -1.734 -4.476 -10.948 1.00 0.00 C ATOM 683 O SER A 44 -2.089 -3.536 -11.657 1.00 0.00 O ATOM 684 CB SER A 44 -3.411 -6.259 -10.372 1.00 0.00 C ATOM 685 OG SER A 44 -3.917 -7.531 -10.739 1.00 0.00 O ATOM 0 H SER A 44 -1.315 -7.560 -10.338 1.00 0.00 H new ATOM 0 HA SER A 44 -2.523 -5.926 -12.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.116 -6.266 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.191 -5.505 -10.479 1.00 0.00 H new ATOM 0 HG SER A 44 -3.441 -8.228 -10.242 1.00 0.00 H new ATOM 691 N ILE A 45 -0.885 -4.333 -9.938 1.00 0.00 N ATOM 692 CA ILE A 45 -0.411 -3.014 -9.532 1.00 0.00 C ATOM 693 C ILE A 45 0.527 -2.423 -10.587 1.00 0.00 C ATOM 694 O ILE A 45 0.451 -1.232 -10.900 1.00 0.00 O ATOM 695 CB ILE A 45 0.291 -3.059 -8.149 1.00 0.00 C ATOM 696 CG1 ILE A 45 -0.708 -3.454 -7.055 1.00 0.00 C ATOM 697 CG2 ILE A 45 0.923 -1.719 -7.806 1.00 0.00 C ATOM 698 CD1 ILE A 45 -0.102 -3.508 -5.667 1.00 0.00 C ATOM 0 H ILE A 45 -0.512 -5.107 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.285 -2.369 -9.442 1.00 0.00 H new ATOM 0 HB ILE A 45 1.081 -3.808 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.533 -2.741 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.130 -4.430 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.407 -1.784 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.664 -1.462 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.152 -0.949 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.868 -3.794 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.704 -4.242 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.295 -2.527 -5.405 1.00 0.00 H new ATOM 710 N ARG A 46 1.389 -3.257 -11.162 1.00 0.00 N ATOM 711 CA ARG A 46 2.305 -2.791 -12.200 1.00 0.00 C ATOM 712 C ARG A 46 1.568 -2.549 -13.518 1.00 0.00 C ATOM 713 O ARG A 46 1.960 -1.683 -14.297 1.00 0.00 O ATOM 714 CB ARG A 46 3.475 -3.770 -12.396 1.00 0.00 C ATOM 715 CG ARG A 46 3.054 -5.210 -12.646 1.00 0.00 C ATOM 716 CD ARG A 46 4.248 -6.153 -12.693 1.00 0.00 C ATOM 717 NE ARG A 46 5.178 -5.914 -11.588 1.00 0.00 N ATOM 718 CZ ARG A 46 5.917 -6.857 -11.007 1.00 0.00 C ATOM 719 NH1 ARG A 46 5.762 -8.135 -11.325 1.00 0.00 N ATOM 720 NH2 ARG A 46 6.793 -6.516 -10.077 1.00 0.00 N ATOM 0 H ARG A 46 1.473 -4.247 -10.931 1.00 0.00 H new ATOM 0 HA ARG A 46 2.721 -1.840 -11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.080 -3.430 -13.236 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.111 -3.739 -11.512 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.370 -5.530 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.507 -5.270 -13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.897 -7.184 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.771 -6.029 -13.641 1.00 0.00 H new ATOM 0 HE ARG A 46 5.266 -4.960 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.070 -8.407 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.335 -8.847 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.898 -5.537 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.363 -7.232 -9.627 1.00 0.00 H new ATOM 734 N ARG A 47 0.492 -3.298 -13.761 1.00 0.00 N ATOM 735 CA ARG A 47 -0.332 -3.071 -14.949 1.00 0.00 C ATOM 736 C ARG A 47 -1.107 -1.765 -14.833 1.00 0.00 C ATOM 737 O ARG A 47 -1.269 -1.032 -15.809 1.00 0.00 O ATOM 738 CB ARG A 47 -1.322 -4.217 -15.179 1.00 0.00 C ATOM 739 CG ARG A 47 -0.682 -5.581 -15.377 1.00 0.00 C ATOM 740 CD ARG A 47 0.470 -5.535 -16.363 1.00 0.00 C ATOM 741 NE ARG A 47 0.090 -4.956 -17.649 1.00 0.00 N ATOM 742 CZ ARG A 47 0.964 -4.663 -18.609 1.00 0.00 C ATOM 743 NH1 ARG A 47 2.245 -4.979 -18.461 1.00 0.00 N ATOM 744 NH2 ARG A 47 0.559 -4.080 -19.727 1.00 0.00 N ATOM 0 H ARG A 47 0.173 -4.058 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 47 0.349 -3.018 -15.798 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.000 -4.269 -14.327 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.928 -3.985 -16.055 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.323 -5.955 -14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.434 -6.285 -15.732 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.286 -4.953 -15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.847 -6.545 -16.522 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.897 -4.766 -17.820 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.560 -5.447 -17.611 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.914 -4.754 -19.197 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.427 -3.853 -19.856 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.233 -3.858 -20.459 1.00 0.00 H new ATOM 758 N GLY A 48 -1.583 -1.478 -13.632 1.00 0.00 N ATOM 759 CA GLY A 48 -2.389 -0.294 -13.414 1.00 0.00 C ATOM 760 C GLY A 48 -3.792 -0.648 -12.972 1.00 0.00 C ATOM 761 O GLY A 48 -4.673 0.211 -12.899 1.00 0.00 O ATOM 0 H GLY A 48 -1.425 -2.046 -12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.917 0.334 -12.659 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.433 0.291 -14.333 1.00 0.00 H new ATOM 765 N GLU A 49 -3.991 -1.924 -12.673 1.00 0.00 N ATOM 766 CA GLU A 49 -5.268 -2.423 -12.199 1.00 0.00 C ATOM 767 C GLU A 49 -5.360 -2.265 -10.690 1.00 0.00 C ATOM 768 O GLU A 49 -4.435 -1.766 -10.049 1.00 0.00 O ATOM 769 CB GLU A 49 -5.432 -3.894 -12.571 1.00 0.00 C ATOM 770 CG GLU A 49 -5.499 -4.146 -14.066 1.00 0.00 C ATOM 771 CD GLU A 49 -5.575 -5.620 -14.394 1.00 0.00 C ATOM 772 OE1 GLU A 49 -6.612 -6.248 -14.091 1.00 0.00 O ATOM 773 OE2 GLU A 49 -4.591 -6.163 -14.936 1.00 0.00 O ATOM 0 H GLU A 49 -3.269 -2.640 -12.753 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.064 -1.847 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.598 -4.459 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.341 -4.277 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.370 -3.638 -14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.621 -3.714 -14.545 1.00 0.00 H new ATOM 780 N VAL A 50 -6.472 -2.700 -10.127 1.00 0.00 N ATOM 781 CA VAL A 50 -6.715 -2.547 -8.704 1.00 0.00 C ATOM 782 C VAL A 50 -6.768 -3.899 -8.004 1.00 0.00 C ATOM 783 O VAL A 50 -7.481 -4.802 -8.442 1.00 0.00 O ATOM 784 CB VAL A 50 -8.040 -1.804 -8.445 1.00 0.00 C ATOM 785 CG1 VAL A 50 -8.353 -1.781 -6.960 1.00 0.00 C ATOM 786 CG2 VAL A 50 -7.987 -0.393 -9.013 1.00 0.00 C ATOM 0 H VAL A 50 -7.224 -3.164 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.886 -1.965 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.841 -2.340 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.292 -1.253 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.442 -2.803 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.551 -1.271 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.933 0.113 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.176 0.160 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.815 -0.440 -10.088 1.00 0.00 H new ATOM 796 N PRO A 51 -6.017 -4.057 -6.903 1.00 0.00 N ATOM 797 CA PRO A 51 -6.082 -5.259 -6.071 1.00 0.00 C ATOM 798 C PRO A 51 -7.377 -5.304 -5.256 1.00 0.00 C ATOM 799 O PRO A 51 -7.755 -4.318 -4.613 1.00 0.00 O ATOM 800 CB PRO A 51 -4.858 -5.130 -5.148 1.00 0.00 C ATOM 801 CG PRO A 51 -4.059 -4.001 -5.696 1.00 0.00 C ATOM 802 CD PRO A 51 -5.038 -3.094 -6.377 1.00 0.00 C ATOM 0 HA PRO A 51 -6.076 -6.176 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.162 -4.932 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.277 -6.052 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.529 -3.476 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.306 -4.360 -6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.492 -2.386 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.572 -2.509 -7.170 1.00 0.00 H new ATOM 810 N ALA A 52 -8.038 -6.462 -5.279 1.00 0.00 N ATOM 811 CA ALA A 52 -9.360 -6.631 -4.681 1.00 0.00 C ATOM 812 C ALA A 52 -9.334 -6.371 -3.187 1.00 0.00 C ATOM 813 O ALA A 52 -10.323 -5.935 -2.608 1.00 0.00 O ATOM 814 CB ALA A 52 -9.881 -8.032 -4.962 1.00 0.00 C ATOM 0 H ALA A 52 -7.671 -7.309 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.029 -5.899 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.867 -8.150 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.952 -8.185 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.198 -8.767 -4.536 1.00 0.00 H new ATOM 820 N GLU A 53 -8.196 -6.648 -2.574 1.00 0.00 N ATOM 821 CA GLU A 53 -7.992 -6.407 -1.154 1.00 0.00 C ATOM 822 C GLU A 53 -8.279 -4.952 -0.811 1.00 0.00 C ATOM 823 O GLU A 53 -8.948 -4.651 0.178 1.00 0.00 O ATOM 824 CB GLU A 53 -6.546 -6.731 -0.768 1.00 0.00 C ATOM 825 CG GLU A 53 -6.168 -8.207 -0.844 1.00 0.00 C ATOM 826 CD GLU A 53 -6.387 -8.823 -2.211 1.00 0.00 C ATOM 827 OE1 GLU A 53 -6.120 -8.140 -3.226 1.00 0.00 O ATOM 828 OE2 GLU A 53 -6.835 -9.986 -2.273 1.00 0.00 O ATOM 0 H GLU A 53 -7.385 -7.047 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.676 -7.050 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.878 -6.167 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.371 -6.380 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.119 -8.319 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.751 -8.761 -0.108 1.00 0.00 H new ATOM 835 N LEU A 54 -7.773 -4.057 -1.649 1.00 0.00 N ATOM 836 CA LEU A 54 -7.874 -2.630 -1.401 1.00 0.00 C ATOM 837 C LEU A 54 -9.194 -2.112 -1.944 1.00 0.00 C ATOM 838 O LEU A 54 -9.802 -1.201 -1.386 1.00 0.00 O ATOM 839 CB LEU A 54 -6.711 -1.895 -2.065 1.00 0.00 C ATOM 840 CG LEU A 54 -5.411 -2.675 -2.149 1.00 0.00 C ATOM 841 CD1 LEU A 54 -4.386 -1.873 -2.924 1.00 0.00 C ATOM 842 CD2 LEU A 54 -4.897 -2.999 -0.756 1.00 0.00 C ATOM 0 H LEU A 54 -7.286 -4.299 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.831 -2.451 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.011 -1.612 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.526 -0.972 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.591 -3.615 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.454 -2.435 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.759 -1.682 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.207 -0.925 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.965 -3.558 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.720 -2.073 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.637 -3.598 -0.226 1.00 0.00 H new ATOM 854 N ARG A 55 -9.628 -2.699 -3.049 1.00 0.00 N ATOM 855 CA ARG A 55 -10.918 -2.359 -3.638 1.00 0.00 C ATOM 856 C ARG A 55 -12.037 -2.686 -2.659 1.00 0.00 C ATOM 857 O ARG A 55 -12.985 -1.918 -2.500 1.00 0.00 O ATOM 858 CB ARG A 55 -11.123 -3.125 -4.943 1.00 0.00 C ATOM 859 CG ARG A 55 -12.338 -2.672 -5.739 1.00 0.00 C ATOM 860 CD ARG A 55 -12.155 -1.272 -6.299 1.00 0.00 C ATOM 861 NE ARG A 55 -13.296 -0.870 -7.122 1.00 0.00 N ATOM 862 CZ ARG A 55 -13.325 0.213 -7.903 1.00 0.00 C ATOM 863 NH1 ARG A 55 -12.283 1.031 -7.960 1.00 0.00 N ATOM 864 NH2 ARG A 55 -14.414 0.479 -8.613 1.00 0.00 N ATOM 0 H ARG A 55 -9.107 -3.414 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.935 -1.291 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.233 -3.013 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.224 -4.187 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.518 -3.370 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.221 -2.695 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.029 -0.565 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.243 -1.234 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.129 -1.459 -7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.450 0.835 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.314 1.856 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.222 -0.142 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.444 1.304 -9.212 1.00 0.00 H new ATOM 980 N VAL A 63 -9.582 3.852 -4.679 1.00 0.00 N ATOM 981 CA VAL A 63 -8.655 2.905 -4.103 1.00 0.00 C ATOM 982 C VAL A 63 -7.254 3.141 -4.667 1.00 0.00 C ATOM 983 O VAL A 63 -6.964 2.799 -5.815 1.00 0.00 O ATOM 984 CB VAL A 63 -9.111 1.450 -4.373 1.00 0.00 C ATOM 985 CG1 VAL A 63 -9.480 1.252 -5.836 1.00 0.00 C ATOM 986 CG2 VAL A 63 -8.035 0.465 -3.961 1.00 0.00 C ATOM 0 HA VAL A 63 -8.633 3.054 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.001 1.264 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.796 0.221 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.295 1.926 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.614 1.467 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.376 -0.551 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.126 0.660 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.828 0.577 -2.897 1.00 0.00 H new ATOM 996 N ASN A 64 -6.389 3.753 -3.877 1.00 0.00 N ATOM 997 CA ASN A 64 -5.045 4.034 -4.333 1.00 0.00 C ATOM 998 C ASN A 64 -4.023 3.674 -3.270 1.00 0.00 C ATOM 999 O ASN A 64 -4.355 3.572 -2.089 1.00 0.00 O ATOM 1000 CB ASN A 64 -4.923 5.503 -4.684 1.00 0.00 C ATOM 1001 CG ASN A 64 -3.743 5.771 -5.597 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -3.122 6.829 -5.533 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -3.422 4.807 -6.458 1.00 0.00 N ATOM 0 H ASN A 64 -6.593 4.061 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.848 3.427 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.840 5.838 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.814 6.087 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.636 4.933 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.963 3.942 -6.480 1.00 0.00 H new ATOM 1010 N LEU A 65 -2.780 3.496 -3.691 1.00 0.00 N ATOM 1011 CA LEU A 65 -1.728 3.072 -2.793 1.00 0.00 C ATOM 1012 C LEU A 65 -0.457 3.880 -3.003 1.00 0.00 C ATOM 1013 O LEU A 65 -0.303 4.580 -4.007 1.00 0.00 O ATOM 1014 CB LEU A 65 -1.426 1.594 -3.018 1.00 0.00 C ATOM 1015 CG LEU A 65 -0.460 1.283 -4.149 1.00 0.00 C ATOM 1016 CD1 LEU A 65 0.205 -0.059 -3.906 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -1.200 1.262 -5.467 1.00 0.00 C ATOM 0 H LEU A 65 -2.479 3.641 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.073 3.235 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.021 1.180 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.365 1.076 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 65 0.307 2.057 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.896 -0.275 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.753 -0.028 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.555 -0.839 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.501 1.038 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.976 0.497 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.657 2.236 -5.643 1.00 0.00 H new ATOM 1029 N ASP A 66 0.440 3.771 -2.040 1.00 0.00 N ATOM 1030 CA ASP A 66 1.781 4.319 -2.156 1.00 0.00 C ATOM 1031 C ASP A 66 2.779 3.219 -1.850 1.00 0.00 C ATOM 1032 O ASP A 66 2.547 2.408 -0.954 1.00 0.00 O ATOM 1033 CB ASP A 66 2.005 5.491 -1.189 1.00 0.00 C ATOM 1034 CG ASP A 66 1.308 6.768 -1.610 1.00 0.00 C ATOM 1035 OD1 ASP A 66 0.113 6.934 -1.286 1.00 0.00 O ATOM 1036 OD2 ASP A 66 1.963 7.630 -2.239 1.00 0.00 O ATOM 0 H ASP A 66 0.260 3.299 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 66 1.913 4.697 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.653 5.205 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.075 5.682 -1.105 1.00 0.00 H new ATOM 1041 N MET A 67 3.877 3.176 -2.586 1.00 0.00 N ATOM 1042 CA MET A 67 4.861 2.120 -2.398 1.00 0.00 C ATOM 1043 C MET A 67 6.155 2.650 -1.794 1.00 0.00 C ATOM 1044 O MET A 67 6.796 3.556 -2.334 1.00 0.00 O ATOM 1045 CB MET A 67 5.149 1.389 -3.712 1.00 0.00 C ATOM 1046 CG MET A 67 4.022 0.462 -4.145 1.00 0.00 C ATOM 1047 SD MET A 67 4.420 -0.487 -5.627 1.00 0.00 S ATOM 1048 CE MET A 67 4.442 0.807 -6.863 1.00 0.00 C ATOM 0 H MET A 67 4.109 3.853 -3.313 1.00 0.00 H new ATOM 0 HA MET A 67 4.430 1.409 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.327 2.124 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.066 0.809 -3.604 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.791 -0.225 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.124 1.052 -4.328 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.462 0.360 -7.857 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.549 1.424 -6.760 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.329 1.426 -6.726 1.00 0.00 H new ATOM 1058 N GLU A 68 6.527 2.069 -0.665 1.00 0.00 N ATOM 1059 CA GLU A 68 7.763 2.398 0.022 1.00 0.00 C ATOM 1060 C GLU A 68 8.780 1.298 -0.194 1.00 0.00 C ATOM 1061 O GLU A 68 8.417 0.149 -0.437 1.00 0.00 O ATOM 1062 CB GLU A 68 7.525 2.524 1.522 1.00 0.00 C ATOM 1063 CG GLU A 68 6.780 3.766 1.954 1.00 0.00 C ATOM 1064 CD GLU A 68 6.589 3.782 3.451 1.00 0.00 C ATOM 1065 OE1 GLU A 68 7.595 3.639 4.182 1.00 0.00 O ATOM 1066 OE2 GLU A 68 5.436 3.858 3.908 1.00 0.00 O ATOM 0 H GLU A 68 5.975 1.350 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 68 8.128 3.344 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.968 1.650 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.489 2.503 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.332 4.653 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.810 3.805 1.459 1.00 0.00 H new ATOM 1073 N ASP A 69 10.045 1.638 -0.072 1.00 0.00 N ATOM 1074 CA ASP A 69 11.102 0.652 -0.180 1.00 0.00 C ATOM 1075 C ASP A 69 11.762 0.422 1.175 1.00 0.00 C ATOM 1076 O ASP A 69 12.334 1.334 1.768 1.00 0.00 O ATOM 1077 CB ASP A 69 12.131 1.089 -1.219 1.00 0.00 C ATOM 1078 CG ASP A 69 13.379 0.233 -1.184 1.00 0.00 C ATOM 1079 OD1 ASP A 69 13.303 -0.955 -1.557 1.00 0.00 O ATOM 1080 OD2 ASP A 69 14.439 0.743 -0.761 1.00 0.00 O ATOM 0 H ASP A 69 10.368 2.590 0.102 1.00 0.00 H new ATOM 0 HA ASP A 69 10.665 -0.292 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.686 1.038 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.402 2.130 -1.044 1.00 0.00 H new ATOM 1085 N HIS A 70 11.624 -0.792 1.681 1.00 0.00 N ATOM 1086 CA HIS A 70 12.263 -1.205 2.927 1.00 0.00 C ATOM 1087 C HIS A 70 12.801 -2.613 2.755 1.00 0.00 C ATOM 1088 O HIS A 70 12.661 -3.465 3.631 1.00 0.00 O ATOM 1089 CB HIS A 70 11.282 -1.189 4.104 1.00 0.00 C ATOM 1090 CG HIS A 70 10.721 0.155 4.440 1.00 0.00 C ATOM 1091 ND1 HIS A 70 11.323 1.026 5.321 1.00 0.00 N ATOM 1092 CD2 HIS A 70 9.574 0.754 4.047 1.00 0.00 C ATOM 1093 CE1 HIS A 70 10.568 2.098 5.464 1.00 0.00 C ATOM 1094 NE2 HIS A 70 9.501 1.961 4.699 1.00 0.00 N ATOM 0 H HIS A 70 11.065 -1.523 1.241 1.00 0.00 H new ATOM 0 HA HIS A 70 13.065 -0.501 3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.457 -1.865 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.788 -1.586 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.850 0.357 3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.786 2.944 6.099 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.746 2.640 4.607 1.00 0.00 H new ATOM 1103 N ARG A 71 13.373 -2.874 1.600 1.00 0.00 N ATOM 1104 CA ARG A 71 13.879 -4.194 1.311 1.00 0.00 C ATOM 1105 C ARG A 71 15.170 -4.425 2.079 1.00 0.00 C ATOM 1106 O ARG A 71 15.987 -3.515 2.213 1.00 0.00 O ATOM 1107 CB ARG A 71 14.051 -4.373 -0.194 1.00 0.00 C ATOM 1108 CG ARG A 71 12.771 -4.056 -0.955 1.00 0.00 C ATOM 1109 CD ARG A 71 12.885 -4.376 -2.433 1.00 0.00 C ATOM 1110 NE ARG A 71 13.173 -5.789 -2.649 1.00 0.00 N ATOM 1111 CZ ARG A 71 13.564 -6.309 -3.809 1.00 0.00 C ATOM 1112 NH1 ARG A 71 13.681 -5.542 -4.890 1.00 0.00 N ATOM 1113 NH2 ARG A 71 13.829 -7.605 -3.885 1.00 0.00 N ATOM 0 H ARG A 71 13.498 -2.193 0.851 1.00 0.00 H new ATOM 0 HA ARG A 71 13.164 -4.948 1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.853 -3.725 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.354 -5.399 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.946 -4.624 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.530 -3.000 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.956 -4.111 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.674 -3.770 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 71 13.067 -6.422 -1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.470 -4.546 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.982 -5.950 -5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.732 -8.195 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.129 -8.013 -4.770 1.00 0.00 H new ATOM 1127 N ASP A 72 15.304 -5.638 2.617 1.00 0.00 N ATOM 1128 CA ASP A 72 16.396 -6.010 3.525 1.00 0.00 C ATOM 1129 C ASP A 72 16.187 -5.394 4.917 1.00 0.00 C ATOM 1130 O ASP A 72 16.950 -5.652 5.844 1.00 0.00 O ATOM 1131 CB ASP A 72 17.753 -5.611 2.940 1.00 0.00 C ATOM 1132 CG ASP A 72 18.924 -6.269 3.643 1.00 0.00 C ATOM 1133 OD1 ASP A 72 19.178 -7.464 3.382 1.00 0.00 O ATOM 1134 OD2 ASP A 72 19.609 -5.592 4.440 1.00 0.00 O ATOM 0 H ASP A 72 14.651 -6.400 2.434 1.00 0.00 H new ATOM 0 HA ASP A 72 16.388 -7.094 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.777 -5.875 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.863 -4.528 3.001 1.00 0.00 H new ATOM 1139 N GLU A 73 15.127 -4.599 5.056 1.00 0.00 N ATOM 1140 CA GLU A 73 14.776 -3.983 6.336 1.00 0.00 C ATOM 1141 C GLU A 73 13.957 -4.953 7.185 1.00 0.00 C ATOM 1142 O GLU A 73 14.018 -4.926 8.415 1.00 0.00 O ATOM 1143 CB GLU A 73 13.957 -2.713 6.093 1.00 0.00 C ATOM 1144 CG GLU A 73 13.711 -1.874 7.332 1.00 0.00 C ATOM 1145 CD GLU A 73 14.983 -1.294 7.910 1.00 0.00 C ATOM 1146 OE1 GLU A 73 15.627 -1.966 8.740 1.00 0.00 O ATOM 1147 OE2 GLU A 73 15.333 -0.155 7.541 1.00 0.00 O ATOM 0 H GLU A 73 14.492 -4.365 4.293 1.00 0.00 H new ATOM 0 HA GLU A 73 15.696 -3.733 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.471 -2.101 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.995 -2.993 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.026 -1.062 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.220 -2.486 8.088 1.00 0.00 H new ATOM 1154 N ASP A 74 13.193 -5.800 6.488 1.00 0.00 N ATOM 1155 CA ASP A 74 12.294 -6.787 7.101 1.00 0.00 C ATOM 1156 C ASP A 74 10.993 -6.140 7.572 1.00 0.00 C ATOM 1157 O ASP A 74 10.938 -4.945 7.847 1.00 0.00 O ATOM 1158 CB ASP A 74 12.952 -7.550 8.253 1.00 0.00 C ATOM 1159 CG ASP A 74 13.907 -8.611 7.765 1.00 0.00 C ATOM 1160 OD1 ASP A 74 13.439 -9.595 7.165 1.00 0.00 O ATOM 1161 OD2 ASP A 74 15.128 -8.469 7.980 1.00 0.00 O ATOM 0 H ASP A 74 13.180 -5.821 5.468 1.00 0.00 H new ATOM 0 HA ASP A 74 12.063 -7.511 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.488 -6.848 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.180 -8.014 8.867 1.00 0.00 H new ATOM 1166 N PHE A 75 9.961 -6.967 7.683 1.00 0.00 N ATOM 1167 CA PHE A 75 8.578 -6.518 7.865 1.00 0.00 C ATOM 1168 C PHE A 75 8.344 -5.704 9.138 1.00 0.00 C ATOM 1169 O PHE A 75 8.582 -6.180 10.249 1.00 0.00 O ATOM 1170 CB PHE A 75 7.663 -7.738 7.868 1.00 0.00 C ATOM 1171 CG PHE A 75 6.252 -7.463 8.298 1.00 0.00 C ATOM 1172 CD1 PHE A 75 5.416 -6.674 7.527 1.00 0.00 C ATOM 1173 CD2 PHE A 75 5.761 -8.006 9.474 1.00 0.00 C ATOM 1174 CE1 PHE A 75 4.119 -6.435 7.918 1.00 0.00 C ATOM 1175 CE2 PHE A 75 4.462 -7.772 9.871 1.00 0.00 C ATOM 1176 CZ PHE A 75 3.639 -6.986 9.092 1.00 0.00 C ATOM 0 H PHE A 75 10.058 -7.982 7.649 1.00 0.00 H new ATOM 0 HA PHE A 75 8.355 -5.847 7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.646 -8.165 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.089 -8.493 8.529 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.786 -6.242 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.404 -8.620 10.087 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.476 -5.817 7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.090 -8.203 10.789 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.620 -6.801 9.399 1.00 0.00 H new ATOM 1186 N VAL A 76 7.836 -4.484 8.947 1.00 0.00 N ATOM 1187 CA VAL A 76 7.407 -3.615 10.040 1.00 0.00 C ATOM 1188 C VAL A 76 6.261 -2.692 9.589 1.00 0.00 C ATOM 1189 O VAL A 76 6.489 -1.732 8.853 1.00 0.00 O ATOM 1190 CB VAL A 76 8.570 -2.735 10.591 1.00 0.00 C ATOM 1191 CG1 VAL A 76 9.555 -3.561 11.397 1.00 0.00 C ATOM 1192 CG2 VAL A 76 9.304 -2.014 9.470 1.00 0.00 C ATOM 0 H VAL A 76 7.711 -4.071 8.023 1.00 0.00 H new ATOM 0 HA VAL A 76 7.065 -4.275 10.837 1.00 0.00 H new ATOM 0 HB VAL A 76 8.118 -1.991 11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.353 -2.917 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.040 -4.021 12.240 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.981 -4.340 10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.108 -1.410 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.723 -2.746 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.607 -1.369 8.935 1.00 0.00 H new