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 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0348 K(o=-0.035,f=-1.7!) USER MOD Single : A 38 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.99) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.014) USER MOD Single : A 46 TYR OH : rot 55:sc= 0.558 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 -170:sc= -0.0389 USER MOD Single : A 61 MET CE :methyl -170:sc= 0 (180deg=-0.0419) USER MOD Single : A 64 TYR OH : rot 51:sc= 0.242 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 7:sc= 0.775 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.061) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -57:sc= 0.91 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.041 -16.385 1.311 1.00 0.00 N ATOM 232 CA ARG A 18 35.480 -16.173 1.399 1.00 0.00 C ATOM 233 C ARG A 18 36.164 -17.358 2.075 1.00 0.00 C ATOM 234 O ARG A 18 35.714 -17.836 3.117 1.00 0.00 O ATOM 235 CB ARG A 18 35.782 -14.888 2.171 1.00 0.00 C ATOM 236 CG ARG A 18 35.183 -14.862 3.568 1.00 0.00 C ATOM 237 CD ARG A 18 36.202 -15.276 4.619 1.00 0.00 C ATOM 238 NE ARG A 18 36.124 -14.442 5.815 1.00 0.00 N ATOM 239 CZ ARG A 18 37.094 -14.362 6.720 1.00 0.00 C ATOM 240 NH1 ARG A 18 38.209 -15.062 6.564 1.00 0.00 N ATOM 241 NH2 ARG A 18 36.948 -13.581 7.782 1.00 0.00 N ATOM 0 HA ARG A 18 35.870 -16.080 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 18 36.862 -14.764 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 18 35.402 -14.037 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 18 34.817 -13.859 3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 18 34.324 -15.531 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 18 36.038 -16.318 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 18 37.205 -15.212 4.197 1.00 0.00 H new ATOM 0 HE ARG A 18 35.279 -13.891 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 18 38.324 -15.663 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 18 38.952 -14.999 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 18 36.091 -13.042 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 18 37.693 -13.520 8.476 1.00 0.00 H new ATOM 255 N LEU A 19 37.251 -17.829 1.474 1.00 0.00 N ATOM 256 CA LEU A 19 37.997 -18.959 2.018 1.00 0.00 C ATOM 257 C LEU A 19 39.493 -18.794 1.769 1.00 0.00 C ATOM 258 O LEU A 19 39.906 -18.212 0.765 1.00 0.00 O ATOM 259 CB LEU A 19 37.506 -20.266 1.394 1.00 0.00 C ATOM 260 CG LEU A 19 36.065 -20.663 1.714 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.533 -21.631 0.669 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.976 -21.274 3.105 1.00 0.00 C ATOM 0 H LEU A 19 37.636 -17.446 0.610 1.00 0.00 H new ATOM 0 HA LEU A 19 37.828 -18.991 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.609 -20.189 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.164 -21.071 1.721 1.00 0.00 H new ATOM 0 HG LEU A 19 35.448 -19.765 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.506 -21.902 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.559 -21.157 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.152 -22.528 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.943 -21.551 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.606 -22.162 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.315 -20.548 3.844 1.00 0.00 H new ATOM 274 N LEU A 20 40.301 -19.310 2.689 1.00 0.00 N ATOM 275 CA LEU A 20 41.752 -19.222 2.569 1.00 0.00 C ATOM 276 C LEU A 20 42.361 -20.596 2.308 1.00 0.00 C ATOM 277 O LEU A 20 41.665 -21.611 2.337 1.00 0.00 O ATOM 278 CB LEU A 20 42.353 -18.618 3.839 1.00 0.00 C ATOM 279 CG LEU A 20 42.234 -17.101 3.982 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.619 -16.665 5.387 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.101 -16.398 2.947 1.00 0.00 C ATOM 0 H LEU A 20 39.976 -19.794 3.526 1.00 0.00 H new ATOM 0 HA LEU A 20 41.983 -18.576 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.873 -19.083 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.409 -18.885 3.880 1.00 0.00 H new ATOM 0 HG LEU A 20 41.195 -16.820 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.528 -15.582 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 20 41.957 -17.141 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.649 -16.959 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.004 -15.319 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.143 -16.686 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.778 -16.685 1.946 1.00 0.00 H new ATOM 293 N GLY A 21 43.666 -20.621 2.055 1.00 0.00 N ATOM 294 CA GLY A 21 44.347 -21.876 1.795 1.00 0.00 C ATOM 295 C GLY A 21 45.852 -21.713 1.713 1.00 0.00 C ATOM 296 O GLY A 21 46.410 -20.759 2.255 1.00 0.00 O ATOM 0 H GLY A 21 44.264 -19.795 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.104 -22.588 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.979 -22.299 0.860 1.00 0.00 H new ATOM 300 N TYR A 22 46.511 -22.647 1.037 1.00 0.00 N ATOM 301 CA TYR A 22 47.961 -22.605 0.890 1.00 0.00 C ATOM 302 C TYR A 22 48.385 -23.125 -0.480 1.00 0.00 C ATOM 303 O TYR A 22 47.989 -24.215 -0.893 1.00 0.00 O ATOM 304 CB TYR A 22 48.630 -23.429 1.991 1.00 0.00 C ATOM 305 CG TYR A 22 48.109 -23.125 3.377 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.619 -22.065 4.116 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.104 -23.897 3.947 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.146 -21.784 5.383 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.624 -23.623 5.213 1.00 0.00 C ATOM 310 CZ TYR A 22 47.148 -22.566 5.927 1.00 0.00 C ATOM 311 OH TYR A 22 46.673 -22.288 7.189 1.00 0.00 O ATOM 0 H TYR A 22 46.064 -23.443 0.582 1.00 0.00 H new ATOM 0 HA TYR A 22 48.280 -21.566 0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.482 -24.488 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.704 -23.246 1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.399 -21.450 3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.691 -24.725 3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.555 -20.957 5.944 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.843 -24.233 5.641 1.00 0.00 H new ATOM 0 HH TYR A 22 45.972 -22.931 7.424 1.00 0.00 H new ATOM 321 N VAL A 23 49.195 -22.337 -1.181 1.00 0.00 N ATOM 322 CA VAL A 23 49.675 -22.717 -2.504 1.00 0.00 C ATOM 323 C VAL A 23 50.382 -24.068 -2.464 1.00 0.00 C ATOM 324 O VAL A 23 51.515 -24.174 -1.995 1.00 0.00 O ATOM 325 CB VAL A 23 50.640 -21.662 -3.075 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.035 -22.015 -4.501 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.012 -20.278 -3.014 1.00 0.00 C ATOM 0 H VAL A 23 49.532 -21.432 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 23 48.800 -22.786 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 23 51.543 -21.653 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 23 51.717 -21.258 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.528 -22.987 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.143 -22.053 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 23 50.708 -19.544 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.092 -20.270 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.785 -20.027 -1.978 1.00 0.00 H new ATOM 337 N ALA A 24 49.705 -25.098 -2.961 1.00 0.00 N ATOM 338 CA ALA A 24 50.269 -26.442 -2.985 1.00 0.00 C ATOM 339 C ALA A 24 51.365 -26.559 -4.039 1.00 0.00 C ATOM 340 O ALA A 24 52.486 -26.974 -3.741 1.00 0.00 O ATOM 341 CB ALA A 24 49.176 -27.468 -3.242 1.00 0.00 C ATOM 0 H ALA A 24 48.766 -25.027 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 24 50.716 -26.639 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.611 -28.467 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.429 -27.410 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.703 -27.263 -4.203 1.00 0.00 H new ATOM 347 N THR A 25 51.035 -26.190 -5.273 1.00 0.00 N ATOM 348 CA THR A 25 51.991 -26.256 -6.371 1.00 0.00 C ATOM 349 C THR A 25 51.796 -25.094 -7.339 1.00 0.00 C ATOM 350 O THR A 25 50.667 -24.716 -7.652 1.00 0.00 O ATOM 351 CB THR A 25 51.866 -27.581 -7.146 1.00 0.00 C ATOM 352 OG1 THR A 25 52.005 -28.688 -6.250 1.00 0.00 O ATOM 353 CG2 THR A 25 52.921 -27.670 -8.239 1.00 0.00 C ATOM 0 H THR A 25 50.113 -25.842 -5.537 1.00 0.00 H new ATOM 0 HA THR A 25 52.985 -26.195 -5.929 1.00 0.00 H new ATOM 0 HB THR A 25 50.881 -27.613 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.923 -29.526 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.813 -28.614 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.793 -26.842 -8.936 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.914 -27.617 -7.792 1.00 0.00 H new ATOM 361 N LEU A 26 52.903 -24.531 -7.809 1.00 0.00 N ATOM 362 CA LEU A 26 52.855 -23.411 -8.743 1.00 0.00 C ATOM 363 C LEU A 26 53.562 -23.760 -10.049 1.00 0.00 C ATOM 364 O LEU A 26 54.790 -23.741 -10.127 1.00 0.00 O ATOM 365 CB LEU A 26 53.497 -22.171 -8.118 1.00 0.00 C ATOM 366 CG LEU A 26 52.533 -21.086 -7.637 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.265 -20.062 -6.784 1.00 0.00 C ATOM 368 CD2 LEU A 26 51.856 -20.411 -8.821 1.00 0.00 C ATOM 0 H LEU A 26 53.845 -24.831 -7.559 1.00 0.00 H new ATOM 0 HA LEU A 26 51.809 -23.199 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.106 -22.489 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.174 -21.729 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 26 51.764 -21.556 -7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.563 -19.298 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.702 -20.557 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.056 -19.597 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.173 -19.642 -8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.612 -19.955 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.297 -21.153 -9.392 1.00 0.00 H new ATOM 380 N LYS A 27 52.778 -24.076 -11.074 1.00 0.00 N ATOM 381 CA LYS A 27 53.327 -24.426 -12.379 1.00 0.00 C ATOM 382 C LYS A 27 53.587 -23.175 -13.213 1.00 0.00 C ATOM 383 O LYS A 27 53.434 -22.053 -12.730 1.00 0.00 O ATOM 384 CB LYS A 27 52.370 -25.359 -13.124 1.00 0.00 C ATOM 385 CG LYS A 27 52.112 -26.669 -12.401 1.00 0.00 C ATOM 386 CD LYS A 27 53.127 -27.731 -12.789 1.00 0.00 C ATOM 387 CE LYS A 27 54.259 -27.816 -11.776 1.00 0.00 C ATOM 388 NZ LYS A 27 54.593 -29.227 -11.435 1.00 0.00 N ATOM 0 H LYS A 27 51.759 -24.097 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 27 54.275 -24.939 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.421 -24.845 -13.277 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.780 -25.573 -14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 27 52.150 -26.505 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.108 -27.022 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 27 52.632 -28.699 -12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.535 -27.504 -13.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 55.143 -27.320 -12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 27 53.976 -27.280 -10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 55.369 -29.242 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 53.757 -29.693 -11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.887 -29.732 -12.295 1.00 0.00 H new ATOM 402 N ASP A 28 53.979 -23.377 -14.466 1.00 0.00 N ATOM 403 CA ASP A 28 54.257 -22.265 -15.368 1.00 0.00 C ATOM 404 C ASP A 28 53.033 -21.933 -16.215 1.00 0.00 C ATOM 405 O ASP A 28 53.152 -21.613 -17.397 1.00 0.00 O ATOM 406 CB ASP A 28 55.444 -22.600 -16.273 1.00 0.00 C ATOM 407 CG ASP A 28 56.169 -21.361 -16.759 1.00 0.00 C ATOM 408 OD1 ASP A 28 55.513 -20.309 -16.910 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.394 -21.442 -16.986 1.00 0.00 O ATOM 0 H ASP A 28 54.111 -24.300 -14.880 1.00 0.00 H new ATOM 0 HA ASP A 28 54.505 -21.392 -14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.143 -23.237 -15.730 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.092 -23.172 -17.132 1.00 0.00 H new ATOM 414 N ASN A 29 51.856 -22.011 -15.601 1.00 0.00 N ATOM 415 CA ASN A 29 50.610 -21.720 -16.300 1.00 0.00 C ATOM 416 C ASN A 29 49.455 -21.575 -15.313 1.00 0.00 C ATOM 417 O ASN A 29 48.635 -20.664 -15.430 1.00 0.00 O ATOM 418 CB ASN A 29 50.297 -22.826 -17.310 1.00 0.00 C ATOM 419 CG ASN A 29 49.591 -22.298 -18.544 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.146 -21.495 -19.295 1.00 0.00 O ATOM 421 ND2 ASN A 29 48.360 -22.749 -18.760 1.00 0.00 N ATOM 0 H ASN A 29 51.740 -22.273 -14.622 1.00 0.00 H new ATOM 0 HA ASN A 29 50.732 -20.776 -16.832 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.224 -23.316 -17.607 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.674 -23.583 -16.834 1.00 0.00 H new ATOM 0 HD21 ASN A 29 47.836 -22.430 -19.575 1.00 0.00 H new ATOM 0 HD22 ASN A 29 47.939 -23.414 -18.111 1.00 0.00 H new ATOM 428 N PHE A 30 49.397 -22.479 -14.341 1.00 0.00 N ATOM 429 CA PHE A 30 48.343 -22.453 -13.334 1.00 0.00 C ATOM 430 C PHE A 30 48.838 -23.033 -12.013 1.00 0.00 C ATOM 431 O PHE A 30 49.684 -23.926 -11.992 1.00 0.00 O ATOM 432 CB PHE A 30 47.122 -23.236 -13.822 1.00 0.00 C ATOM 433 CG PHE A 30 47.455 -24.611 -14.327 1.00 0.00 C ATOM 434 CD1 PHE A 30 47.819 -25.618 -13.448 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.405 -24.896 -15.682 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.125 -26.884 -13.909 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.710 -26.161 -16.150 1.00 0.00 C ATOM 438 CZ PHE A 30 48.072 -27.155 -15.262 1.00 0.00 C ATOM 0 H PHE A 30 50.068 -23.239 -14.229 1.00 0.00 H new ATOM 0 HA PHE A 30 48.058 -21.414 -13.170 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.405 -23.321 -13.006 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.634 -22.674 -14.618 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.864 -25.411 -12.389 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.125 -24.121 -16.381 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.405 -27.660 -13.212 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.665 -26.371 -17.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.313 -28.143 -15.625 1.00 0.00 H new ATOM 448 N GLY A 31 48.305 -22.517 -10.909 1.00 0.00 N ATOM 449 CA GLY A 31 48.705 -22.994 -9.599 1.00 0.00 C ATOM 450 C GLY A 31 47.594 -23.743 -8.891 1.00 0.00 C ATOM 451 O GLY A 31 46.448 -23.740 -9.341 1.00 0.00 O ATOM 0 H GLY A 31 47.603 -21.777 -10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.571 -23.648 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 31 49.016 -22.147 -8.987 1.00 0.00 H new ATOM 455 N PHE A 32 47.932 -24.390 -7.780 1.00 0.00 N ATOM 456 CA PHE A 32 46.955 -25.150 -7.010 1.00 0.00 C ATOM 457 C PHE A 32 46.947 -24.704 -5.550 1.00 0.00 C ATOM 458 O PHE A 32 47.955 -24.224 -5.032 1.00 0.00 O ATOM 459 CB PHE A 32 47.259 -26.647 -7.095 1.00 0.00 C ATOM 460 CG PHE A 32 47.165 -27.199 -8.489 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.956 -27.661 -8.985 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.284 -27.254 -9.303 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.867 -28.170 -10.267 1.00 0.00 C ATOM 464 CE2 PHE A 32 48.201 -27.762 -10.586 1.00 0.00 C ATOM 465 CZ PHE A 32 46.991 -28.220 -11.069 1.00 0.00 C ATOM 0 H PHE A 32 48.876 -24.403 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 32 45.969 -24.962 -7.435 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.261 -26.829 -6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.565 -27.188 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.074 -27.623 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.233 -26.896 -8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.920 -28.528 -10.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 49.082 -27.801 -11.210 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.923 -28.616 -12.071 1.00 0.00 H new ATOM 475 N ILE A 33 45.802 -24.865 -4.895 1.00 0.00 N ATOM 476 CA ILE A 33 45.663 -24.480 -3.496 1.00 0.00 C ATOM 477 C ILE A 33 44.999 -25.587 -2.685 1.00 0.00 C ATOM 478 O ILE A 33 43.853 -25.957 -2.942 1.00 0.00 O ATOM 479 CB ILE A 33 44.840 -23.186 -3.348 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.480 -22.054 -4.154 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.723 -22.799 -1.881 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.578 -20.853 -4.330 1.00 0.00 C ATOM 0 H ILE A 33 44.958 -25.259 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 33 46.669 -24.307 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 33 43.838 -23.363 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.398 -21.739 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.763 -22.433 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 33 44.139 -21.883 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.228 -23.600 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.718 -22.637 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 33 45.097 -20.090 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.671 -21.153 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 33 44.316 -20.449 -3.352 1.00 0.00 H new ATOM 494 N GLU A 34 45.725 -26.111 -1.703 1.00 0.00 N ATOM 495 CA GLU A 34 45.205 -27.176 -0.853 1.00 0.00 C ATOM 496 C GLU A 34 44.508 -26.599 0.376 1.00 0.00 C ATOM 497 O GLU A 34 45.117 -25.881 1.171 1.00 0.00 O ATOM 498 CB GLU A 34 46.336 -28.111 -0.419 1.00 0.00 C ATOM 499 CG GLU A 34 46.324 -29.452 -1.133 1.00 0.00 C ATOM 500 CD GLU A 34 47.687 -29.838 -1.673 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.678 -29.719 -0.921 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.764 -30.258 -2.846 1.00 0.00 O ATOM 0 H GLU A 34 46.675 -25.816 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 34 44.476 -27.744 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.292 -27.620 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.264 -28.280 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.979 -30.223 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.609 -29.415 -1.955 1.00 0.00 H new ATOM 509 N THR A 35 43.226 -26.918 0.527 1.00 0.00 N ATOM 510 CA THR A 35 42.445 -26.431 1.657 1.00 0.00 C ATOM 511 C THR A 35 43.041 -26.898 2.979 1.00 0.00 C ATOM 512 O THR A 35 43.915 -27.765 3.006 1.00 0.00 O ATOM 513 CB THR A 35 40.981 -26.902 1.572 1.00 0.00 C ATOM 514 OG1 THR A 35 40.919 -28.329 1.673 1.00 0.00 O ATOM 515 CG2 THR A 35 40.343 -26.453 0.266 1.00 0.00 C ATOM 0 H THR A 35 42.707 -27.512 -0.120 1.00 0.00 H new ATOM 0 HA THR A 35 42.472 -25.342 1.614 1.00 0.00 H new ATOM 0 HB THR A 35 40.430 -26.455 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 35 39.985 -28.620 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.309 -26.797 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.365 -25.365 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.896 -26.875 -0.573 1.00 0.00 H new ATOM 523 N ALA A 36 42.563 -26.320 4.076 1.00 0.00 N ATOM 524 CA ALA A 36 43.048 -26.679 5.403 1.00 0.00 C ATOM 525 C ALA A 36 42.782 -28.150 5.704 1.00 0.00 C ATOM 526 O ALA A 36 43.543 -28.793 6.427 1.00 0.00 O ATOM 527 CB ALA A 36 42.398 -25.797 6.459 1.00 0.00 C ATOM 0 H ALA A 36 41.840 -25.601 4.072 1.00 0.00 H new ATOM 0 HA ALA A 36 44.126 -26.519 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.769 -26.076 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.642 -24.753 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.316 -25.929 6.428 1.00 0.00 H new ATOM 533 N ASN A 37 41.697 -28.678 5.145 1.00 0.00 N ATOM 534 CA ASN A 37 41.331 -30.074 5.356 1.00 0.00 C ATOM 535 C ASN A 37 42.178 -30.996 4.484 1.00 0.00 C ATOM 536 O ASN A 37 42.359 -32.172 4.799 1.00 0.00 O ATOM 537 CB ASN A 37 39.847 -30.285 5.049 1.00 0.00 C ATOM 538 CG ASN A 37 38.949 -29.768 6.156 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.393 -29.560 7.285 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.677 -29.559 5.837 1.00 0.00 N ATOM 0 H ASN A 37 41.057 -28.160 4.543 1.00 0.00 H new ATOM 0 HA ASN A 37 41.518 -30.319 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.596 -29.780 4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.658 -31.348 4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.025 -29.212 6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.352 -29.745 4.888 1.00 0.00 H new ATOM 547 N HIS A 38 42.696 -30.453 3.387 1.00 0.00 N ATOM 548 CA HIS A 38 43.526 -31.226 2.469 1.00 0.00 C ATOM 549 C HIS A 38 42.734 -32.381 1.863 1.00 0.00 C ATOM 550 O HIS A 38 43.283 -33.450 1.597 1.00 0.00 O ATOM 551 CB HIS A 38 44.760 -31.763 3.194 1.00 0.00 C ATOM 552 CG HIS A 38 46.033 -31.574 2.429 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.556 -32.533 1.588 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.889 -30.526 2.380 1.00 0.00 C ATOM 555 CE1 HIS A 38 47.679 -32.085 1.057 1.00 0.00 C ATOM 556 NE2 HIS A 38 47.904 -30.869 1.521 1.00 0.00 N ATOM 0 H HIS A 38 42.556 -29.481 3.112 1.00 0.00 H new ATOM 0 HA HIS A 38 43.846 -30.566 1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.849 -31.266 4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 38 44.620 -32.825 3.394 1.00 0.00 H new ATOM 0 HD2 HIS A 38 46.792 -29.594 2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 38 48.307 -32.622 0.361 1.00 0.00 H new ATOM 0 HE2 HIS A 38 48.702 -30.281 1.280 1.00 0.00 H new ATOM 564 N ASP A 39 41.442 -32.158 1.649 1.00 0.00 N ATOM 565 CA ASP A 39 40.575 -33.180 1.074 1.00 0.00 C ATOM 566 C ASP A 39 40.281 -32.881 -0.392 1.00 0.00 C ATOM 567 O ASP A 39 40.155 -33.793 -1.210 1.00 0.00 O ATOM 568 CB ASP A 39 39.267 -33.271 1.862 1.00 0.00 C ATOM 569 CG ASP A 39 39.157 -34.557 2.656 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.325 -35.640 2.058 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.902 -34.481 3.877 1.00 0.00 O ATOM 0 H ASP A 39 40.972 -31.279 1.865 1.00 0.00 H new ATOM 0 HA ASP A 39 41.093 -34.137 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.196 -32.421 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.426 -33.200 1.173 1.00 0.00 H new ATOM 576 N LYS A 40 40.172 -31.598 -0.719 1.00 0.00 N ATOM 577 CA LYS A 40 39.893 -31.177 -2.087 1.00 0.00 C ATOM 578 C LYS A 40 40.949 -30.193 -2.579 1.00 0.00 C ATOM 579 O LYS A 40 41.518 -29.436 -1.794 1.00 0.00 O ATOM 580 CB LYS A 40 38.505 -30.538 -2.173 1.00 0.00 C ATOM 581 CG LYS A 40 37.796 -30.799 -3.490 1.00 0.00 C ATOM 582 CD LYS A 40 36.640 -29.835 -3.702 1.00 0.00 C ATOM 583 CE LYS A 40 35.323 -30.433 -3.231 1.00 0.00 C ATOM 584 NZ LYS A 40 34.480 -29.429 -2.524 1.00 0.00 N ATOM 0 H LYS A 40 40.273 -30.831 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 40 39.919 -32.060 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 40 37.889 -30.916 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.600 -29.462 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.506 -30.703 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.424 -31.824 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.834 -28.908 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.567 -29.579 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 40 34.776 -30.828 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.523 -31.273 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.591 -29.875 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.991 -29.071 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.268 -28.639 -3.167 1.00 0.00 H new ATOM 598 N GLU A 41 41.204 -30.208 -3.884 1.00 0.00 N ATOM 599 CA GLU A 41 42.191 -29.316 -4.480 1.00 0.00 C ATOM 600 C GLU A 41 41.510 -28.187 -5.249 1.00 0.00 C ATOM 601 O GLU A 41 40.357 -28.312 -5.664 1.00 0.00 O ATOM 602 CB GLU A 41 43.119 -30.096 -5.413 1.00 0.00 C ATOM 603 CG GLU A 41 43.873 -31.219 -4.721 1.00 0.00 C ATOM 604 CD GLU A 41 44.823 -31.945 -5.655 1.00 0.00 C ATOM 605 OE1 GLU A 41 44.353 -32.810 -6.423 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.035 -31.649 -5.617 1.00 0.00 O ATOM 0 H GLU A 41 40.741 -30.828 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 41 42.781 -28.879 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.531 -30.514 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 41 43.837 -29.407 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.436 -30.811 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.159 -31.932 -4.309 1.00 0.00 H new ATOM 613 N ILE A 42 42.231 -27.086 -5.434 1.00 0.00 N ATOM 614 CA ILE A 42 41.697 -25.936 -6.152 1.00 0.00 C ATOM 615 C ILE A 42 42.493 -25.665 -7.424 1.00 0.00 C ATOM 616 O ILE A 42 43.697 -25.917 -7.482 1.00 0.00 O ATOM 617 CB ILE A 42 41.705 -24.670 -5.275 1.00 0.00 C ATOM 618 CG1 ILE A 42 41.072 -24.963 -3.913 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.971 -23.537 -5.974 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.609 -25.339 -3.996 1.00 0.00 C ATOM 0 H ILE A 42 43.186 -26.967 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 42 40.667 -26.179 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 42 42.739 -24.363 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.621 -25.773 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 42 41.178 -24.085 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.985 -22.649 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.462 -23.315 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.939 -23.833 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.226 -25.533 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 42 39.048 -24.520 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.498 -26.235 -4.607 1.00 0.00 H new ATOM 632 N PHE A 43 41.814 -25.147 -8.442 1.00 0.00 N ATOM 633 CA PHE A 43 42.458 -24.841 -9.714 1.00 0.00 C ATOM 634 C PHE A 43 42.174 -23.401 -10.134 1.00 0.00 C ATOM 635 O PHE A 43 41.031 -23.036 -10.407 1.00 0.00 O ATOM 636 CB PHE A 43 41.976 -25.805 -10.800 1.00 0.00 C ATOM 637 CG PHE A 43 42.534 -25.502 -12.161 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.875 -24.635 -13.018 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.718 -26.085 -12.584 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.386 -24.356 -14.271 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.234 -25.809 -13.836 1.00 0.00 C ATOM 642 CZ PHE A 43 43.568 -24.942 -14.680 1.00 0.00 C ATOM 0 H PHE A 43 40.818 -24.930 -8.411 1.00 0.00 H new ATOM 0 HA PHE A 43 43.534 -24.959 -9.585 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.252 -26.822 -10.521 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.888 -25.772 -10.847 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.951 -24.172 -12.703 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.244 -26.763 -11.928 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.862 -23.680 -14.930 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.157 -26.271 -14.154 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.971 -24.723 -15.658 1.00 0.00 H new ATOM 652 N PHE A 44 43.224 -22.588 -10.182 1.00 0.00 N ATOM 653 CA PHE A 44 43.089 -21.187 -10.566 1.00 0.00 C ATOM 654 C PHE A 44 44.049 -20.840 -11.700 1.00 0.00 C ATOM 655 O PHE A 44 45.190 -21.303 -11.727 1.00 0.00 O ATOM 656 CB PHE A 44 43.351 -20.279 -9.364 1.00 0.00 C ATOM 657 CG PHE A 44 44.795 -20.231 -8.952 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.664 -19.320 -9.531 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.283 -21.096 -7.986 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.993 -19.275 -9.154 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.611 -21.055 -7.605 1.00 0.00 C ATOM 662 CZ PHE A 44 47.467 -20.142 -8.189 1.00 0.00 C ATOM 0 H PHE A 44 44.177 -22.875 -9.960 1.00 0.00 H new ATOM 0 HA PHE A 44 42.069 -21.028 -10.916 1.00 0.00 H new ATOM 0 HB2 PHE A 44 43.016 -19.269 -9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.752 -20.624 -8.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 45.299 -18.638 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 44 44.618 -21.811 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.661 -18.562 -9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 44 46.979 -21.736 -6.852 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.505 -20.106 -7.892 1.00 0.00 H new ATOM 672 N HIS A 45 43.580 -20.021 -12.636 1.00 0.00 N ATOM 673 CA HIS A 45 44.396 -19.610 -13.772 1.00 0.00 C ATOM 674 C HIS A 45 45.167 -18.332 -13.454 1.00 0.00 C ATOM 675 O HIS A 45 44.748 -17.536 -12.613 1.00 0.00 O ATOM 676 CB HIS A 45 43.519 -19.397 -15.007 1.00 0.00 C ATOM 677 CG HIS A 45 44.143 -19.887 -16.277 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.223 -19.121 -17.420 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.720 -21.074 -16.579 1.00 0.00 C ATOM 680 CE1 HIS A 45 44.821 -19.816 -18.372 1.00 0.00 C ATOM 681 NE2 HIS A 45 45.133 -21.004 -17.887 1.00 0.00 N ATOM 0 H HIS A 45 42.638 -19.629 -12.630 1.00 0.00 H new ATOM 0 HA HIS A 45 45.114 -20.404 -13.978 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.567 -19.908 -14.859 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.298 -18.334 -15.107 1.00 0.00 H new ATOM 0 HD2 HIS A 45 44.834 -21.918 -15.915 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.021 -19.471 -19.376 1.00 0.00 H new ATOM 0 HE2 HIS A 45 45.604 -21.749 -18.400 1.00 0.00 H new ATOM 689 N TYR A 46 46.293 -18.143 -14.132 1.00 0.00 N ATOM 690 CA TYR A 46 47.124 -16.964 -13.919 1.00 0.00 C ATOM 691 C TYR A 46 46.350 -15.688 -14.236 1.00 0.00 C ATOM 692 O TYR A 46 46.474 -14.683 -13.536 1.00 0.00 O ATOM 693 CB TYR A 46 48.383 -17.038 -14.785 1.00 0.00 C ATOM 694 CG TYR A 46 49.579 -17.618 -14.065 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.468 -18.787 -13.322 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.821 -16.997 -14.126 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.558 -19.320 -12.661 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.916 -17.524 -13.471 1.00 0.00 C ATOM 699 CZ TYR A 46 51.780 -18.686 -12.740 1.00 0.00 C ATOM 700 OH TYR A 46 52.869 -19.213 -12.084 1.00 0.00 O ATOM 0 H TYR A 46 46.651 -18.791 -14.834 1.00 0.00 H new ATOM 0 HA TYR A 46 47.414 -16.940 -12.869 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.172 -17.642 -15.667 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.631 -16.037 -15.137 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.513 -19.288 -13.260 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.931 -16.086 -14.696 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.454 -20.228 -12.086 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.874 -17.029 -13.531 1.00 0.00 H new ATOM 0 HH TYR A 46 52.998 -20.144 -12.360 1.00 0.00 H new ATOM 710 N SER A 47 45.550 -15.736 -15.297 1.00 0.00 N ATOM 711 CA SER A 47 44.758 -14.584 -15.710 1.00 0.00 C ATOM 712 C SER A 47 43.690 -14.258 -14.670 1.00 0.00 C ATOM 713 O SER A 47 43.273 -13.109 -14.533 1.00 0.00 O ATOM 714 CB SER A 47 44.101 -14.851 -17.066 1.00 0.00 C ATOM 715 OG SER A 47 44.704 -14.075 -18.086 1.00 0.00 O ATOM 0 H SER A 47 45.434 -16.561 -15.886 1.00 0.00 H new ATOM 0 HA SER A 47 45.426 -13.727 -15.800 1.00 0.00 H new ATOM 0 HB2 SER A 47 44.185 -15.909 -17.312 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.037 -14.620 -17.010 1.00 0.00 H new ATOM 0 HG SER A 47 44.268 -14.265 -18.943 1.00 0.00 H new ATOM 721 N GLU A 48 43.253 -15.280 -13.939 1.00 0.00 N ATOM 722 CA GLU A 48 42.233 -15.102 -12.912 1.00 0.00 C ATOM 723 C GLU A 48 42.831 -14.478 -11.654 1.00 0.00 C ATOM 724 O GLU A 48 42.135 -13.814 -10.886 1.00 0.00 O ATOM 725 CB GLU A 48 41.584 -16.444 -12.570 1.00 0.00 C ATOM 726 CG GLU A 48 40.872 -17.093 -13.745 1.00 0.00 C ATOM 727 CD GLU A 48 39.389 -16.781 -13.774 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.029 -15.641 -14.135 1.00 0.00 O ATOM 729 OE2 GLU A 48 38.587 -17.677 -13.434 1.00 0.00 O ATOM 0 H GLU A 48 43.589 -16.238 -14.039 1.00 0.00 H new ATOM 0 HA GLU A 48 41.472 -14.428 -13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.350 -17.125 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.870 -16.297 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.329 -16.753 -14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.011 -18.173 -13.698 1.00 0.00 H new ATOM 736 N PHE A 49 44.126 -14.697 -11.451 1.00 0.00 N ATOM 737 CA PHE A 49 44.819 -14.158 -10.286 1.00 0.00 C ATOM 738 C PHE A 49 45.126 -12.675 -10.473 1.00 0.00 C ATOM 739 O PHE A 49 45.690 -12.271 -11.490 1.00 0.00 O ATOM 740 CB PHE A 49 46.115 -14.931 -10.034 1.00 0.00 C ATOM 741 CG PHE A 49 46.743 -14.630 -8.703 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.458 -13.460 -8.509 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.618 -15.518 -7.647 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.038 -13.181 -7.286 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.196 -15.244 -6.421 1.00 0.00 C ATOM 746 CZ PHE A 49 47.906 -14.073 -6.240 1.00 0.00 C ATOM 0 H PHE A 49 44.717 -15.244 -12.078 1.00 0.00 H new ATOM 0 HA PHE A 49 44.164 -14.269 -9.422 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.909 -16.000 -10.096 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.828 -14.697 -10.825 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.564 -12.758 -9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.063 -16.434 -7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.594 -12.266 -7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.092 -15.945 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.357 -13.856 -5.283 1.00 0.00 H new ATOM 756 N SER A 50 44.750 -11.870 -9.485 1.00 0.00 N ATOM 757 CA SER A 50 44.981 -10.431 -9.542 1.00 0.00 C ATOM 758 C SER A 50 46.028 -10.008 -8.516 1.00 0.00 C ATOM 759 O SER A 50 45.806 -10.105 -7.310 1.00 0.00 O ATOM 760 CB SER A 50 43.675 -9.673 -9.297 1.00 0.00 C ATOM 761 OG SER A 50 42.556 -10.535 -9.414 1.00 0.00 O ATOM 0 H SER A 50 44.284 -12.189 -8.636 1.00 0.00 H new ATOM 0 HA SER A 50 45.353 -10.187 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.691 -9.226 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.585 -8.856 -10.013 1.00 0.00 H new ATOM 0 HG SER A 50 41.734 -10.027 -9.251 1.00 0.00 H new ATOM 767 N GLY A 51 47.171 -9.537 -9.006 1.00 0.00 N ATOM 768 CA GLY A 51 48.236 -9.106 -8.120 1.00 0.00 C ATOM 769 C GLY A 51 49.602 -9.569 -8.587 1.00 0.00 C ATOM 770 O GLY A 51 50.045 -9.214 -9.679 1.00 0.00 O ATOM 0 H GLY A 51 47.378 -9.446 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.229 -8.018 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.048 -9.491 -7.118 1.00 0.00 H new ATOM 774 N ASP A 52 50.272 -10.362 -7.757 1.00 0.00 N ATOM 775 CA ASP A 52 51.596 -10.874 -8.091 1.00 0.00 C ATOM 776 C ASP A 52 51.632 -12.395 -7.990 1.00 0.00 C ATOM 777 O ASP A 52 51.925 -12.951 -6.931 1.00 0.00 O ATOM 778 CB ASP A 52 52.650 -10.263 -7.165 1.00 0.00 C ATOM 779 CG ASP A 52 53.466 -9.184 -7.850 1.00 0.00 C ATOM 780 OD1 ASP A 52 54.202 -9.512 -8.804 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.368 -8.012 -7.431 1.00 0.00 O ATOM 0 H ASP A 52 49.920 -10.664 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 52 51.819 -10.592 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.159 -9.841 -6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.317 -11.049 -6.810 1.00 0.00 H new ATOM 786 N VAL A 53 51.331 -13.065 -9.098 1.00 0.00 N ATOM 787 CA VAL A 53 51.329 -14.522 -9.134 1.00 0.00 C ATOM 788 C VAL A 53 52.737 -15.069 -9.337 1.00 0.00 C ATOM 789 O VAL A 53 53.050 -16.181 -8.911 1.00 0.00 O ATOM 790 CB VAL A 53 50.417 -15.054 -10.256 1.00 0.00 C ATOM 791 CG1 VAL A 53 50.953 -14.647 -11.619 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.279 -16.566 -10.158 1.00 0.00 C ATOM 0 H VAL A 53 51.085 -12.621 -9.983 1.00 0.00 H new ATOM 0 HA VAL A 53 50.946 -14.862 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 53 49.428 -14.613 -10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.295 -15.032 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 53 50.995 -13.560 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 53 51.954 -15.057 -11.754 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.632 -16.925 -10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.262 -17.028 -10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.845 -16.830 -9.194 1.00 0.00 H new ATOM 802 N ASP A 54 53.583 -14.280 -9.990 1.00 0.00 N ATOM 803 CA ASP A 54 54.961 -14.684 -10.249 1.00 0.00 C ATOM 804 C ASP A 54 55.788 -14.644 -8.968 1.00 0.00 C ATOM 805 O ASP A 54 56.631 -15.511 -8.735 1.00 0.00 O ATOM 806 CB ASP A 54 55.591 -13.776 -11.306 1.00 0.00 C ATOM 807 CG ASP A 54 55.550 -14.388 -12.693 1.00 0.00 C ATOM 808 OD1 ASP A 54 54.442 -14.725 -13.161 1.00 0.00 O ATOM 809 OD2 ASP A 54 56.626 -14.528 -13.311 1.00 0.00 O ATOM 0 H ASP A 54 53.339 -13.357 -10.350 1.00 0.00 H new ATOM 0 HA ASP A 54 54.950 -15.708 -10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.068 -12.820 -11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.626 -13.570 -11.033 1.00 0.00 H new ATOM 814 N SER A 55 55.543 -13.633 -8.142 1.00 0.00 N ATOM 815 CA SER A 55 56.269 -13.477 -6.887 1.00 0.00 C ATOM 816 C SER A 55 55.822 -14.521 -5.868 1.00 0.00 C ATOM 817 O SER A 55 56.583 -14.903 -4.978 1.00 0.00 O ATOM 818 CB SER A 55 56.056 -12.072 -6.321 1.00 0.00 C ATOM 819 OG SER A 55 55.841 -11.131 -7.358 1.00 0.00 O ATOM 0 H SER A 55 54.847 -12.909 -8.319 1.00 0.00 H new ATOM 0 HA SER A 55 57.330 -13.622 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 55 55.201 -12.075 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.926 -11.778 -5.733 1.00 0.00 H new ATOM 0 HG SER A 55 55.865 -10.224 -6.987 1.00 0.00 H new ATOM 825 N LEU A 56 54.582 -14.979 -6.004 1.00 0.00 N ATOM 826 CA LEU A 56 54.032 -15.980 -5.096 1.00 0.00 C ATOM 827 C LEU A 56 54.954 -17.191 -4.997 1.00 0.00 C ATOM 828 O LEU A 56 55.774 -17.432 -5.882 1.00 0.00 O ATOM 829 CB LEU A 56 52.645 -16.418 -5.570 1.00 0.00 C ATOM 830 CG LEU A 56 51.458 -15.801 -4.830 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.146 -16.255 -5.453 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.502 -16.164 -3.353 1.00 0.00 C ATOM 0 H LEU A 56 53.939 -14.673 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 56 53.947 -15.530 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.552 -16.178 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.579 -17.502 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 56 51.524 -14.717 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.312 -15.806 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.112 -15.944 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.073 -17.341 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.649 -15.716 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.462 -17.248 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.426 -15.789 -2.913 1.00 0.00 H new ATOM 844 N GLU A 57 54.812 -17.949 -3.915 1.00 0.00 N ATOM 845 CA GLU A 57 55.632 -19.136 -3.701 1.00 0.00 C ATOM 846 C GLU A 57 54.786 -20.296 -3.184 1.00 0.00 C ATOM 847 O GLU A 57 53.562 -20.194 -3.092 1.00 0.00 O ATOM 848 CB GLU A 57 56.760 -18.833 -2.712 1.00 0.00 C ATOM 849 CG GLU A 57 57.475 -17.521 -2.989 1.00 0.00 C ATOM 850 CD GLU A 57 58.952 -17.578 -2.649 1.00 0.00 C ATOM 851 OE1 GLU A 57 59.279 -17.772 -1.459 1.00 0.00 O ATOM 852 OE2 GLU A 57 59.780 -17.430 -3.571 1.00 0.00 O ATOM 0 H GLU A 57 54.137 -17.763 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 57 56.066 -19.424 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.350 -18.808 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.486 -19.646 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.358 -17.263 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.004 -16.726 -2.412 1.00 0.00 H new ATOM 859 N LEU A 58 55.447 -21.399 -2.849 1.00 0.00 N ATOM 860 CA LEU A 58 54.757 -22.580 -2.342 1.00 0.00 C ATOM 861 C LEU A 58 54.562 -22.490 -0.832 1.00 0.00 C ATOM 862 O LEU A 58 55.519 -22.304 -0.082 1.00 0.00 O ATOM 863 CB LEU A 58 55.543 -23.844 -2.692 1.00 0.00 C ATOM 864 CG LEU A 58 55.988 -23.976 -4.149 1.00 0.00 C ATOM 865 CD1 LEU A 58 57.011 -25.092 -4.295 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.789 -24.227 -5.052 1.00 0.00 C ATOM 0 H LEU A 58 56.460 -21.500 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 58 53.776 -22.628 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.428 -23.884 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 58 54.931 -24.710 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 58 56.456 -23.040 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.316 -25.172 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.882 -24.870 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.569 -26.035 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.124 -24.318 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.292 -25.149 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.091 -23.394 -4.970 1.00 0.00 H new ATOM 878 N GLY A 59 53.314 -22.625 -0.392 1.00 0.00 N ATOM 879 CA GLY A 59 53.017 -22.558 1.027 1.00 0.00 C ATOM 880 C GLY A 59 52.374 -21.243 1.423 1.00 0.00 C ATOM 881 O GLY A 59 51.617 -21.182 2.392 1.00 0.00 O ATOM 0 H GLY A 59 52.504 -22.779 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.352 -23.379 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 59 53.937 -22.694 1.595 1.00 0.00 H new ATOM 885 N ASP A 60 52.678 -20.189 0.675 1.00 0.00 N ATOM 886 CA ASP A 60 52.126 -18.868 0.953 1.00 0.00 C ATOM 887 C ASP A 60 50.603 -18.920 1.025 1.00 0.00 C ATOM 888 O ASP A 60 49.970 -19.751 0.375 1.00 0.00 O ATOM 889 CB ASP A 60 52.564 -17.872 -0.121 1.00 0.00 C ATOM 890 CG ASP A 60 53.469 -16.787 0.431 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.671 -17.060 0.627 1.00 0.00 O ATOM 892 OD2 ASP A 60 52.974 -15.664 0.667 1.00 0.00 O ATOM 0 H ASP A 60 53.304 -20.223 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 60 52.507 -18.538 1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.084 -18.405 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.682 -17.413 -0.568 1.00 0.00 H new ATOM 897 N MET A 61 50.023 -18.028 1.821 1.00 0.00 N ATOM 898 CA MET A 61 48.574 -17.973 1.978 1.00 0.00 C ATOM 899 C MET A 61 47.942 -17.107 0.893 1.00 0.00 C ATOM 900 O MET A 61 48.550 -16.146 0.419 1.00 0.00 O ATOM 901 CB MET A 61 48.209 -17.427 3.359 1.00 0.00 C ATOM 902 CG MET A 61 47.982 -18.510 4.401 1.00 0.00 C ATOM 903 SD MET A 61 48.791 -18.145 5.971 1.00 0.00 S ATOM 904 CE MET A 61 50.509 -18.401 5.535 1.00 0.00 C ATOM 0 H MET A 61 50.533 -17.334 2.367 1.00 0.00 H new ATOM 0 HA MET A 61 48.185 -18.987 1.882 1.00 0.00 H new ATOM 0 HB2 MET A 61 49.005 -16.766 3.701 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.307 -16.821 3.274 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.911 -18.630 4.568 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.353 -19.461 4.018 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.119 -18.388 6.438 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.618 -19.364 5.037 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.837 -17.606 4.864 1.00 0.00 H new ATOM 914 N VAL A 62 46.720 -17.453 0.502 1.00 0.00 N ATOM 915 CA VAL A 62 46.006 -16.706 -0.527 1.00 0.00 C ATOM 916 C VAL A 62 44.502 -16.730 -0.279 1.00 0.00 C ATOM 917 O VAL A 62 43.992 -17.604 0.421 1.00 0.00 O ATOM 918 CB VAL A 62 46.293 -17.271 -1.931 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.710 -16.929 -2.365 1.00 0.00 C ATOM 920 CG2 VAL A 62 46.067 -18.775 -1.956 1.00 0.00 C ATOM 0 H VAL A 62 46.203 -18.246 0.882 1.00 0.00 H new ATOM 0 HA VAL A 62 46.363 -15.677 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 62 45.602 -16.811 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.894 -17.336 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.832 -15.846 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.421 -17.359 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.274 -19.158 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.733 -19.255 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 62 45.032 -18.992 -1.692 1.00 0.00 H new ATOM 930 N GLU A 63 43.796 -15.764 -0.859 1.00 0.00 N ATOM 931 CA GLU A 63 42.350 -15.674 -0.701 1.00 0.00 C ATOM 932 C GLU A 63 41.637 -16.008 -2.008 1.00 0.00 C ATOM 933 O GLU A 63 42.092 -15.632 -3.089 1.00 0.00 O ATOM 934 CB GLU A 63 41.951 -14.273 -0.233 1.00 0.00 C ATOM 935 CG GLU A 63 40.620 -14.231 0.498 1.00 0.00 C ATOM 936 CD GLU A 63 39.436 -14.198 -0.449 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.529 -13.517 -1.491 1.00 0.00 O ATOM 938 OE2 GLU A 63 38.416 -14.854 -0.148 1.00 0.00 O ATOM 0 H GLU A 63 44.203 -15.033 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 63 42.048 -16.401 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.729 -13.883 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.902 -13.611 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.538 -15.103 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.591 -13.352 1.142 1.00 0.00 H new ATOM 945 N TYR A 64 40.519 -16.716 -1.902 1.00 0.00 N ATOM 946 CA TYR A 64 39.744 -17.103 -3.075 1.00 0.00 C ATOM 947 C TYR A 64 38.314 -17.466 -2.688 1.00 0.00 C ATOM 948 O TYR A 64 37.997 -17.618 -1.508 1.00 0.00 O ATOM 949 CB TYR A 64 40.408 -18.286 -3.782 1.00 0.00 C ATOM 950 CG TYR A 64 40.591 -19.497 -2.896 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.691 -19.606 -2.053 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.665 -20.533 -2.901 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.862 -20.711 -1.242 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.828 -21.641 -2.092 1.00 0.00 C ATOM 955 CZ TYR A 64 40.928 -21.725 -1.265 1.00 0.00 C ATOM 956 OH TYR A 64 41.094 -22.828 -0.458 1.00 0.00 O ATOM 0 H TYR A 64 40.128 -17.034 -1.015 1.00 0.00 H new ATOM 0 HA TYR A 64 39.712 -16.252 -3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.806 -18.566 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.381 -17.973 -4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.424 -18.813 -2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.803 -20.471 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 64 42.723 -20.780 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 64 39.098 -22.437 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 64 41.267 -22.537 0.462 1.00 0.00 H new ATOM 966 N SER A 65 37.453 -17.603 -3.692 1.00 0.00 N ATOM 967 CA SER A 65 36.055 -17.944 -3.459 1.00 0.00 C ATOM 968 C SER A 65 35.605 -19.062 -4.394 1.00 0.00 C ATOM 969 O SER A 65 36.313 -19.423 -5.335 1.00 0.00 O ATOM 970 CB SER A 65 35.168 -16.713 -3.653 1.00 0.00 C ATOM 971 OG SER A 65 35.623 -15.923 -4.739 1.00 0.00 O ATOM 0 H SER A 65 37.700 -17.483 -4.674 1.00 0.00 H new ATOM 0 HA SER A 65 35.959 -18.293 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.140 -17.026 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 65 35.164 -16.116 -2.741 1.00 0.00 H new ATOM 0 HG SER A 65 35.039 -15.143 -4.844 1.00 0.00 H new ATOM 977 N LEU A 66 34.423 -19.607 -4.129 1.00 0.00 N ATOM 978 CA LEU A 66 33.876 -20.684 -4.947 1.00 0.00 C ATOM 979 C LEU A 66 32.537 -20.281 -5.555 1.00 0.00 C ATOM 980 O LEU A 66 31.785 -19.505 -4.966 1.00 0.00 O ATOM 981 CB LEU A 66 33.708 -21.952 -4.108 1.00 0.00 C ATOM 982 CG LEU A 66 34.924 -22.381 -3.287 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.624 -23.655 -2.512 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.134 -22.576 -4.189 1.00 0.00 C ATOM 0 H LEU A 66 33.825 -19.321 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 66 34.576 -20.882 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.869 -21.805 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.438 -22.771 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 66 35.152 -21.591 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.502 -23.944 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.786 -23.481 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.369 -24.453 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.991 -22.881 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.916 -23.347 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.363 -21.640 -4.698 1.00 0.00 H new ATOM 1117 N SER A 75 36.769 -25.001 -8.758 1.00 0.00 N ATOM 1118 CA SER A 75 37.938 -24.156 -8.974 1.00 0.00 C ATOM 1119 C SER A 75 37.756 -22.796 -8.308 1.00 0.00 C ATOM 1120 O SER A 75 36.650 -22.432 -7.907 1.00 0.00 O ATOM 1121 CB SER A 75 38.191 -23.973 -10.472 1.00 0.00 C ATOM 1122 OG SER A 75 37.154 -24.559 -11.240 1.00 0.00 O ATOM 0 HA SER A 75 38.800 -24.649 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.264 -22.911 -10.704 1.00 0.00 H new ATOM 0 HB3 SER A 75 39.146 -24.424 -10.740 1.00 0.00 H new ATOM 0 HG SER A 75 36.439 -24.866 -10.644 1.00 0.00 H new ATOM 1128 N ALA A 76 38.849 -22.049 -8.193 1.00 0.00 N ATOM 1129 CA ALA A 76 38.811 -20.729 -7.577 1.00 0.00 C ATOM 1130 C ALA A 76 38.628 -19.638 -8.627 1.00 0.00 C ATOM 1131 O ALA A 76 38.715 -19.899 -9.826 1.00 0.00 O ATOM 1132 CB ALA A 76 40.080 -20.484 -6.775 1.00 0.00 C ATOM 0 H ALA A 76 39.772 -22.336 -8.519 1.00 0.00 H new ATOM 0 HA ALA A 76 37.956 -20.695 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.038 -19.494 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.168 -21.239 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.945 -20.543 -7.436 1.00 0.00 H new ATOM 1138 N GLU A 77 38.372 -18.417 -8.167 1.00 0.00 N ATOM 1139 CA GLU A 77 38.175 -17.288 -9.069 1.00 0.00 C ATOM 1140 C GLU A 77 38.579 -15.979 -8.397 1.00 0.00 C ATOM 1141 O GLU A 77 38.358 -15.787 -7.201 1.00 0.00 O ATOM 1142 CB GLU A 77 36.715 -17.214 -9.518 1.00 0.00 C ATOM 1143 CG GLU A 77 35.743 -16.931 -8.385 1.00 0.00 C ATOM 1144 CD GLU A 77 34.297 -16.938 -8.841 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.983 -16.240 -9.827 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.479 -17.642 -8.211 1.00 0.00 O ATOM 0 H GLU A 77 38.296 -18.185 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 77 38.809 -17.439 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.615 -16.435 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.442 -18.156 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.877 -17.677 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.976 -15.962 -7.945 1.00 0.00 H new ATOM 1153 N LYS A 78 39.174 -15.081 -9.175 1.00 0.00 N ATOM 1154 CA LYS A 78 39.609 -13.789 -8.658 1.00 0.00 C ATOM 1155 C LYS A 78 40.540 -13.966 -7.463 1.00 0.00 C ATOM 1156 O LYS A 78 40.402 -13.282 -6.449 1.00 0.00 O ATOM 1157 CB LYS A 78 38.398 -12.944 -8.254 1.00 0.00 C ATOM 1158 CG LYS A 78 37.461 -12.633 -9.408 1.00 0.00 C ATOM 1159 CD LYS A 78 37.693 -11.233 -9.952 1.00 0.00 C ATOM 1160 CE LYS A 78 37.606 -11.204 -11.470 1.00 0.00 C ATOM 1161 NZ LYS A 78 36.633 -10.185 -11.951 1.00 0.00 N ATOM 0 H LYS A 78 39.366 -15.224 -10.166 1.00 0.00 H new ATOM 0 HA LYS A 78 40.156 -13.275 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.842 -13.469 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.748 -12.008 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.608 -13.363 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.428 -12.728 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 78 36.954 -10.551 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 78 38.673 -10.876 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 78 38.591 -10.991 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 78 37.312 -12.188 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 36.603 -10.197 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 35.688 -10.403 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 36.927 -9.243 -11.624 1.00 0.00 H new ATOM 1175 N VAL A 79 41.489 -14.888 -7.590 1.00 0.00 N ATOM 1176 CA VAL A 79 42.445 -15.153 -6.522 1.00 0.00 C ATOM 1177 C VAL A 79 43.385 -13.970 -6.318 1.00 0.00 C ATOM 1178 O VAL A 79 43.874 -13.381 -7.281 1.00 0.00 O ATOM 1179 CB VAL A 79 43.280 -16.413 -6.816 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.148 -16.771 -5.619 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.375 -17.576 -7.195 1.00 0.00 C ATOM 0 H VAL A 79 41.616 -15.464 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 79 41.866 -15.314 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 79 43.936 -16.203 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.730 -17.664 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.823 -15.944 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.513 -16.962 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.982 -18.458 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.692 -17.788 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.802 -17.316 -8.085 1.00 0.00 H new ATOM 1191 N ASN A 80 43.633 -13.628 -5.058 1.00 0.00 N ATOM 1192 CA ASN A 80 44.515 -12.514 -4.728 1.00 0.00 C ATOM 1193 C ASN A 80 45.379 -12.846 -3.515 1.00 0.00 C ATOM 1194 O ASN A 80 44.962 -13.588 -2.626 1.00 0.00 O ATOM 1195 CB ASN A 80 43.695 -11.252 -4.455 1.00 0.00 C ATOM 1196 CG ASN A 80 42.850 -11.371 -3.201 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.668 -11.707 -3.266 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.455 -11.094 -2.052 1.00 0.00 N ATOM 0 H ASN A 80 43.236 -14.106 -4.249 1.00 0.00 H new ATOM 0 HA ASN A 80 45.170 -12.336 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.367 -10.399 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.047 -11.051 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.937 -11.156 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.437 -10.819 -2.046 1.00 0.00 H new ATOM 1205 N LYS A 81 46.585 -12.290 -3.485 1.00 0.00 N ATOM 1206 CA LYS A 81 47.509 -12.523 -2.381 1.00 0.00 C ATOM 1207 C LYS A 81 47.050 -11.792 -1.124 1.00 0.00 C ATOM 1208 O LYS A 81 46.709 -10.609 -1.170 1.00 0.00 O ATOM 1209 CB LYS A 81 48.919 -12.067 -2.764 1.00 0.00 C ATOM 1210 CG LYS A 81 49.937 -13.194 -2.784 1.00 0.00 C ATOM 1211 CD LYS A 81 50.900 -13.096 -1.612 1.00 0.00 C ATOM 1212 CE LYS A 81 52.072 -12.180 -1.928 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.334 -12.655 -1.295 1.00 0.00 N ATOM 0 H LYS A 81 46.946 -11.674 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 81 47.524 -13.593 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.886 -11.600 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.249 -11.303 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.420 -14.153 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.496 -13.164 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.371 -12.722 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.271 -14.090 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.207 -12.122 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.849 -11.171 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 54.109 -12.004 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.214 -12.686 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.561 -13.607 -1.646 1.00 0.00 H new ATOM 1227 N THR A 82 47.045 -12.502 0.000 1.00 0.00 N ATOM 1228 CA THR A 82 46.629 -11.920 1.270 1.00 0.00 C ATOM 1229 C THR A 82 47.661 -12.183 2.360 1.00 0.00 C ATOM 1230 O THR A 82 47.310 -12.460 3.507 1.00 0.00 O ATOM 1231 CB THR A 82 45.266 -12.477 1.723 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.847 -11.826 2.928 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.345 -13.979 1.953 1.00 0.00 C ATOM 0 H THR A 82 47.324 -13.481 0.056 1.00 0.00 H new ATOM 0 HA THR A 82 46.539 -10.845 1.111 1.00 0.00 H new ATOM 0 HB THR A 82 44.539 -12.284 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.531 -11.947 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.371 -14.350 2.272 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.636 -14.474 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.085 -14.190 2.725 1.00 0.00 H new