USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.22) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 46 TYR OH : rot 60:sc= 1.01 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -161:sc= -0.0232 (180deg=-0.278) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 75 SER OG : rot -17:sc= 0.691 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.76) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.871 -15.753 1.737 1.00 0.00 N ATOM 232 CA ARG A 18 36.197 -15.491 2.285 1.00 0.00 C ATOM 233 C ARG A 18 36.858 -16.784 2.751 1.00 0.00 C ATOM 234 O ARG A 18 36.900 -17.077 3.947 1.00 0.00 O ATOM 235 CB ARG A 18 36.104 -14.504 3.450 1.00 0.00 C ATOM 236 CG ARG A 18 35.390 -13.210 3.097 1.00 0.00 C ATOM 237 CD ARG A 18 36.207 -12.369 2.128 1.00 0.00 C ATOM 238 NE ARG A 18 35.581 -11.076 1.863 1.00 0.00 N ATOM 239 CZ ARG A 18 36.110 -10.153 1.068 1.00 0.00 C ATOM 240 NH1 ARG A 18 37.269 -10.379 0.464 1.00 0.00 N ATOM 241 NH2 ARG A 18 35.480 -9.001 0.876 1.00 0.00 N ATOM 0 HA ARG A 18 36.809 -15.055 1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 18 35.583 -14.982 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.110 -14.270 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 18 34.420 -13.437 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.200 -12.639 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.205 -12.212 2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 36.329 -12.912 1.191 1.00 0.00 H new ATOM 0 HE ARG A 18 34.689 -10.871 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 18 37.756 -11.263 0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 18 37.673 -9.669 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 18 34.589 -8.824 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 18 35.887 -8.293 0.265 1.00 0.00 H new ATOM 255 N LEU A 19 37.372 -17.556 1.800 1.00 0.00 N ATOM 256 CA LEU A 19 38.031 -18.820 2.112 1.00 0.00 C ATOM 257 C LEU A 19 39.542 -18.703 1.939 1.00 0.00 C ATOM 258 O LEU A 19 40.024 -18.163 0.943 1.00 0.00 O ATOM 259 CB LEU A 19 37.488 -19.935 1.218 1.00 0.00 C ATOM 260 CG LEU A 19 35.976 -20.160 1.266 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.571 -21.274 0.314 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.530 -20.480 2.686 1.00 0.00 C ATOM 0 H LEU A 19 37.345 -17.329 0.806 1.00 0.00 H new ATOM 0 HA LEU A 19 37.821 -19.064 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.770 -19.717 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.982 -20.867 1.493 1.00 0.00 H new ATOM 0 HG LEU A 19 35.481 -19.242 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.492 -21.419 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.856 -21.005 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.075 -22.198 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.452 -20.637 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.033 -21.383 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.785 -19.649 3.344 1.00 0.00 H new ATOM 274 N LEU A 20 40.285 -19.214 2.915 1.00 0.00 N ATOM 275 CA LEU A 20 41.742 -19.170 2.870 1.00 0.00 C ATOM 276 C LEU A 20 42.317 -20.528 2.478 1.00 0.00 C ATOM 277 O LEU A 20 41.625 -21.544 2.528 1.00 0.00 O ATOM 278 CB LEU A 20 42.301 -18.739 4.227 1.00 0.00 C ATOM 279 CG LEU A 20 42.501 -17.236 4.424 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.944 -16.939 5.848 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.514 -16.697 3.425 1.00 0.00 C ATOM 0 H LEU A 20 39.902 -19.663 3.747 1.00 0.00 H new ATOM 0 HA LEU A 20 42.035 -18.441 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.630 -19.101 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.260 -19.235 4.377 1.00 0.00 H new ATOM 0 HG LEU A 20 41.548 -16.736 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.081 -15.865 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.184 -17.289 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.885 -17.450 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.644 -15.626 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.469 -17.202 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.156 -16.876 2.411 1.00 0.00 H new ATOM 293 N GLY A 21 43.588 -20.537 2.090 1.00 0.00 N ATOM 294 CA GLY A 21 44.235 -21.776 1.698 1.00 0.00 C ATOM 295 C GLY A 21 45.745 -21.650 1.648 1.00 0.00 C ATOM 296 O GLY A 21 46.314 -20.697 2.180 1.00 0.00 O ATOM 0 H GLY A 21 44.182 -19.709 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.962 -22.563 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.866 -22.081 0.719 1.00 0.00 H new ATOM 300 N TYR A 22 46.396 -22.616 1.008 1.00 0.00 N ATOM 301 CA TYR A 22 47.849 -22.612 0.894 1.00 0.00 C ATOM 302 C TYR A 22 48.291 -23.174 -0.454 1.00 0.00 C ATOM 303 O TYR A 22 47.723 -24.146 -0.951 1.00 0.00 O ATOM 304 CB TYR A 22 48.473 -23.426 2.028 1.00 0.00 C ATOM 305 CG TYR A 22 47.886 -23.120 3.388 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.176 -21.927 4.038 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.041 -24.023 4.021 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.643 -21.643 5.281 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.502 -23.747 5.262 1.00 0.00 C ATOM 310 CZ TYR A 22 46.806 -22.556 5.888 1.00 0.00 C ATOM 311 OH TYR A 22 46.272 -22.276 7.125 1.00 0.00 O ATOM 0 H TYR A 22 45.940 -23.411 0.561 1.00 0.00 H new ATOM 0 HA TYR A 22 48.191 -21.580 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.343 -24.487 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.546 -23.235 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.829 -21.209 3.564 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.802 -24.957 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 22 47.880 -20.712 5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.846 -24.460 5.740 1.00 0.00 H new ATOM 0 HH TYR A 22 45.703 -23.021 7.412 1.00 0.00 H new ATOM 321 N VAL A 23 49.311 -22.555 -1.040 1.00 0.00 N ATOM 322 CA VAL A 23 49.833 -22.993 -2.329 1.00 0.00 C ATOM 323 C VAL A 23 50.343 -24.428 -2.257 1.00 0.00 C ATOM 324 O VAL A 23 51.183 -24.757 -1.420 1.00 0.00 O ATOM 325 CB VAL A 23 50.973 -22.078 -2.814 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.377 -22.436 -4.236 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.560 -20.617 -2.719 1.00 0.00 C ATOM 0 H VAL A 23 49.792 -21.748 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 23 49.008 -22.939 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 23 51.838 -22.230 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.184 -21.779 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.717 -23.471 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.520 -22.315 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.377 -19.985 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.681 -20.446 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.326 -20.372 -1.683 1.00 0.00 H new ATOM 337 N ALA A 24 49.830 -25.278 -3.140 1.00 0.00 N ATOM 338 CA ALA A 24 50.235 -26.677 -3.178 1.00 0.00 C ATOM 339 C ALA A 24 51.167 -26.947 -4.355 1.00 0.00 C ATOM 340 O ALA A 24 52.064 -27.787 -4.271 1.00 0.00 O ATOM 341 CB ALA A 24 49.012 -27.580 -3.253 1.00 0.00 C ATOM 0 H ALA A 24 49.133 -25.022 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 24 50.779 -26.897 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.330 -28.622 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.384 -27.416 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.445 -27.350 -4.155 1.00 0.00 H new ATOM 347 N THR A 25 50.948 -26.231 -5.454 1.00 0.00 N ATOM 348 CA THR A 25 51.766 -26.394 -6.648 1.00 0.00 C ATOM 349 C THR A 25 51.806 -25.109 -7.468 1.00 0.00 C ATOM 350 O THR A 25 50.781 -24.456 -7.667 1.00 0.00 O ATOM 351 CB THR A 25 51.242 -27.539 -7.536 1.00 0.00 C ATOM 352 OG1 THR A 25 50.941 -28.685 -6.730 1.00 0.00 O ATOM 353 CG2 THR A 25 52.266 -27.914 -8.596 1.00 0.00 C ATOM 0 H THR A 25 50.210 -25.532 -5.541 1.00 0.00 H new ATOM 0 HA THR A 25 52.773 -26.637 -6.309 1.00 0.00 H new ATOM 0 HB THR A 25 50.335 -27.197 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 25 50.607 -29.408 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 25 51.874 -28.724 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.472 -27.048 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.188 -28.239 -8.113 1.00 0.00 H new ATOM 361 N LEU A 26 52.994 -24.752 -7.941 1.00 0.00 N ATOM 362 CA LEU A 26 53.168 -23.544 -8.740 1.00 0.00 C ATOM 363 C LEU A 26 53.803 -23.869 -10.088 1.00 0.00 C ATOM 364 O LEU A 26 55.018 -24.037 -10.190 1.00 0.00 O ATOM 365 CB LEU A 26 54.032 -22.530 -7.988 1.00 0.00 C ATOM 366 CG LEU A 26 53.324 -21.257 -7.525 1.00 0.00 C ATOM 367 CD1 LEU A 26 54.233 -20.439 -6.621 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.874 -20.431 -8.721 1.00 0.00 C ATOM 0 H LEU A 26 53.852 -25.282 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 26 52.183 -23.112 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.458 -23.023 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.865 -22.245 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 26 52.441 -21.543 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.712 -19.537 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.504 -21.030 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 55.135 -20.163 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 26 52.372 -19.529 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.742 -20.155 -9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.185 -21.017 -9.329 1.00 0.00 H new ATOM 380 N LYS A 27 52.973 -23.956 -11.122 1.00 0.00 N ATOM 381 CA LYS A 27 53.452 -24.258 -12.465 1.00 0.00 C ATOM 382 C LYS A 27 53.636 -22.979 -13.277 1.00 0.00 C ATOM 383 O LYS A 27 53.360 -21.881 -12.795 1.00 0.00 O ATOM 384 CB LYS A 27 52.473 -25.192 -13.180 1.00 0.00 C ATOM 385 CG LYS A 27 52.225 -26.495 -12.440 1.00 0.00 C ATOM 386 CD LYS A 27 52.863 -27.673 -13.155 1.00 0.00 C ATOM 387 CE LYS A 27 52.389 -28.999 -12.578 1.00 0.00 C ATOM 388 NZ LYS A 27 52.851 -30.156 -13.394 1.00 0.00 N ATOM 0 H LYS A 27 51.964 -23.821 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 27 54.419 -24.754 -12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.523 -24.674 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.859 -25.416 -14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.625 -26.422 -11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.152 -26.663 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 52.621 -27.630 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.948 -27.606 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.758 -29.104 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 27 51.300 -29.004 -12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 52.508 -31.040 -12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 52.478 -30.070 -14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 53.891 -30.167 -13.424 1.00 0.00 H new ATOM 402 N ASP A 28 54.102 -23.130 -14.512 1.00 0.00 N ATOM 403 CA ASP A 28 54.321 -21.988 -15.392 1.00 0.00 C ATOM 404 C ASP A 28 53.087 -21.717 -16.247 1.00 0.00 C ATOM 405 O ASP A 28 53.191 -21.498 -17.453 1.00 0.00 O ATOM 406 CB ASP A 28 55.535 -22.233 -16.289 1.00 0.00 C ATOM 407 CG ASP A 28 56.189 -20.943 -16.744 1.00 0.00 C ATOM 408 OD1 ASP A 28 55.927 -19.894 -16.120 1.00 0.00 O ATOM 409 OD2 ASP A 28 56.961 -20.982 -17.724 1.00 0.00 O ATOM 0 H ASP A 28 54.335 -24.032 -14.926 1.00 0.00 H new ATOM 0 HA ASP A 28 54.510 -21.113 -14.771 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.265 -22.837 -15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.228 -22.809 -17.162 1.00 0.00 H new ATOM 414 N ASN A 29 51.918 -21.736 -15.614 1.00 0.00 N ATOM 415 CA ASN A 29 50.664 -21.494 -16.317 1.00 0.00 C ATOM 416 C ASN A 29 49.498 -21.407 -15.336 1.00 0.00 C ATOM 417 O ASN A 29 48.604 -20.575 -15.491 1.00 0.00 O ATOM 418 CB ASN A 29 50.405 -22.604 -17.337 1.00 0.00 C ATOM 419 CG ASN A 29 50.187 -22.064 -18.737 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.749 -21.035 -19.112 1.00 0.00 O ATOM 421 ND2 ASN A 29 49.368 -22.758 -19.519 1.00 0.00 N ATOM 0 H ASN A 29 51.814 -21.917 -14.616 1.00 0.00 H new ATOM 0 HA ASN A 29 50.747 -20.541 -16.840 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.250 -23.292 -17.344 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.530 -23.177 -17.031 1.00 0.00 H new ATOM 0 HD21 ASN A 29 49.184 -22.443 -20.472 1.00 0.00 H new ATOM 0 HD22 ASN A 29 48.923 -23.606 -19.167 1.00 0.00 H new ATOM 428 N PHE A 30 49.516 -22.270 -14.327 1.00 0.00 N ATOM 429 CA PHE A 30 48.461 -22.292 -13.320 1.00 0.00 C ATOM 430 C PHE A 30 48.986 -22.832 -11.993 1.00 0.00 C ATOM 431 O PHE A 30 50.064 -23.421 -11.933 1.00 0.00 O ATOM 432 CB PHE A 30 47.285 -23.144 -13.801 1.00 0.00 C ATOM 433 CG PHE A 30 47.696 -24.488 -14.331 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.158 -25.474 -13.474 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.620 -24.766 -15.686 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.538 -26.711 -13.959 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.998 -26.002 -16.177 1.00 0.00 C ATOM 438 CZ PHE A 30 48.457 -26.976 -15.312 1.00 0.00 C ATOM 0 H PHE A 30 50.250 -22.964 -14.184 1.00 0.00 H new ATOM 0 HA PHE A 30 48.120 -21.268 -13.166 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.588 -23.286 -12.975 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.750 -22.603 -14.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.222 -25.273 -12.415 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.261 -24.008 -16.367 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.898 -27.470 -13.280 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.934 -26.206 -17.236 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.752 -27.943 -15.693 1.00 0.00 H new ATOM 448 N GLY A 31 48.215 -22.626 -10.930 1.00 0.00 N ATOM 449 CA GLY A 31 48.618 -23.097 -9.618 1.00 0.00 C ATOM 450 C GLY A 31 47.526 -23.887 -8.925 1.00 0.00 C ATOM 451 O GLY A 31 46.423 -24.031 -9.453 1.00 0.00 O ATOM 0 H GLY A 31 47.318 -22.141 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.507 -23.721 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.894 -22.244 -8.998 1.00 0.00 H new ATOM 455 N PHE A 32 47.832 -24.401 -7.738 1.00 0.00 N ATOM 456 CA PHE A 32 46.869 -25.184 -6.973 1.00 0.00 C ATOM 457 C PHE A 32 46.871 -24.764 -5.506 1.00 0.00 C ATOM 458 O PHE A 32 47.904 -24.371 -4.963 1.00 0.00 O ATOM 459 CB PHE A 32 47.184 -26.676 -7.088 1.00 0.00 C ATOM 460 CG PHE A 32 46.747 -27.282 -8.392 1.00 0.00 C ATOM 461 CD1 PHE A 32 47.572 -27.235 -9.504 1.00 0.00 C ATOM 462 CD2 PHE A 32 45.512 -27.899 -8.504 1.00 0.00 C ATOM 463 CE1 PHE A 32 47.172 -27.790 -10.704 1.00 0.00 C ATOM 464 CE2 PHE A 32 45.107 -28.457 -9.702 1.00 0.00 C ATOM 465 CZ PHE A 32 45.938 -28.404 -10.803 1.00 0.00 C ATOM 0 H PHE A 32 48.739 -24.289 -7.285 1.00 0.00 H new ATOM 0 HA PHE A 32 45.878 -24.997 -7.386 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.258 -26.823 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.698 -27.206 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 32 48.539 -26.759 -9.432 1.00 0.00 H new ATOM 0 HD2 PHE A 32 44.858 -27.945 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 32 47.823 -27.744 -11.564 1.00 0.00 H new ATOM 0 HE2 PHE A 32 44.141 -28.934 -9.777 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.624 -28.841 -11.739 1.00 0.00 H new ATOM 475 N ILE A 33 45.707 -24.851 -4.870 1.00 0.00 N ATOM 476 CA ILE A 33 45.575 -24.481 -3.466 1.00 0.00 C ATOM 477 C ILE A 33 44.978 -25.623 -2.651 1.00 0.00 C ATOM 478 O ILE A 33 43.921 -26.154 -2.990 1.00 0.00 O ATOM 479 CB ILE A 33 44.696 -23.228 -3.294 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.232 -22.081 -4.153 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.638 -22.819 -1.830 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.302 -20.890 -4.219 1.00 0.00 C ATOM 0 H ILE A 33 44.843 -25.174 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 33 46.579 -24.263 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 33 43.685 -23.463 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.194 -21.759 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.412 -22.448 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 33 44.013 -21.932 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.215 -23.633 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.644 -22.598 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.746 -20.116 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.347 -21.197 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 33 44.142 -20.497 -3.215 1.00 0.00 H new ATOM 494 N GLU A 34 45.662 -25.994 -1.573 1.00 0.00 N ATOM 495 CA GLU A 34 45.198 -27.073 -0.709 1.00 0.00 C ATOM 496 C GLU A 34 44.394 -26.522 0.465 1.00 0.00 C ATOM 497 O GLU A 34 44.649 -25.416 0.943 1.00 0.00 O ATOM 498 CB GLU A 34 46.385 -27.888 -0.191 1.00 0.00 C ATOM 499 CG GLU A 34 46.419 -29.314 -0.715 1.00 0.00 C ATOM 500 CD GLU A 34 47.641 -30.079 -0.245 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.721 -29.461 -0.136 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.519 -31.294 0.013 1.00 0.00 O ATOM 0 H GLU A 34 46.538 -25.564 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 34 44.550 -27.722 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.310 -27.385 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.352 -27.911 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.520 -29.838 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.402 -29.297 -1.805 1.00 0.00 H new ATOM 509 N THR A 35 43.421 -27.301 0.927 1.00 0.00 N ATOM 510 CA THR A 35 42.578 -26.892 2.043 1.00 0.00 C ATOM 511 C THR A 35 43.091 -27.466 3.358 1.00 0.00 C ATOM 512 O THR A 35 43.899 -28.394 3.368 1.00 0.00 O ATOM 513 CB THR A 35 41.117 -27.335 1.837 1.00 0.00 C ATOM 514 OG1 THR A 35 41.037 -28.765 1.822 1.00 0.00 O ATOM 515 CG2 THR A 35 40.561 -26.778 0.535 1.00 0.00 C ATOM 0 H THR A 35 43.197 -28.220 0.545 1.00 0.00 H new ATOM 0 HA THR A 35 42.616 -25.803 2.085 1.00 0.00 H new ATOM 0 HB THR A 35 40.522 -26.946 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.105 -29.039 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.528 -27.104 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.597 -25.689 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.159 -27.141 -0.301 1.00 0.00 H new ATOM 523 N ALA A 36 42.615 -26.909 4.467 1.00 0.00 N ATOM 524 CA ALA A 36 43.024 -27.369 5.789 1.00 0.00 C ATOM 525 C ALA A 36 42.770 -28.863 5.953 1.00 0.00 C ATOM 526 O ALA A 36 43.475 -29.544 6.696 1.00 0.00 O ATOM 527 CB ALA A 36 42.293 -26.585 6.869 1.00 0.00 C ATOM 0 H ALA A 36 41.946 -26.139 4.476 1.00 0.00 H new ATOM 0 HA ALA A 36 44.095 -27.196 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.607 -26.938 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.529 -25.525 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.218 -26.729 6.759 1.00 0.00 H new ATOM 533 N ASN A 37 41.757 -29.367 5.255 1.00 0.00 N ATOM 534 CA ASN A 37 41.409 -30.782 5.325 1.00 0.00 C ATOM 535 C ASN A 37 42.276 -31.603 4.375 1.00 0.00 C ATOM 536 O ASN A 37 42.472 -32.802 4.575 1.00 0.00 O ATOM 537 CB ASN A 37 39.931 -30.982 4.986 1.00 0.00 C ATOM 538 CG ASN A 37 39.012 -30.345 6.010 1.00 0.00 C ATOM 539 OD1 ASN A 37 38.440 -29.281 5.771 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.865 -30.994 7.159 1.00 0.00 N ATOM 0 H ASN A 37 41.163 -28.817 4.635 1.00 0.00 H new ATOM 0 HA ASN A 37 41.591 -31.126 6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.726 -30.557 4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.717 -32.049 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 37 38.259 -30.613 7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 37 39.358 -31.873 7.315 1.00 0.00 H new ATOM 547 N HIS A 38 42.794 -30.948 3.340 1.00 0.00 N ATOM 548 CA HIS A 38 43.641 -31.617 2.359 1.00 0.00 C ATOM 549 C HIS A 38 42.890 -32.758 1.680 1.00 0.00 C ATOM 550 O HIS A 38 43.444 -33.836 1.463 1.00 0.00 O ATOM 551 CB HIS A 38 44.908 -32.151 3.027 1.00 0.00 C ATOM 552 CG HIS A 38 45.663 -31.111 3.797 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.618 -30.297 3.226 1.00 0.00 N ATOM 554 CD2 HIS A 38 45.597 -30.753 5.101 1.00 0.00 C ATOM 555 CE1 HIS A 38 47.109 -29.485 4.145 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.506 -29.741 5.292 1.00 0.00 N ATOM 0 H HIS A 38 42.642 -29.956 3.159 1.00 0.00 H new ATOM 0 HA HIS A 38 43.920 -30.887 1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.639 -32.965 3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.562 -32.572 2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 38 44.950 -31.183 5.851 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.873 -28.739 3.986 1.00 0.00 H new ATOM 0 HE2 HIS A 38 46.686 -29.265 6.176 1.00 0.00 H new ATOM 564 N ASP A 39 41.626 -32.515 1.349 1.00 0.00 N ATOM 565 CA ASP A 39 40.799 -33.522 0.696 1.00 0.00 C ATOM 566 C ASP A 39 40.476 -33.113 -0.738 1.00 0.00 C ATOM 567 O ASP A 39 40.286 -33.962 -1.610 1.00 0.00 O ATOM 568 CB ASP A 39 39.505 -33.738 1.481 1.00 0.00 C ATOM 569 CG ASP A 39 38.822 -35.043 1.124 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.535 -36.024 0.828 1.00 0.00 O ATOM 571 OD2 ASP A 39 37.573 -35.083 1.138 1.00 0.00 O ATOM 0 H ASP A 39 41.152 -31.629 1.523 1.00 0.00 H new ATOM 0 HA ASP A 39 41.360 -34.456 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.725 -33.727 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.823 -32.910 1.287 1.00 0.00 H new ATOM 576 N LYS A 40 40.415 -31.807 -0.976 1.00 0.00 N ATOM 577 CA LYS A 40 40.115 -31.284 -2.303 1.00 0.00 C ATOM 578 C LYS A 40 41.089 -30.172 -2.683 1.00 0.00 C ATOM 579 O LYS A 40 41.484 -29.368 -1.840 1.00 0.00 O ATOM 580 CB LYS A 40 38.679 -30.758 -2.354 1.00 0.00 C ATOM 581 CG LYS A 40 38.162 -30.536 -3.765 1.00 0.00 C ATOM 582 CD LYS A 40 37.036 -29.516 -3.793 1.00 0.00 C ATOM 583 CE LYS A 40 35.698 -30.155 -3.455 1.00 0.00 C ATOM 584 NZ LYS A 40 34.646 -29.133 -3.195 1.00 0.00 N ATOM 0 H LYS A 40 40.570 -31.091 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 40 40.223 -32.098 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.024 -31.464 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.626 -29.818 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.978 -30.196 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.808 -31.481 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.249 -28.717 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.983 -29.058 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.384 -30.798 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.811 -30.792 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.749 -29.608 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.933 -28.535 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.520 -28.541 -4.041 1.00 0.00 H new ATOM 598 N GLU A 41 41.470 -30.134 -3.956 1.00 0.00 N ATOM 599 CA GLU A 41 42.396 -29.121 -4.445 1.00 0.00 C ATOM 600 C GLU A 41 41.661 -28.057 -5.255 1.00 0.00 C ATOM 601 O GLU A 41 40.548 -28.284 -5.732 1.00 0.00 O ATOM 602 CB GLU A 41 43.487 -29.766 -5.302 1.00 0.00 C ATOM 603 CG GLU A 41 44.314 -30.801 -4.557 1.00 0.00 C ATOM 604 CD GLU A 41 45.686 -31.002 -5.169 1.00 0.00 C ATOM 605 OE1 GLU A 41 46.017 -30.279 -6.133 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.429 -31.882 -4.686 1.00 0.00 O ATOM 0 H GLU A 41 41.151 -30.793 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 41 42.858 -28.642 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.025 -30.238 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.149 -28.987 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.426 -30.492 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.780 -31.751 -4.551 1.00 0.00 H new ATOM 613 N ILE A 42 42.290 -26.896 -5.406 1.00 0.00 N ATOM 614 CA ILE A 42 41.696 -25.798 -6.158 1.00 0.00 C ATOM 615 C ILE A 42 42.475 -25.526 -7.441 1.00 0.00 C ATOM 616 O ILE A 42 43.690 -25.718 -7.495 1.00 0.00 O ATOM 617 CB ILE A 42 41.642 -24.507 -5.320 1.00 0.00 C ATOM 618 CG1 ILE A 42 41.039 -24.791 -3.943 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.838 -23.438 -6.046 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.599 -25.250 -3.997 1.00 0.00 C ATOM 0 H ILE A 42 43.211 -26.692 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 42 40.680 -26.101 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 42 42.658 -24.139 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.637 -25.554 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 42 41.102 -23.889 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.809 -22.531 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.307 -23.219 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.822 -23.797 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.237 -25.433 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.989 -24.479 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.532 -26.170 -4.578 1.00 0.00 H new ATOM 632 N PHE A 43 41.767 -25.076 -8.472 1.00 0.00 N ATOM 633 CA PHE A 43 42.392 -24.776 -9.755 1.00 0.00 C ATOM 634 C PHE A 43 42.151 -23.322 -10.150 1.00 0.00 C ATOM 635 O PHE A 43 41.013 -22.909 -10.377 1.00 0.00 O ATOM 636 CB PHE A 43 41.850 -25.709 -10.840 1.00 0.00 C ATOM 637 CG PHE A 43 42.419 -25.437 -12.203 1.00 0.00 C ATOM 638 CD1 PHE A 43 43.588 -26.054 -12.616 1.00 0.00 C ATOM 639 CD2 PHE A 43 41.784 -24.563 -13.071 1.00 0.00 C ATOM 640 CE1 PHE A 43 44.114 -25.806 -13.870 1.00 0.00 C ATOM 641 CE2 PHE A 43 42.305 -24.311 -14.327 1.00 0.00 C ATOM 642 CZ PHE A 43 43.473 -24.933 -14.726 1.00 0.00 C ATOM 0 H PHE A 43 40.761 -24.911 -8.444 1.00 0.00 H new ATOM 0 HA PHE A 43 43.466 -24.933 -9.654 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.068 -26.740 -10.563 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.765 -25.613 -10.882 1.00 0.00 H new ATOM 0 HD1 PHE A 43 44.095 -26.737 -11.950 1.00 0.00 H new ATOM 0 HD2 PHE A 43 40.872 -24.073 -12.763 1.00 0.00 H new ATOM 0 HE1 PHE A 43 45.026 -26.295 -14.180 1.00 0.00 H new ATOM 0 HE2 PHE A 43 41.800 -23.629 -14.995 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.883 -24.736 -15.705 1.00 0.00 H new ATOM 652 N PHE A 44 43.230 -22.551 -10.231 1.00 0.00 N ATOM 653 CA PHE A 44 43.137 -21.142 -10.597 1.00 0.00 C ATOM 654 C PHE A 44 44.135 -20.800 -11.700 1.00 0.00 C ATOM 655 O PHE A 44 45.285 -21.240 -11.670 1.00 0.00 O ATOM 656 CB PHE A 44 43.387 -20.257 -9.374 1.00 0.00 C ATOM 657 CG PHE A 44 44.816 -20.266 -8.911 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.266 -21.235 -8.029 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.709 -19.305 -9.358 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.580 -21.244 -7.600 1.00 0.00 C ATOM 661 CE2 PHE A 44 47.024 -19.309 -8.933 1.00 0.00 C ATOM 662 CZ PHE A 44 47.460 -20.281 -8.054 1.00 0.00 C ATOM 0 H PHE A 44 44.179 -22.878 -10.048 1.00 0.00 H new ATOM 0 HA PHE A 44 42.130 -20.955 -10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 44 43.096 -19.233 -9.610 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.746 -20.590 -8.557 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.583 -21.992 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.373 -18.544 -10.047 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.918 -22.003 -6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.709 -18.553 -9.288 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.488 -20.288 -7.722 1.00 0.00 H new ATOM 672 N HIS A 45 43.687 -20.012 -12.672 1.00 0.00 N ATOM 673 CA HIS A 45 44.540 -19.611 -13.785 1.00 0.00 C ATOM 674 C HIS A 45 45.301 -18.331 -13.451 1.00 0.00 C ATOM 675 O HIS A 45 44.855 -17.527 -12.633 1.00 0.00 O ATOM 676 CB HIS A 45 43.703 -19.405 -15.048 1.00 0.00 C ATOM 677 CG HIS A 45 44.042 -20.358 -16.152 1.00 0.00 C ATOM 678 ND1 HIS A 45 45.292 -20.425 -16.732 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.287 -21.288 -16.782 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.290 -21.353 -17.672 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.085 -21.892 -17.722 1.00 0.00 N ATOM 0 H HIS A 45 42.739 -19.639 -12.711 1.00 0.00 H new ATOM 0 HA HIS A 45 45.262 -20.408 -13.963 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.648 -19.513 -14.797 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.843 -18.384 -15.404 1.00 0.00 H new ATOM 0 HD2 HIS A 45 42.250 -21.513 -16.582 1.00 0.00 H new ATOM 0 HE1 HIS A 45 46.130 -21.625 -18.294 1.00 0.00 H new ATOM 0 HE2 HIS A 45 43.794 -22.636 -18.356 1.00 0.00 H new ATOM 689 N TYR A 46 46.453 -18.151 -14.089 1.00 0.00 N ATOM 690 CA TYR A 46 47.278 -16.971 -13.857 1.00 0.00 C ATOM 691 C TYR A 46 46.514 -15.696 -14.202 1.00 0.00 C ATOM 692 O TYR A 46 46.745 -14.642 -13.609 1.00 0.00 O ATOM 693 CB TYR A 46 48.561 -17.050 -14.685 1.00 0.00 C ATOM 694 CG TYR A 46 49.733 -17.636 -13.931 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.580 -18.769 -13.141 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.994 -17.058 -14.009 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.648 -19.308 -12.450 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.068 -17.590 -13.323 1.00 0.00 C ATOM 699 CZ TYR A 46 51.890 -18.715 -12.544 1.00 0.00 C ATOM 700 OH TYR A 46 52.957 -19.249 -11.858 1.00 0.00 O ATOM 0 H TYR A 46 46.836 -18.807 -14.770 1.00 0.00 H new ATOM 0 HA TYR A 46 47.538 -16.942 -12.799 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.373 -17.653 -15.574 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.824 -16.049 -15.028 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.609 -19.236 -13.066 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.137 -16.177 -14.617 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.511 -20.189 -11.840 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.042 -17.128 -13.396 1.00 0.00 H new ATOM 0 HH TYR A 46 53.107 -20.171 -12.154 1.00 0.00 H new ATOM 710 N SER A 47 45.603 -15.801 -15.164 1.00 0.00 N ATOM 711 CA SER A 47 44.807 -14.657 -15.591 1.00 0.00 C ATOM 712 C SER A 47 43.767 -14.294 -14.536 1.00 0.00 C ATOM 713 O SER A 47 43.379 -13.134 -14.405 1.00 0.00 O ATOM 714 CB SER A 47 44.116 -14.958 -16.922 1.00 0.00 C ATOM 715 OG SER A 47 44.656 -14.168 -17.968 1.00 0.00 O ATOM 0 H SER A 47 45.398 -16.667 -15.662 1.00 0.00 H new ATOM 0 HA SER A 47 45.478 -13.808 -15.722 1.00 0.00 H new ATOM 0 HB2 SER A 47 44.231 -16.015 -17.164 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.047 -14.766 -16.832 1.00 0.00 H new ATOM 0 HG SER A 47 44.199 -14.381 -18.808 1.00 0.00 H new ATOM 721 N GLU A 48 43.320 -15.297 -13.786 1.00 0.00 N ATOM 722 CA GLU A 48 42.324 -15.084 -12.742 1.00 0.00 C ATOM 723 C GLU A 48 42.960 -14.464 -11.501 1.00 0.00 C ATOM 724 O GLU A 48 42.294 -13.777 -10.726 1.00 0.00 O ATOM 725 CB GLU A 48 41.647 -16.406 -12.375 1.00 0.00 C ATOM 726 CG GLU A 48 40.565 -16.828 -13.354 1.00 0.00 C ATOM 727 CD GLU A 48 40.346 -18.329 -13.371 1.00 0.00 C ATOM 728 OE1 GLU A 48 41.070 -19.041 -12.644 1.00 0.00 O ATOM 729 OE2 GLU A 48 39.453 -18.791 -14.112 1.00 0.00 O ATOM 0 H GLU A 48 43.631 -16.264 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 48 41.573 -14.394 -13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.403 -17.189 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.210 -16.317 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 48 39.631 -16.331 -13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.835 -16.493 -14.355 1.00 0.00 H new ATOM 736 N PHE A 49 44.253 -14.711 -11.320 1.00 0.00 N ATOM 737 CA PHE A 49 44.980 -14.179 -10.173 1.00 0.00 C ATOM 738 C PHE A 49 45.367 -12.721 -10.403 1.00 0.00 C ATOM 739 O PHE A 49 46.037 -12.392 -11.382 1.00 0.00 O ATOM 740 CB PHE A 49 46.233 -15.015 -9.905 1.00 0.00 C ATOM 741 CG PHE A 49 46.856 -14.748 -8.564 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.531 -13.562 -8.323 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.767 -15.683 -7.546 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.104 -13.313 -7.090 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.338 -15.439 -6.311 1.00 0.00 C ATOM 746 CZ PHE A 49 48.009 -14.253 -6.083 1.00 0.00 C ATOM 0 H PHE A 49 44.819 -15.276 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 49 44.325 -14.230 -9.303 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.976 -16.072 -9.974 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.968 -14.814 -10.685 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.610 -12.824 -9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.246 -16.613 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.626 -12.384 -6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.260 -16.175 -5.525 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.458 -14.062 -5.120 1.00 0.00 H new ATOM 756 N SER A 50 44.938 -11.851 -9.494 1.00 0.00 N ATOM 757 CA SER A 50 45.235 -10.427 -9.599 1.00 0.00 C ATOM 758 C SER A 50 46.290 -10.015 -8.576 1.00 0.00 C ATOM 759 O SER A 50 45.969 -9.688 -7.435 1.00 0.00 O ATOM 760 CB SER A 50 43.962 -9.603 -9.397 1.00 0.00 C ATOM 761 OG SER A 50 44.191 -8.233 -9.680 1.00 0.00 O ATOM 0 H SER A 50 44.384 -12.107 -8.677 1.00 0.00 H new ATOM 0 HA SER A 50 45.628 -10.235 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.172 -9.984 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.613 -9.712 -8.370 1.00 0.00 H new ATOM 0 HG SER A 50 43.362 -7.728 -9.545 1.00 0.00 H new ATOM 767 N GLY A 51 47.551 -10.035 -8.996 1.00 0.00 N ATOM 768 CA GLY A 51 48.635 -9.662 -8.105 1.00 0.00 C ATOM 769 C GLY A 51 49.979 -10.174 -8.581 1.00 0.00 C ATOM 770 O GLY A 51 50.191 -10.361 -9.780 1.00 0.00 O ATOM 0 H GLY A 51 47.842 -10.303 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.673 -8.576 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.433 -10.054 -7.108 1.00 0.00 H new ATOM 774 N ASP A 52 50.891 -10.399 -7.642 1.00 0.00 N ATOM 775 CA ASP A 52 52.223 -10.892 -7.972 1.00 0.00 C ATOM 776 C ASP A 52 52.240 -12.416 -8.030 1.00 0.00 C ATOM 777 O ASP A 52 52.842 -13.074 -7.181 1.00 0.00 O ATOM 778 CB ASP A 52 53.243 -10.397 -6.945 1.00 0.00 C ATOM 779 CG ASP A 52 53.625 -8.946 -7.162 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.770 -8.067 -6.931 1.00 0.00 O ATOM 781 OD2 ASP A 52 54.780 -8.690 -7.563 1.00 0.00 O ATOM 0 H ASP A 52 50.732 -10.248 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 52 52.492 -10.506 -8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.832 -10.515 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.138 -11.017 -6.998 1.00 0.00 H new ATOM 786 N VAL A 53 51.574 -12.973 -9.037 1.00 0.00 N ATOM 787 CA VAL A 53 51.512 -14.420 -9.206 1.00 0.00 C ATOM 788 C VAL A 53 52.875 -14.988 -9.584 1.00 0.00 C ATOM 789 O VAL A 53 53.179 -16.145 -9.292 1.00 0.00 O ATOM 790 CB VAL A 53 50.486 -14.815 -10.285 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.909 -14.281 -11.645 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.313 -16.326 -10.326 1.00 0.00 C ATOM 0 H VAL A 53 51.070 -12.444 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 53 51.201 -14.838 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 53 49.525 -14.369 -10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.172 -14.570 -12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 53 50.978 -13.194 -11.604 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.881 -14.696 -11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.585 -16.588 -11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.269 -16.796 -10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.961 -16.678 -9.356 1.00 0.00 H new ATOM 802 N ASP A 54 53.693 -14.167 -10.233 1.00 0.00 N ATOM 803 CA ASP A 54 55.026 -14.586 -10.650 1.00 0.00 C ATOM 804 C ASP A 54 55.989 -14.589 -9.467 1.00 0.00 C ATOM 805 O ASP A 54 56.955 -15.351 -9.442 1.00 0.00 O ATOM 806 CB ASP A 54 55.552 -13.665 -11.752 1.00 0.00 C ATOM 807 CG ASP A 54 56.857 -14.160 -12.345 1.00 0.00 C ATOM 808 OD1 ASP A 54 56.807 -14.965 -13.299 1.00 0.00 O ATOM 809 OD2 ASP A 54 57.927 -13.742 -11.857 1.00 0.00 O ATOM 0 H ASP A 54 53.456 -13.207 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 54 54.956 -15.601 -11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 54 54.805 -13.584 -12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 54 55.697 -12.664 -11.346 1.00 0.00 H new ATOM 814 N SER A 55 55.720 -13.729 -8.490 1.00 0.00 N ATOM 815 CA SER A 55 56.566 -13.628 -7.306 1.00 0.00 C ATOM 816 C SER A 55 55.980 -14.432 -6.150 1.00 0.00 C ATOM 817 O SER A 55 56.201 -14.112 -4.981 1.00 0.00 O ATOM 818 CB SER A 55 56.730 -12.164 -6.894 1.00 0.00 C ATOM 819 OG SER A 55 57.997 -11.939 -6.302 1.00 0.00 O ATOM 0 H SER A 55 54.923 -13.092 -8.495 1.00 0.00 H new ATOM 0 HA SER A 55 57.545 -14.040 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 55 56.614 -11.522 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.943 -11.891 -6.191 1.00 0.00 H new ATOM 0 HG SER A 55 58.077 -10.996 -6.049 1.00 0.00 H new ATOM 825 N LEU A 56 55.232 -15.478 -6.484 1.00 0.00 N ATOM 826 CA LEU A 56 54.613 -16.330 -5.474 1.00 0.00 C ATOM 827 C LEU A 56 55.541 -17.477 -5.087 1.00 0.00 C ATOM 828 O LEU A 56 56.486 -17.793 -5.808 1.00 0.00 O ATOM 829 CB LEU A 56 53.285 -16.884 -5.991 1.00 0.00 C ATOM 830 CG LEU A 56 52.026 -16.146 -5.534 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.787 -16.765 -6.164 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.920 -16.162 -4.017 1.00 0.00 C ATOM 0 H LEU A 56 55.039 -15.757 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 56 54.426 -15.724 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 56 53.311 -16.877 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 56 53.204 -17.926 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 56 52.096 -15.109 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.901 -16.227 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.860 -16.701 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.711 -17.811 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 51.018 -15.632 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.873 -17.193 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.793 -15.672 -3.586 1.00 0.00 H new ATOM 844 N GLU A 57 55.261 -18.098 -3.945 1.00 0.00 N ATOM 845 CA GLU A 57 56.070 -19.211 -3.464 1.00 0.00 C ATOM 846 C GLU A 57 55.191 -20.299 -2.853 1.00 0.00 C ATOM 847 O GLU A 57 53.978 -20.130 -2.718 1.00 0.00 O ATOM 848 CB GLU A 57 57.087 -18.723 -2.430 1.00 0.00 C ATOM 849 CG GLU A 57 57.961 -17.583 -2.927 1.00 0.00 C ATOM 850 CD GLU A 57 59.049 -17.208 -1.940 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.779 -17.241 -0.721 1.00 0.00 O ATOM 852 OE2 GLU A 57 60.169 -16.882 -2.385 1.00 0.00 O ATOM 0 H GLU A 57 54.481 -17.849 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 57 56.603 -19.633 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.556 -18.399 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.724 -19.558 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.418 -17.867 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.337 -16.711 -3.123 1.00 0.00 H new ATOM 859 N LEU A 58 55.810 -21.415 -2.487 1.00 0.00 N ATOM 860 CA LEU A 58 55.085 -22.532 -1.891 1.00 0.00 C ATOM 861 C LEU A 58 54.928 -22.339 -0.386 1.00 0.00 C ATOM 862 O LEU A 58 55.868 -21.940 0.300 1.00 0.00 O ATOM 863 CB LEU A 58 55.812 -23.848 -2.174 1.00 0.00 C ATOM 864 CG LEU A 58 56.099 -24.153 -3.645 1.00 0.00 C ATOM 865 CD1 LEU A 58 57.083 -25.306 -3.769 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.808 -24.469 -4.385 1.00 0.00 C ATOM 0 H LEU A 58 56.812 -21.571 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 58 54.092 -22.568 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.759 -23.841 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.217 -24.664 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 58 56.548 -23.269 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.275 -25.509 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 58 58.017 -25.042 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.663 -26.195 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.031 -24.684 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.331 -25.337 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.136 -23.613 -4.326 1.00 0.00 H new ATOM 878 N GLY A 59 53.733 -22.626 0.121 1.00 0.00 N ATOM 879 CA GLY A 59 53.475 -22.480 1.542 1.00 0.00 C ATOM 880 C GLY A 59 52.981 -21.092 1.901 1.00 0.00 C ATOM 881 O GLY A 59 52.998 -20.704 3.069 1.00 0.00 O ATOM 0 H GLY A 59 52.939 -22.957 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.734 -23.217 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.388 -22.693 2.098 1.00 0.00 H new ATOM 885 N ASP A 60 52.543 -20.344 0.896 1.00 0.00 N ATOM 886 CA ASP A 60 52.042 -18.991 1.111 1.00 0.00 C ATOM 887 C ASP A 60 50.525 -18.990 1.264 1.00 0.00 C ATOM 888 O ASP A 60 49.850 -19.934 0.853 1.00 0.00 O ATOM 889 CB ASP A 60 52.451 -18.082 -0.049 1.00 0.00 C ATOM 890 CG ASP A 60 53.810 -17.445 0.165 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.828 -18.151 0.009 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.855 -16.240 0.489 1.00 0.00 O ATOM 0 H ASP A 60 52.524 -20.651 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 60 52.482 -18.610 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.466 -18.661 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.702 -17.300 -0.175 1.00 0.00 H new ATOM 897 N MET A 61 49.995 -17.926 1.858 1.00 0.00 N ATOM 898 CA MET A 61 48.556 -17.804 2.064 1.00 0.00 C ATOM 899 C MET A 61 47.925 -16.930 0.986 1.00 0.00 C ATOM 900 O MET A 61 48.529 -15.961 0.525 1.00 0.00 O ATOM 901 CB MET A 61 48.266 -17.217 3.447 1.00 0.00 C ATOM 902 CG MET A 61 47.759 -18.242 4.448 1.00 0.00 C ATOM 903 SD MET A 61 47.906 -17.678 6.155 1.00 0.00 S ATOM 904 CE MET A 61 49.673 -17.818 6.407 1.00 0.00 C ATOM 0 H MET A 61 50.540 -17.136 2.205 1.00 0.00 H new ATOM 0 HA MET A 61 48.119 -18.801 2.001 1.00 0.00 H new ATOM 0 HB2 MET A 61 49.176 -16.760 3.837 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.527 -16.422 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.715 -18.468 4.233 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.318 -19.170 4.327 1.00 0.00 H new ATOM 0 HE1 MET A 61 49.888 -17.837 7.475 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.034 -18.738 5.948 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.174 -16.964 5.951 1.00 0.00 H new ATOM 914 N VAL A 62 46.706 -17.279 0.586 1.00 0.00 N ATOM 915 CA VAL A 62 45.992 -16.526 -0.439 1.00 0.00 C ATOM 916 C VAL A 62 44.487 -16.569 -0.204 1.00 0.00 C ATOM 917 O VAL A 62 43.999 -17.345 0.617 1.00 0.00 O ATOM 918 CB VAL A 62 46.297 -17.068 -1.848 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.708 -16.691 -2.272 1.00 0.00 C ATOM 920 CG2 VAL A 62 46.103 -18.576 -1.892 1.00 0.00 C ATOM 0 H VAL A 62 46.192 -18.079 0.956 1.00 0.00 H new ATOM 0 HA VAL A 62 46.337 -15.494 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 62 45.599 -16.614 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.905 -17.083 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.807 -15.606 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.425 -17.114 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.323 -18.942 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.775 -19.050 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 62 45.072 -18.818 -1.635 1.00 0.00 H new ATOM 930 N GLU A 63 43.756 -15.729 -0.930 1.00 0.00 N ATOM 931 CA GLU A 63 42.305 -15.671 -0.800 1.00 0.00 C ATOM 932 C GLU A 63 41.624 -16.117 -2.091 1.00 0.00 C ATOM 933 O GLU A 63 42.074 -15.787 -3.188 1.00 0.00 O ATOM 934 CB GLU A 63 41.858 -14.253 -0.439 1.00 0.00 C ATOM 935 CG GLU A 63 40.938 -14.193 0.769 1.00 0.00 C ATOM 936 CD GLU A 63 39.757 -13.265 0.557 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.941 -12.207 -0.080 1.00 0.00 O ATOM 938 OE2 GLU A 63 38.650 -13.598 1.028 1.00 0.00 O ATOM 0 H GLU A 63 44.145 -15.080 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 63 42.011 -16.351 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.739 -13.642 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.348 -13.813 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.572 -15.195 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.506 -13.860 1.638 1.00 0.00 H new ATOM 945 N TYR A 64 40.538 -16.869 -1.951 1.00 0.00 N ATOM 946 CA TYR A 64 39.797 -17.363 -3.105 1.00 0.00 C ATOM 947 C TYR A 64 38.357 -17.696 -2.726 1.00 0.00 C ATOM 948 O TYR A 64 37.968 -17.586 -1.564 1.00 0.00 O ATOM 949 CB TYR A 64 40.482 -18.601 -3.686 1.00 0.00 C ATOM 950 CG TYR A 64 40.427 -19.807 -2.776 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.382 -20.000 -1.787 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.417 -20.753 -2.906 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.336 -21.101 -0.954 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.362 -21.857 -2.076 1.00 0.00 C ATOM 955 CZ TYR A 64 40.323 -22.026 -1.102 1.00 0.00 C ATOM 956 OH TYR A 64 40.272 -23.124 -0.273 1.00 0.00 O ATOM 0 H TYR A 64 40.151 -17.150 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 64 39.783 -16.576 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 64 40.013 -18.853 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.525 -18.363 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.175 -19.277 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.663 -20.623 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 64 42.089 -21.237 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.571 -22.583 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 64 39.497 -23.676 -0.508 1.00 0.00 H new ATOM 966 N SER A 65 37.570 -18.104 -3.717 1.00 0.00 N ATOM 967 CA SER A 65 36.172 -18.451 -3.490 1.00 0.00 C ATOM 968 C SER A 65 35.717 -19.536 -4.461 1.00 0.00 C ATOM 969 O SER A 65 36.339 -19.756 -5.501 1.00 0.00 O ATOM 970 CB SER A 65 35.287 -17.212 -3.641 1.00 0.00 C ATOM 971 OG SER A 65 35.792 -16.129 -2.879 1.00 0.00 O ATOM 0 H SER A 65 37.877 -18.202 -4.685 1.00 0.00 H new ATOM 0 HA SER A 65 36.078 -18.835 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.231 -16.927 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.272 -17.445 -3.320 1.00 0.00 H new ATOM 0 HG SER A 65 35.210 -15.349 -2.993 1.00 0.00 H new ATOM 977 N LEU A 66 34.628 -20.212 -4.113 1.00 0.00 N ATOM 978 CA LEU A 66 34.087 -21.276 -4.953 1.00 0.00 C ATOM 979 C LEU A 66 32.795 -20.832 -5.630 1.00 0.00 C ATOM 980 O LEU A 66 31.828 -20.463 -4.963 1.00 0.00 O ATOM 981 CB LEU A 66 33.834 -22.532 -4.118 1.00 0.00 C ATOM 982 CG LEU A 66 35.053 -23.128 -3.413 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.664 -24.376 -2.637 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.150 -23.443 -4.420 1.00 0.00 C ATOM 0 H LEU A 66 34.102 -20.043 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 66 34.820 -21.503 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.083 -22.297 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.406 -23.295 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 66 35.436 -22.392 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.544 -24.786 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.913 -24.120 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.255 -25.118 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.010 -23.866 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.778 -24.161 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.449 -22.528 -4.931 1.00 0.00 H new ATOM 1117 N SER A 75 36.579 -24.674 -8.790 1.00 0.00 N ATOM 1118 CA SER A 75 37.831 -23.944 -8.951 1.00 0.00 C ATOM 1119 C SER A 75 37.754 -22.578 -8.277 1.00 0.00 C ATOM 1120 O SER A 75 36.687 -22.150 -7.837 1.00 0.00 O ATOM 1121 CB SER A 75 38.160 -23.775 -10.436 1.00 0.00 C ATOM 1122 OG SER A 75 36.988 -23.846 -11.229 1.00 0.00 O ATOM 0 HA SER A 75 38.623 -24.521 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.653 -22.816 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.861 -24.550 -10.747 1.00 0.00 H new ATOM 0 HG SER A 75 36.266 -24.258 -10.710 1.00 0.00 H new ATOM 1128 N ALA A 76 38.893 -21.898 -8.198 1.00 0.00 N ATOM 1129 CA ALA A 76 38.955 -20.580 -7.580 1.00 0.00 C ATOM 1130 C ALA A 76 38.720 -19.479 -8.608 1.00 0.00 C ATOM 1131 O ALA A 76 39.074 -19.625 -9.778 1.00 0.00 O ATOM 1132 CB ALA A 76 40.297 -20.383 -6.891 1.00 0.00 C ATOM 0 H ALA A 76 39.786 -22.239 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 76 38.163 -20.519 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.329 -19.394 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.426 -21.143 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 76 41.099 -20.470 -7.624 1.00 0.00 H new ATOM 1138 N GLU A 77 38.120 -18.379 -8.164 1.00 0.00 N ATOM 1139 CA GLU A 77 37.836 -17.254 -9.048 1.00 0.00 C ATOM 1140 C GLU A 77 38.336 -15.946 -8.442 1.00 0.00 C ATOM 1141 O GLU A 77 38.083 -15.653 -7.273 1.00 0.00 O ATOM 1142 CB GLU A 77 36.334 -17.160 -9.325 1.00 0.00 C ATOM 1143 CG GLU A 77 35.486 -17.102 -8.066 1.00 0.00 C ATOM 1144 CD GLU A 77 34.006 -16.967 -8.365 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.615 -17.187 -9.531 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.239 -16.643 -7.435 1.00 0.00 O ATOM 0 H GLU A 77 37.821 -18.243 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 77 38.361 -17.423 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.139 -16.272 -9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.028 -18.021 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.653 -18.004 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.808 -16.259 -7.454 1.00 0.00 H new ATOM 1153 N LYS A 78 39.048 -15.163 -9.245 1.00 0.00 N ATOM 1154 CA LYS A 78 39.583 -13.885 -8.790 1.00 0.00 C ATOM 1155 C LYS A 78 40.438 -14.068 -7.540 1.00 0.00 C ATOM 1156 O LYS A 78 40.078 -13.607 -6.457 1.00 0.00 O ATOM 1157 CB LYS A 78 38.444 -12.904 -8.503 1.00 0.00 C ATOM 1158 CG LYS A 78 37.750 -12.395 -9.754 1.00 0.00 C ATOM 1159 CD LYS A 78 38.422 -11.143 -10.294 1.00 0.00 C ATOM 1160 CE LYS A 78 37.498 -10.371 -11.223 1.00 0.00 C ATOM 1161 NZ LYS A 78 38.136 -9.124 -11.730 1.00 0.00 N ATOM 0 H LYS A 78 39.268 -15.391 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 78 40.211 -13.480 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.709 -13.391 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.839 -12.055 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.759 -13.172 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.705 -12.180 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 78 38.723 -10.503 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 78 39.331 -11.419 -10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 78 37.218 -11.004 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.579 -10.119 -10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 37.474 -8.627 -12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 38.380 -8.508 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 39.000 -9.365 -12.257 1.00 0.00 H new ATOM 1175 N VAL A 79 41.574 -14.741 -7.698 1.00 0.00 N ATOM 1176 CA VAL A 79 42.481 -14.982 -6.583 1.00 0.00 C ATOM 1177 C VAL A 79 43.392 -13.782 -6.347 1.00 0.00 C ATOM 1178 O VAL A 79 43.828 -13.125 -7.291 1.00 0.00 O ATOM 1179 CB VAL A 79 43.349 -16.231 -6.826 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.189 -16.545 -5.597 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.478 -17.419 -7.203 1.00 0.00 C ATOM 0 H VAL A 79 41.887 -15.129 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 79 41.862 -15.144 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 79 44.025 -16.026 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.796 -17.430 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.840 -15.700 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.534 -16.730 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 79 43.107 -18.293 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.777 -17.627 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.925 -17.190 -8.114 1.00 0.00 H new ATOM 1191 N ASN A 80 43.675 -13.502 -5.079 1.00 0.00 N ATOM 1192 CA ASN A 80 44.535 -12.380 -4.718 1.00 0.00 C ATOM 1193 C ASN A 80 45.429 -12.739 -3.535 1.00 0.00 C ATOM 1194 O ASN A 80 45.062 -13.555 -2.689 1.00 0.00 O ATOM 1195 CB ASN A 80 43.689 -11.152 -4.378 1.00 0.00 C ATOM 1196 CG ASN A 80 42.977 -11.290 -3.046 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.981 -12.004 -2.933 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.487 -10.606 -2.028 1.00 0.00 N ATOM 0 H ASN A 80 43.322 -14.036 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 80 45.170 -12.150 -5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.328 -10.269 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 80 42.953 -10.992 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 80 43.051 -10.661 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.315 -10.026 -2.167 1.00 0.00 H new ATOM 1205 N LYS A 81 46.605 -12.124 -3.482 1.00 0.00 N ATOM 1206 CA LYS A 81 47.553 -12.375 -2.402 1.00 0.00 C ATOM 1207 C LYS A 81 47.046 -11.793 -1.087 1.00 0.00 C ATOM 1208 O LYS A 81 46.280 -10.829 -1.076 1.00 0.00 O ATOM 1209 CB LYS A 81 48.919 -11.776 -2.745 1.00 0.00 C ATOM 1210 CG LYS A 81 50.013 -12.816 -2.920 1.00 0.00 C ATOM 1211 CD LYS A 81 51.394 -12.186 -2.864 1.00 0.00 C ATOM 1212 CE LYS A 81 51.826 -11.916 -1.431 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.550 -13.076 -0.842 1.00 0.00 N ATOM 0 H LYS A 81 46.925 -11.447 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 81 47.656 -13.454 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.831 -11.195 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.211 -11.083 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.925 -13.573 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.883 -13.325 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 81 52.116 -12.846 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.392 -11.252 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.468 -11.036 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 81 50.950 -11.689 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 52.827 -12.852 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 51.929 -13.910 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.400 -13.277 -1.406 1.00 0.00 H new ATOM 1227 N THR A 82 47.480 -12.383 0.023 1.00 0.00 N ATOM 1228 CA THR A 82 47.071 -11.923 1.344 1.00 0.00 C ATOM 1229 C THR A 82 48.093 -12.318 2.404 1.00 0.00 C ATOM 1230 O THR A 82 48.728 -13.368 2.307 1.00 0.00 O ATOM 1231 CB THR A 82 45.695 -12.492 1.735 1.00 0.00 C ATOM 1232 OG1 THR A 82 45.336 -12.048 3.049 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.707 -14.013 1.695 1.00 0.00 C ATOM 0 H THR A 82 48.115 -13.181 0.033 1.00 0.00 H new ATOM 0 HA THR A 82 47.005 -10.836 1.295 1.00 0.00 H new ATOM 0 HB THR A 82 44.960 -12.131 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.459 -12.413 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.724 -14.392 1.975 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.952 -14.349 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.454 -14.389 2.394 1.00 0.00 H new